USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 62 SER OG : rot 42:sc= -0.434 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= -0.0139 USER MOD Set 2.1: A 121 CYS SG : rot 43:sc= 0.584 USER MOD Set 2.2: A 125 ASN : amide:sc= 2.09 K(o=2.7,f=0.49) USER MOD Set 3.1: A 52 THR OG1 : rot 84:sc= 1.29 USER MOD Set 3.2: A 58 HIS : no HE2:sc= 1.21 K(o=2.5,f=-4.3!) USER MOD Set 4.1: A 48 TYR OH : rot 102:sc= 0.551 USER MOD Set 4.2: A 60 CYS SG : rot -73:sc= 1.27 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 2.47 (180deg=2.41) USER MOD Single : A 31 MET CE :methyl 152:sc= 0 (180deg=-0.0563) USER MOD Single : A 32 SER OG : rot 31:sc= 0.313 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -41:sc= 0.234 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.136 K(o=0.14,f=-0.56) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 66 SER OG : rot 180:sc= -0.141 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 80 CYS SG : rot -72:sc= -2.6! USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.11) USER MOD Single : A 87 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.22) USER MOD Single : A 88 CYS SG : rot 24:sc= 0 USER MOD Single : A 90 SER OG : rot -170:sc= 0.0886 USER MOD Single : A 94 TYR OH : rot -155:sc= 0.424 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0.72 (180deg=0.292) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= -0.0734 (180deg=-0.329) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0.168 K(o=0.17,f=-2.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 116 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.2) USER MOD Single : A 120 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.32) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0766) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 THR OG1 : rot -87:sc= 0.766 USER MOD Single : B 38 LYS NZ :NH3+ 161:sc= 2.07 (180deg=1.44) USER MOD Single : B 39 THR OG1 : rot -4:sc= 1.04 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.7) USER MOD Single : B 52 SER OG : rot -170:sc= -0.028 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.22) USER MOD Single : B 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.058) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc=-0.00648 USER MOD Single : B 68 GLN : amide:sc= -0.11 K(o=-0.11,f=-2) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.46) USER MOD Single : B 82 LYS NZ :NH3+ -140:sc= 0.73 (180deg=-0.047) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 90 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.037) USER MOD Single : B 93 HIS : no HD1:sc= 0.466 K(o=0.47,f=-1.8!) USER MOD Single : B 97 THR OG1 : rot -160:sc= -0.836 USER MOD Single : B 99 HIS : no HE2:sc= -2.66 K(o=-1.1,f=-7.7!) USER MOD Single : B 103 LYS NZ :NH3+ 151:sc= 1.06 (180deg=0.511) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.838 21.722 8.479 1.00 0.79 N ATOM 2 CA LYS A 21 -13.869 20.829 7.907 1.00 0.63 C ATOM 3 C LYS A 21 -13.227 19.543 7.406 1.00 0.53 C ATOM 4 O LYS A 21 -12.009 19.373 7.508 1.00 0.61 O ATOM 5 CB LYS A 21 -14.603 21.528 6.756 1.00 0.62 C ATOM 6 CG LYS A 21 -13.735 21.753 5.524 1.00 0.66 C ATOM 7 CD LYS A 21 -14.569 22.084 4.299 1.00 0.77 C ATOM 8 CE LYS A 21 -15.229 23.448 4.422 1.00 0.90 C ATOM 9 NZ LYS A 21 -15.824 23.903 3.137 1.00 1.10 N ATOM 0 HA LYS A 21 -14.590 20.587 8.688 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.471 20.931 6.474 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.978 22.490 7.106 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.034 22.565 5.717 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.142 20.860 5.329 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -13.936 22.064 3.412 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.334 21.320 4.162 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.006 23.406 5.185 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.492 24.177 4.757 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.262 24.837 3.269 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -15.080 23.969 2.414 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.547 23.222 2.829 1.00 1.10 H new ATOM 23 N TYR A 22 -14.045 18.637 6.879 1.00 0.49 N ATOM 24 CA TYR A 22 -13.549 17.376 6.352 1.00 0.49 C ATOM 25 C TYR A 22 -14.018 17.192 4.917 1.00 0.47 C ATOM 26 O TYR A 22 -15.066 17.714 4.527 1.00 0.57 O ATOM 27 CB TYR A 22 -14.035 16.199 7.204 1.00 0.56 C ATOM 28 CG TYR A 22 -13.689 16.319 8.670 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.379 16.527 9.079 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.675 16.220 9.644 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.059 16.638 10.415 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.363 16.330 10.986 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.052 16.537 11.364 1.00 0.65 C ATOM 34 OH TYR A 22 -12.733 16.654 12.698 1.00 0.75 O ATOM 0 H TYR A 22 -15.056 18.756 6.807 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.460 17.401 6.380 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.117 16.112 7.102 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.603 15.278 6.813 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.597 16.603 8.338 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.700 16.055 9.348 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.035 16.803 10.716 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.139 16.255 11.733 1.00 0.67 H new ATOM 0 HH TYR A 22 -13.545 16.560 13.238 1.00 0.75 H new ATOM 44 N LEU A 23 -13.240 16.459 4.137 1.00 0.41 N ATOM 45 CA LEU A 23 -13.581 16.185 2.751 1.00 0.43 C ATOM 46 C LEU A 23 -14.727 15.187 2.713 1.00 0.43 C ATOM 47 O LEU A 23 -15.750 15.413 2.065 1.00 0.52 O ATOM 48 CB LEU A 23 -12.363 15.626 2.007 1.00 0.45 C ATOM 49 CG LEU A 23 -11.111 16.507 2.044 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.903 15.745 1.523 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.327 17.771 1.232 1.00 0.70 C ATOM 0 H LEU A 23 -12.362 16.040 4.443 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.886 17.109 2.259 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.115 14.653 2.430 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.639 15.460 0.966 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.921 16.787 3.080 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.024 16.389 1.558 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.733 14.865 2.143 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.085 15.434 0.494 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.427 18.385 1.269 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.543 17.506 0.197 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.166 18.330 1.646 1.00 0.70 H new ATOM 63 N VAL A 24 -14.546 14.087 3.434 1.00 0.42 N ATOM 64 CA VAL A 24 -15.551 13.037 3.528 1.00 0.46 C ATOM 65 C VAL A 24 -15.684 12.613 4.986 1.00 0.43 C ATOM 66 O VAL A 24 -14.700 12.646 5.729 1.00 0.44 O ATOM 67 CB VAL A 24 -15.187 11.792 2.681 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.388 10.874 2.512 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.636 12.190 1.323 1.00 0.76 C ATOM 0 H VAL A 24 -13.699 13.899 3.969 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.487 13.440 3.142 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.410 11.249 3.219 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.103 10.009 1.913 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.732 10.541 3.491 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.191 11.414 2.010 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.390 11.294 0.753 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.384 12.770 0.783 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.737 12.792 1.457 1.00 0.76 H new ATOM 79 N GLU A 25 -16.890 12.247 5.399 1.00 0.45 N ATOM 80 CA GLU A 25 -17.130 11.814 6.770 1.00 0.45 C ATOM 81 C GLU A 25 -18.377 10.936 6.845 1.00 0.47 C ATOM 82 O GLU A 25 -19.438 11.310 6.342 1.00 0.55 O ATOM 83 CB GLU A 25 -17.291 13.022 7.701 1.00 0.49 C ATOM 84 CG GLU A 25 -18.271 14.067 7.187 1.00 0.56 C ATOM 85 CD GLU A 25 -18.983 14.791 8.307 1.00 0.69 C ATOM 86 OE1 GLU A 25 -20.036 14.293 8.764 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.494 15.857 8.742 1.00 0.95 O ATOM 0 H GLU A 25 -17.718 12.241 4.804 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.267 11.233 7.094 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.625 12.674 8.678 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.317 13.490 7.845 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.736 14.791 6.572 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.007 13.585 6.544 1.00 0.56 H new ATOM 94 N PHE A 26 -18.249 9.767 7.457 1.00 0.43 N ATOM 95 CA PHE A 26 -19.376 8.851 7.603 1.00 0.46 C ATOM 96 C PHE A 26 -19.177 7.938 8.806 1.00 0.45 C ATOM 97 O PHE A 26 -18.058 7.774 9.292 1.00 0.44 O ATOM 98 CB PHE A 26 -19.585 8.015 6.333 1.00 0.47 C ATOM 99 CG PHE A 26 -18.369 7.259 5.869 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.113 5.977 6.333 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.492 7.822 4.958 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.002 5.277 5.897 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.382 7.127 4.522 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.137 5.854 4.989 1.00 0.51 C ATOM 0 H PHE A 26 -17.376 9.429 7.861 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.270 9.453 7.764 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.392 7.304 6.511 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.914 8.675 5.530 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.788 5.521 7.042 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.679 8.818 4.584 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -16.812 4.280 6.267 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -15.705 7.581 3.814 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.270 5.309 4.645 1.00 0.51 H new ATOM 114 N ARG A 27 -20.264 7.356 9.287 1.00 0.47 N ATOM 115 CA ARG A 27 -20.213 6.465 10.430 1.00 0.47 C ATOM 116 C ARG A 27 -19.887 5.049 9.980 1.00 0.45 C ATOM 117 O ARG A 27 -20.574 4.482 9.129 1.00 0.46 O ATOM 118 CB ARG A 27 -21.548 6.489 11.176 1.00 0.51 C ATOM 119 CG ARG A 27 -21.867 7.838 11.807 1.00 0.55 C ATOM 120 CD ARG A 27 -23.363 8.022 12.007 1.00 0.61 C ATOM 121 NE ARG A 27 -24.062 8.252 10.742 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.272 8.804 10.645 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.929 9.189 11.732 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.828 8.971 9.452 1.00 0.77 N ATOM 0 H ARG A 27 -21.198 7.488 8.899 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.428 6.805 11.105 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.347 6.223 10.484 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.534 5.727 11.955 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.358 7.921 12.767 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.483 8.637 11.173 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.775 7.138 12.493 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.538 8.864 12.676 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.594 7.972 9.880 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.509 9.064 12.653 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.854 9.610 11.646 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.330 8.677 8.612 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.753 9.393 9.375 1.00 0.77 H new ATOM 138 N ALA A 28 -18.833 4.484 10.549 1.00 0.44 N ATOM 139 CA ALA A 28 -18.408 3.138 10.209 1.00 0.43 C ATOM 140 C ALA A 28 -17.572 2.549 11.335 1.00 0.42 C ATOM 141 O ALA A 28 -16.828 3.266 12.005 1.00 0.44 O ATOM 142 CB ALA A 28 -17.623 3.141 8.906 1.00 0.42 C ATOM 0 H ALA A 28 -18.254 4.942 11.253 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.294 2.517 10.074 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.312 2.124 8.666 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.251 3.527 8.103 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.742 3.774 9.013 1.00 0.42 H new ATOM 148 N GLY A 29 -17.700 1.247 11.537 1.00 0.43 N ATOM 149 CA GLY A 29 -16.952 0.584 12.580 1.00 0.43 C ATOM 150 C GLY A 29 -15.658 0.000 12.060 1.00 0.41 C ATOM 151 O GLY A 29 -15.600 -0.470 10.922 1.00 0.46 O ATOM 0 H GLY A 29 -18.311 0.637 10.994 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.735 1.293 13.379 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.560 -0.209 13.015 1.00 0.43 H new ATOM 155 N LYS A 30 -14.620 0.047 12.881 1.00 0.42 N ATOM 156 CA LYS A 30 -13.320 -0.490 12.501 1.00 0.42 C ATOM 157 C LYS A 30 -13.224 -1.967 12.867 1.00 0.41 C ATOM 158 O LYS A 30 -14.187 -2.558 13.363 1.00 0.45 O ATOM 159 CB LYS A 30 -12.190 0.294 13.187 1.00 0.48 C ATOM 160 CG LYS A 30 -12.211 0.205 14.709 1.00 0.54 C ATOM 161 CD LYS A 30 -11.065 0.985 15.336 1.00 0.67 C ATOM 162 CE LYS A 30 -9.856 0.102 15.600 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.728 0.870 16.192 1.00 0.60 N ATOM 0 H LYS A 30 -14.652 0.452 13.817 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.213 -0.387 11.421 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.232 -0.077 12.824 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.258 1.341 12.893 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.160 0.590 15.083 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.149 -0.840 15.013 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -10.779 1.804 14.676 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.399 1.432 16.272 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.138 -0.707 16.274 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.532 -0.358 14.667 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -7.935 0.226 16.388 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.420 1.605 15.524 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.039 1.316 17.078 1.00 0.60 H new ATOM 177 N MET A 31 -12.071 -2.561 12.610 1.00 0.43 N ATOM 178 CA MET A 31 -11.841 -3.959 12.930 1.00 0.44 C ATOM 179 C MET A 31 -10.480 -4.108 13.591 1.00 0.46 C ATOM 180 O MET A 31 -9.509 -3.478 13.175 1.00 0.55 O ATOM 181 CB MET A 31 -11.923 -4.834 11.673 1.00 0.46 C ATOM 182 CG MET A 31 -13.289 -4.822 11.002 1.00 0.47 C ATOM 183 SD MET A 31 -13.750 -6.425 10.311 1.00 0.54 S ATOM 184 CE MET A 31 -15.325 -6.019 9.549 1.00 0.61 C ATOM 0 H MET A 31 -11.275 -2.093 12.178 1.00 0.43 H new ATOM 0 HA MET A 31 -12.618 -4.293 13.618 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.174 -4.495 10.957 1.00 0.46 H new ATOM 0 HB3 MET A 31 -11.669 -5.860 11.939 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.042 -4.516 11.728 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.291 -4.076 10.207 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.502 -6.684 8.703 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.125 -6.140 10.280 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.305 -4.986 9.201 1.00 0.61 H new ATOM 194 N SER A 32 -10.415 -4.921 14.625 1.00 0.49 N ATOM 195 CA SER A 32 -9.175 -5.136 15.344 1.00 0.52 C ATOM 196 C SER A 32 -8.608 -6.517 15.038 1.00 0.52 C ATOM 197 O SER A 32 -9.322 -7.522 15.110 1.00 0.54 O ATOM 198 CB SER A 32 -9.409 -4.978 16.847 1.00 0.59 C ATOM 199 OG SER A 32 -10.634 -5.581 17.236 1.00 0.93 O ATOM 0 H SER A 32 -11.210 -5.446 14.988 1.00 0.49 H new ATOM 0 HA SER A 32 -8.450 -4.390 15.018 1.00 0.52 H new ATOM 0 HB2 SER A 32 -8.585 -5.432 17.397 1.00 0.59 H new ATOM 0 HB3 SER A 32 -9.421 -3.920 17.108 1.00 0.59 H new ATOM 0 HG SER A 32 -10.822 -6.346 16.653 1.00 0.93 H new ATOM 205 N LEU A 33 -7.333 -6.560 14.691 1.00 0.54 N ATOM 206 CA LEU A 33 -6.676 -7.817 14.382 1.00 0.56 C ATOM 207 C LEU A 33 -6.117 -8.431 15.655 1.00 0.58 C ATOM 208 O LEU A 33 -4.961 -8.213 16.007 1.00 0.63 O ATOM 209 CB LEU A 33 -5.555 -7.609 13.357 1.00 0.58 C ATOM 210 CG LEU A 33 -4.786 -8.877 12.959 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.677 -9.834 12.179 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.549 -8.512 12.149 1.00 0.67 C ATOM 0 H LEU A 33 -6.733 -5.739 14.616 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.410 -8.496 13.948 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -5.985 -7.167 12.458 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.846 -6.886 13.760 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.468 -9.384 13.870 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.108 -10.723 11.910 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.529 -10.121 12.795 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.033 -9.343 11.273 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.013 -9.420 11.874 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.849 -7.980 11.246 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.898 -7.874 12.747 1.00 0.67 H new ATOM 224 N LYS A 34 -6.955 -9.177 16.357 1.00 0.59 N ATOM 225 CA LYS A 34 -6.545 -9.816 17.596 1.00 0.63 C ATOM 226 C LYS A 34 -5.764 -11.087 17.289 1.00 0.65 C ATOM 227 O LYS A 34 -6.346 -12.141 17.020 1.00 0.68 O ATOM 228 CB LYS A 34 -7.767 -10.114 18.469 1.00 0.66 C ATOM 229 CG LYS A 34 -8.698 -8.917 18.609 1.00 0.68 C ATOM 230 CD LYS A 34 -9.557 -9.003 19.858 1.00 0.76 C ATOM 231 CE LYS A 34 -10.292 -7.693 20.106 1.00 0.84 C ATOM 232 NZ LYS A 34 -10.959 -7.670 21.431 1.00 1.01 N ATOM 0 H LYS A 34 -7.923 -9.355 16.089 1.00 0.59 H new ATOM 0 HA LYS A 34 -5.894 -9.140 18.151 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.319 -10.950 18.040 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.433 -10.427 19.458 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.108 -8.001 18.638 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.341 -8.854 17.731 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.278 -9.814 19.753 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -8.931 -9.242 20.718 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.587 -6.864 20.041 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.036 -7.541 19.324 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -11.447 -6.760 21.558 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -11.651 -8.445 21.485 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.247 -7.789 22.180 1.00 1.01 H new ATOM 246 N GLY A 35 -4.440 -10.963 17.296 1.00 0.66 N ATOM 247 CA GLY A 35 -3.576 -12.085 16.997 1.00 0.70 C ATOM 248 C GLY A 35 -3.595 -12.410 15.520 1.00 0.70 C ATOM 249 O GLY A 35 -2.799 -11.881 14.748 1.00 0.75 O ATOM 0 H GLY A 35 -3.948 -10.094 17.506 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.557 -11.856 17.309 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -3.896 -12.956 17.568 1.00 0.70 H new ATOM 253 N THR A 36 -4.521 -13.271 15.129 1.00 0.68 N ATOM 254 CA THR A 36 -4.674 -13.662 13.736 1.00 0.70 C ATOM 255 C THR A 36 -6.159 -13.718 13.374 1.00 0.68 C ATOM 256 O THR A 36 -6.538 -14.141 12.282 1.00 0.72 O ATOM 257 CB THR A 36 -4.001 -15.031 13.458 1.00 0.75 C ATOM 258 OG1 THR A 36 -3.875 -15.257 12.044 1.00 0.82 O ATOM 259 CG2 THR A 36 -4.790 -16.173 14.088 1.00 0.77 C ATOM 0 H THR A 36 -5.184 -13.716 15.763 1.00 0.68 H new ATOM 0 HA THR A 36 -4.179 -12.916 13.115 1.00 0.70 H new ATOM 0 HB THR A 36 -3.008 -15.004 13.907 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.693 -14.963 11.592 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.293 -17.119 13.875 1.00 0.77 H new ATOM 0 HG22 THR A 36 -4.844 -16.026 15.167 1.00 0.77 H new ATOM 0 HG23 THR A 36 -5.798 -16.191 13.673 1.00 0.77 H new ATOM 267 N THR A 37 -6.993 -13.270 14.303 1.00 0.66 N ATOM 268 CA THR A 37 -8.429 -13.278 14.107 1.00 0.66 C ATOM 269 C THR A 37 -8.965 -11.865 13.894 1.00 0.61 C ATOM 270 O THR A 37 -8.848 -11.004 14.772 1.00 0.61 O ATOM 271 CB THR A 37 -9.132 -13.919 15.316 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.345 -15.014 15.809 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.519 -14.413 14.940 1.00 0.81 C ATOM 0 H THR A 37 -6.693 -12.895 15.203 1.00 0.66 H new ATOM 0 HA THR A 37 -8.638 -13.866 13.214 1.00 0.66 H new ATOM 0 HB THR A 37 -9.236 -13.162 16.094 1.00 0.71 H new ATOM 0 HG1 THR A 37 -8.795 -15.419 16.580 1.00 0.79 H new ATOM 0 HG21 THR A 37 -10.994 -14.862 15.812 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.121 -13.575 14.590 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.438 -15.157 14.148 1.00 0.81 H new ATOM 281 N VAL A 38 -9.543 -11.629 12.721 1.00 0.60 N ATOM 282 CA VAL A 38 -10.110 -10.327 12.398 1.00 0.57 C ATOM 283 C VAL A 38 -11.406 -10.125 13.176 1.00 0.57 C ATOM 284 O VAL A 38 -12.455 -10.658 12.812 1.00 0.64 O ATOM 285 CB VAL A 38 -10.387 -10.178 10.883 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.765 -8.740 10.542 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.181 -10.626 10.067 1.00 0.61 C ATOM 0 H VAL A 38 -9.631 -12.323 11.979 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.380 -9.568 12.680 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.229 -10.821 10.627 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.955 -8.658 9.472 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.663 -8.459 11.093 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -9.947 -8.074 10.817 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.398 -10.513 9.005 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.317 -10.014 10.328 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.964 -11.672 10.283 1.00 0.61 H new ATOM 297 N THR A 39 -11.319 -9.366 14.257 1.00 0.56 N ATOM 298 CA THR A 39 -12.468 -9.113 15.110 1.00 0.58 C ATOM 299 C THR A 39 -12.997 -7.693 14.924 1.00 0.55 C ATOM 300 O THR A 39 -12.318 -6.722 15.261 1.00 0.55 O ATOM 301 CB THR A 39 -12.089 -9.319 16.586 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.186 -10.427 16.694 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.319 -9.580 17.437 1.00 0.74 C ATOM 0 H THR A 39 -10.459 -8.912 14.565 1.00 0.56 H new ATOM 0 HA THR A 39 -13.250 -9.817 14.826 1.00 0.58 H new ATOM 0 HB THR A 39 -11.611 -8.410 16.949 1.00 0.64 H new ATOM 0 HG1 THR A 39 -10.941 -10.559 17.634 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.020 -9.722 18.475 1.00 0.74 H new ATOM 0 HG22 THR A 39 -13.997 -8.729 17.368 1.00 0.74 H new ATOM 0 HG23 THR A 39 -13.825 -10.477 17.080 1.00 0.74 H new ATOM 311 N PRO A 40 -14.209 -7.557 14.365 1.00 0.55 N ATOM 312 CA PRO A 40 -14.837 -6.252 14.142 1.00 0.54 C ATOM 313 C PRO A 40 -15.125 -5.531 15.453 1.00 0.56 C ATOM 314 O PRO A 40 -15.431 -6.167 16.467 1.00 0.63 O ATOM 315 CB PRO A 40 -16.148 -6.590 13.422 1.00 0.56 C ATOM 316 CG PRO A 40 -15.986 -7.986 12.926 1.00 0.65 C ATOM 317 CD PRO A 40 -15.064 -8.662 13.897 1.00 0.58 C ATOM 0 HA PRO A 40 -14.192 -5.583 13.573 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -16.998 -6.511 14.099 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.332 -5.900 12.598 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -16.947 -8.498 12.879 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.569 -7.997 11.919 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.611 -9.125 14.718 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.481 -9.449 13.419 1.00 0.58 H new ATOM 325 N ASP A 41 -15.019 -4.211 15.433 1.00 0.53 N ATOM 326 CA ASP A 41 -15.272 -3.410 16.624 1.00 0.56 C ATOM 327 C ASP A 41 -16.768 -3.288 16.875 1.00 0.58 C ATOM 328 O ASP A 41 -17.579 -3.562 15.989 1.00 0.66 O ATOM 329 CB ASP A 41 -14.660 -2.020 16.474 1.00 0.57 C ATOM 330 CG ASP A 41 -14.157 -1.458 17.787 1.00 0.61 C ATOM 331 OD1 ASP A 41 -14.981 -1.201 18.694 1.00 0.64 O ATOM 332 OD2 ASP A 41 -12.930 -1.265 17.917 1.00 0.68 O ATOM 0 H ASP A 41 -14.760 -3.671 14.607 1.00 0.53 H new ATOM 0 HA ASP A 41 -14.809 -3.910 17.475 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.835 -2.066 15.763 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.405 -1.343 16.055 1.00 0.57 H new ATOM 337 N LYS A 42 -17.129 -2.866 18.074 1.00 0.61 N ATOM 338 CA LYS A 42 -18.529 -2.717 18.444 1.00 0.64 C ATOM 339 C LYS A 42 -18.840 -1.271 18.799 1.00 0.64 C ATOM 340 O LYS A 42 -19.997 -0.908 18.999 1.00 0.76 O ATOM 341 CB LYS A 42 -18.865 -3.620 19.634 1.00 0.71 C ATOM 342 CG LYS A 42 -18.447 -5.067 19.443 1.00 0.72 C ATOM 343 CD LYS A 42 -18.711 -5.889 20.691 1.00 0.84 C ATOM 344 CE LYS A 42 -18.232 -7.322 20.523 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.443 -8.125 21.754 1.00 1.08 N ATOM 0 H LYS A 42 -16.470 -2.619 18.812 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.137 -3.009 17.588 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.378 -3.226 20.526 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -19.939 -3.583 19.814 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -18.990 -5.496 18.601 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -17.387 -5.111 19.194 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -18.206 -5.433 21.543 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -19.778 -5.884 20.913 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -18.762 -7.787 19.691 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -17.173 -7.323 20.266 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.103 -9.095 21.598 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.917 -7.697 22.542 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -19.457 -8.146 21.985 1.00 1.08 H new ATOM 359 N ARG A 43 -17.806 -0.446 18.869 1.00 0.58 N ATOM 360 CA ARG A 43 -17.978 0.958 19.219 1.00 0.58 C ATOM 361 C ARG A 43 -18.397 1.787 18.009 1.00 0.55 C ATOM 362 O ARG A 43 -18.193 1.384 16.861 1.00 0.55 O ATOM 363 CB ARG A 43 -16.679 1.520 19.799 1.00 0.58 C ATOM 364 CG ARG A 43 -16.210 0.794 21.051 1.00 0.60 C ATOM 365 CD ARG A 43 -14.769 1.140 21.386 1.00 0.60 C ATOM 366 NE ARG A 43 -13.849 0.728 20.331 1.00 0.57 N ATOM 367 CZ ARG A 43 -12.682 1.324 20.090 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.291 2.351 20.832 1.00 0.62 N ATOM 369 NH2 ARG A 43 -11.909 0.893 19.103 1.00 0.57 N ATOM 0 H ARG A 43 -16.841 -0.722 18.689 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.769 1.018 19.966 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -15.897 1.463 19.041 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.821 2.575 20.032 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -16.854 1.059 21.890 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.303 -0.282 20.906 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.682 2.215 21.544 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.488 0.656 22.322 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.115 -0.062 19.744 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -12.884 2.687 21.590 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.397 2.805 20.644 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.208 0.105 18.528 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.016 1.349 18.918 1.00 0.57 H new ATOM 383 N LYS A 44 -18.997 2.938 18.277 1.00 0.57 N ATOM 384 CA LYS A 44 -19.426 3.845 17.223 1.00 0.56 C ATOM 385 C LYS A 44 -18.240 4.671 16.749 1.00 0.53 C ATOM 386 O LYS A 44 -17.552 5.301 17.557 1.00 0.59 O ATOM 387 CB LYS A 44 -20.538 4.762 17.734 1.00 0.62 C ATOM 388 CG LYS A 44 -21.835 4.036 18.053 1.00 0.70 C ATOM 389 CD LYS A 44 -22.868 4.985 18.641 1.00 0.79 C ATOM 390 CE LYS A 44 -24.241 4.339 18.692 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.258 5.228 19.311 1.00 1.07 N ATOM 0 H LYS A 44 -19.198 3.267 19.221 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.815 3.264 16.387 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.190 5.275 18.631 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -20.737 5.529 16.985 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.232 3.580 17.146 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.638 3.227 18.757 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.564 5.280 19.645 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -22.913 5.894 18.042 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.556 4.079 17.681 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.182 3.409 19.257 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.179 4.745 19.324 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.973 5.457 20.285 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.335 6.105 18.758 1.00 1.07 H new ATOM 405 N GLY A 45 -17.997 4.677 15.450 1.00 0.52 N ATOM 406 CA GLY A 45 -16.874 5.423 14.930 1.00 0.51 C ATOM 407 C GLY A 45 -17.222 6.247 13.714 1.00 0.48 C ATOM 408 O GLY A 45 -18.222 5.995 13.040 1.00 0.50 O ATOM 0 H GLY A 45 -18.552 4.183 14.751 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.490 6.081 15.710 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.072 4.730 14.675 1.00 0.51 H new ATOM 412 N LEU A 46 -16.397 7.241 13.447 1.00 0.46 N ATOM 413 CA LEU A 46 -16.592 8.115 12.311 1.00 0.45 C ATOM 414 C LEU A 46 -15.329 8.165 11.465 1.00 0.41 C ATOM 415 O LEU A 46 -14.256 8.525 11.952 1.00 0.42 O ATOM 416 CB LEU A 46 -16.956 9.525 12.780 1.00 0.47 C ATOM 417 CG LEU A 46 -17.103 10.560 11.663 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.563 10.733 11.284 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.493 11.886 12.087 1.00 0.59 C ATOM 0 H LEU A 46 -15.576 7.463 14.010 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.410 7.721 11.708 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.893 9.476 13.335 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.191 9.869 13.475 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.566 10.202 10.785 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.647 11.473 10.488 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.964 9.781 10.938 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.127 11.070 12.154 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.605 12.612 11.282 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.001 12.252 12.979 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.434 11.746 12.305 1.00 0.59 H new ATOM 431 N VAL A 47 -15.458 7.779 10.212 1.00 0.40 N ATOM 432 CA VAL A 47 -14.340 7.799 9.289 1.00 0.39 C ATOM 433 C VAL A 47 -14.340 9.125 8.551 1.00 0.37 C ATOM 434 O VAL A 47 -15.301 9.453 7.852 1.00 0.40 O ATOM 435 CB VAL A 47 -14.409 6.646 8.264 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.171 6.643 7.377 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.572 5.302 8.961 1.00 0.43 C ATOM 0 H VAL A 47 -16.332 7.445 9.807 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.424 7.672 9.866 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.285 6.807 7.635 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.238 5.824 6.661 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.106 7.589 6.840 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.282 6.514 7.994 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.618 4.508 8.215 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.723 5.130 9.622 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.492 5.304 9.545 1.00 0.43 H new ATOM 447 N TYR A 48 -13.278 9.894 8.707 1.00 0.37 N ATOM 448 CA TYR A 48 -13.201 11.190 8.055 1.00 0.37 C ATOM 449 C TYR A 48 -11.897 11.356 7.288 1.00 0.34 C ATOM 450 O TYR A 48 -10.861 10.802 7.664 1.00 0.36 O ATOM 451 CB TYR A 48 -13.360 12.322 9.081 1.00 0.43 C ATOM 452 CG TYR A 48 -12.176 12.495 10.013 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.066 11.749 11.178 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.176 13.417 9.727 1.00 0.46 C ATOM 455 CE1 TYR A 48 -10.987 11.910 12.027 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.095 13.583 10.569 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.008 12.831 11.719 1.00 0.64 C ATOM 458 OH TYR A 48 -8.931 12.994 12.560 1.00 0.78 O ATOM 0 H TYR A 48 -12.465 9.649 9.272 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.020 11.244 7.338 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.527 13.258 8.548 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.252 12.132 9.678 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.835 11.032 11.425 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.246 14.014 8.830 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.911 11.318 12.927 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.323 14.298 10.327 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.152 12.531 12.187 1.00 0.78 H new ATOM 468 N ILE A 49 -11.970 12.111 6.207 1.00 0.33 N ATOM 469 CA ILE A 49 -10.813 12.391 5.376 1.00 0.32 C ATOM 470 C ILE A 49 -10.533 13.886 5.401 1.00 0.30 C ATOM 471 O ILE A 49 -11.396 14.688 5.039 1.00 0.35 O ATOM 472 CB ILE A 49 -11.031 11.931 3.918 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.331 10.432 3.866 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.812 12.256 3.064 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.682 9.929 2.483 1.00 0.69 C ATOM 0 H ILE A 49 -12.832 12.547 5.880 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.964 11.837 5.776 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.889 12.470 3.516 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.463 9.884 4.233 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.156 10.212 4.543 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.986 11.924 2.040 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.639 13.332 3.072 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.938 11.745 3.468 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.882 8.858 2.525 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.568 10.450 2.121 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.849 10.116 1.805 1.00 0.69 H new ATOM 487 N GLN A 50 -9.347 14.264 5.841 1.00 0.30 N ATOM 488 CA GLN A 50 -8.980 15.671 5.920 1.00 0.33 C ATOM 489 C GLN A 50 -7.656 15.919 5.209 1.00 0.30 C ATOM 490 O GLN A 50 -6.882 14.989 4.992 1.00 0.36 O ATOM 491 CB GLN A 50 -8.880 16.105 7.383 1.00 0.42 C ATOM 492 CG GLN A 50 -9.005 17.605 7.582 1.00 0.51 C ATOM 493 CD GLN A 50 -8.885 18.015 9.034 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.166 17.391 9.815 1.00 0.82 O ATOM 495 NE2 GLN A 50 -9.602 19.061 9.402 1.00 0.86 N ATOM 0 H GLN A 50 -8.620 13.619 6.150 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.753 16.260 5.426 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.661 15.605 7.956 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.924 15.772 7.788 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -8.233 18.110 7.001 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.966 17.940 7.193 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -10.183 19.547 8.719 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -9.574 19.383 10.369 1.00 0.86 H new ATOM 504 N GLN A 51 -7.395 17.164 4.843 1.00 0.37 N ATOM 505 CA GLN A 51 -6.154 17.503 4.167 1.00 0.37 C ATOM 506 C GLN A 51 -5.422 18.606 4.916 1.00 0.39 C ATOM 507 O GLN A 51 -5.987 19.668 5.195 1.00 0.51 O ATOM 508 CB GLN A 51 -6.422 17.941 2.729 1.00 0.44 C ATOM 509 CG GLN A 51 -5.159 18.115 1.901 1.00 0.52 C ATOM 510 CD GLN A 51 -5.449 18.567 0.487 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.410 19.291 0.238 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.622 18.134 -0.449 1.00 0.93 N ATOM 0 H GLN A 51 -8.022 17.952 5.002 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.527 16.612 4.149 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.064 17.204 2.247 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.971 18.882 2.741 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.509 18.844 2.385 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.615 17.171 1.872 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.836 17.534 -0.198 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.770 18.400 -1.423 1.00 0.93 H new ATOM 521 N THR A 52 -4.172 18.345 5.252 1.00 0.38 N ATOM 522 CA THR A 52 -3.357 19.308 5.963 1.00 0.45 C ATOM 523 C THR A 52 -2.669 20.265 4.980 1.00 0.36 C ATOM 524 O THR A 52 -2.732 20.059 3.766 1.00 0.33 O ATOM 525 CB THR A 52 -2.325 18.574 6.835 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.045 17.290 6.261 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.852 18.390 8.251 1.00 0.80 C ATOM 0 H THR A 52 -3.698 17.467 5.041 1.00 0.38 H new ATOM 0 HA THR A 52 -3.997 19.905 6.612 1.00 0.45 H new ATOM 0 HB THR A 52 -1.414 19.171 6.876 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.359 17.384 5.567 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.107 17.869 8.852 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.056 19.365 8.693 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.771 17.804 8.224 1.00 0.80 H new ATOM 535 N ASP A 53 -2.015 21.305 5.495 1.00 0.40 N ATOM 536 CA ASP A 53 -1.347 22.298 4.638 1.00 0.41 C ATOM 537 C ASP A 53 -0.160 21.703 3.884 1.00 0.39 C ATOM 538 O ASP A 53 0.324 22.284 2.914 1.00 0.52 O ATOM 539 CB ASP A 53 -0.882 23.506 5.458 1.00 0.52 C ATOM 540 CG ASP A 53 0.349 23.221 6.297 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.188 22.738 7.438 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.477 23.496 5.835 1.00 0.74 O ATOM 0 H ASP A 53 -1.930 21.486 6.495 1.00 0.40 H new ATOM 0 HA ASP A 53 -2.085 22.623 3.904 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.670 24.335 4.783 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.693 23.827 6.112 1.00 0.52 H new ATOM 547 N ASP A 54 0.283 20.535 4.308 1.00 0.42 N ATOM 548 CA ASP A 54 1.416 19.866 3.678 1.00 0.55 C ATOM 549 C ASP A 54 0.967 19.043 2.472 1.00 0.45 C ATOM 550 O ASP A 54 1.755 18.287 1.899 1.00 0.52 O ATOM 551 CB ASP A 54 2.131 18.971 4.693 1.00 0.73 C ATOM 552 CG ASP A 54 1.159 18.201 5.562 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.132 17.730 5.034 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.407 18.076 6.783 1.00 1.10 O ATOM 0 H ASP A 54 -0.124 20.023 5.091 1.00 0.42 H new ATOM 0 HA ASP A 54 2.109 20.630 3.327 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.777 18.270 4.165 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.774 19.583 5.325 1.00 0.73 H new ATOM 559 N SER A 55 -0.303 19.202 2.096 1.00 0.36 N ATOM 560 CA SER A 55 -0.890 18.500 0.956 1.00 0.40 C ATOM 561 C SER A 55 -0.989 16.994 1.208 1.00 0.37 C ATOM 562 O SER A 55 -1.051 16.197 0.266 1.00 0.52 O ATOM 563 CB SER A 55 -0.084 18.777 -0.319 1.00 0.57 C ATOM 564 OG SER A 55 -0.057 20.164 -0.614 1.00 0.66 O ATOM 0 H SER A 55 -0.954 19.823 2.576 1.00 0.36 H new ATOM 0 HA SER A 55 -1.903 18.880 0.823 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.934 18.408 -0.197 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.522 18.232 -1.155 1.00 0.57 H new ATOM 0 HG SER A 55 0.464 20.315 -1.430 1.00 0.66 H new ATOM 570 N LEU A 56 -1.010 16.608 2.476 1.00 0.28 N ATOM 571 CA LEU A 56 -1.118 15.206 2.835 1.00 0.31 C ATOM 572 C LEU A 56 -2.562 14.863 3.197 1.00 0.27 C ATOM 573 O LEU A 56 -3.219 15.593 3.942 1.00 0.30 O ATOM 574 CB LEU A 56 -0.190 14.873 4.005 1.00 0.38 C ATOM 575 CG LEU A 56 1.304 15.076 3.734 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.118 14.750 4.975 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.763 14.226 2.561 1.00 0.48 C ATOM 0 H LEU A 56 -0.954 17.246 3.270 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.817 14.608 1.975 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.474 15.488 4.859 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.353 13.834 4.292 1.00 0.38 H new ATOM 0 HG LEU A 56 1.463 16.123 3.478 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.177 14.899 4.765 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.814 15.405 5.792 1.00 0.49 H new ATOM 0 HD13 LEU A 56 1.948 13.712 5.260 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.827 14.388 2.389 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.587 13.174 2.784 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.204 14.506 1.668 1.00 0.48 H new ATOM 589 N ILE A 57 -3.054 13.760 2.651 1.00 0.27 N ATOM 590 CA ILE A 57 -4.416 13.319 2.911 1.00 0.26 C ATOM 591 C ILE A 57 -4.464 12.457 4.169 1.00 0.24 C ATOM 592 O ILE A 57 -3.817 11.414 4.243 1.00 0.29 O ATOM 593 CB ILE A 57 -4.982 12.523 1.718 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.856 13.330 0.416 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.433 12.140 1.975 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.666 14.614 0.402 1.00 0.57 C ATOM 0 H ILE A 57 -2.528 13.153 2.023 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.030 14.208 3.057 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.399 11.609 1.608 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.806 13.573 0.252 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.172 12.704 -0.419 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.817 11.579 1.123 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.493 11.524 2.872 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -7.028 13.042 2.113 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.523 15.124 -0.551 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.722 14.379 0.533 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.335 15.262 1.214 1.00 0.57 H new ATOM 608 N HIS A 58 -5.229 12.895 5.156 1.00 0.25 N ATOM 609 CA HIS A 58 -5.343 12.175 6.412 1.00 0.27 C ATOM 610 C HIS A 58 -6.610 11.330 6.469 1.00 0.27 C ATOM 611 O HIS A 58 -7.725 11.839 6.328 1.00 0.33 O ATOM 612 CB HIS A 58 -5.325 13.142 7.595 1.00 0.32 C ATOM 613 CG HIS A 58 -3.948 13.519 8.044 1.00 0.39 C ATOM 614 ND1 HIS A 58 -3.279 12.863 9.055 1.00 0.51 N ATOM 615 CD2 HIS A 58 -3.119 14.501 7.621 1.00 0.48 C ATOM 616 CE1 HIS A 58 -2.097 13.425 9.233 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.978 14.421 8.377 1.00 0.59 N ATOM 0 H HIS A 58 -5.783 13.750 5.110 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.483 11.508 6.474 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.869 14.046 7.322 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.859 12.690 8.431 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.640 12.068 9.583 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.319 15.214 6.835 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.355 13.121 9.956 1.00 0.61 H new ATOM 626 N PHE A 59 -6.414 10.040 6.658 1.00 0.27 N ATOM 627 CA PHE A 59 -7.505 9.090 6.781 1.00 0.28 C ATOM 628 C PHE A 59 -7.511 8.585 8.215 1.00 0.31 C ATOM 629 O PHE A 59 -6.698 7.731 8.580 1.00 0.36 O ATOM 630 CB PHE A 59 -7.300 7.935 5.799 1.00 0.31 C ATOM 631 CG PHE A 59 -8.500 7.049 5.616 1.00 0.45 C ATOM 632 CD1 PHE A 59 -8.696 5.944 6.428 1.00 0.63 C ATOM 633 CD2 PHE A 59 -9.419 7.307 4.612 1.00 0.69 C ATOM 634 CE1 PHE A 59 -9.788 5.120 6.248 1.00 0.84 C ATOM 635 CE2 PHE A 59 -10.516 6.488 4.428 1.00 0.92 C ATOM 636 CZ PHE A 59 -10.696 5.390 5.245 1.00 0.94 C ATOM 0 H PHE A 59 -5.488 9.618 6.731 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.460 9.559 6.546 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.017 8.345 4.830 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.464 7.326 6.144 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -7.986 5.725 7.211 1.00 0.63 H new ATOM 0 HD2 PHE A 59 -9.276 8.160 3.965 1.00 0.69 H new ATOM 0 HE1 PHE A 59 -9.932 4.265 6.892 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -11.230 6.706 3.648 1.00 0.92 H new ATOM 0 HZ PHE A 59 -11.548 4.742 5.099 1.00 0.94 H new ATOM 646 N CYS A 60 -8.393 9.122 9.036 1.00 0.33 N ATOM 647 CA CYS A 60 -8.428 8.733 10.435 1.00 0.38 C ATOM 648 C CYS A 60 -9.801 8.244 10.889 1.00 0.38 C ATOM 649 O CYS A 60 -10.829 8.556 10.284 1.00 0.40 O ATOM 650 CB CYS A 60 -7.989 9.911 11.306 1.00 0.43 C ATOM 651 SG CYS A 60 -7.166 11.241 10.400 1.00 0.46 S ATOM 0 H CYS A 60 -9.086 9.819 8.765 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.741 7.894 10.547 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.864 10.319 11.812 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.315 9.544 12.080 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.973 10.857 10.053 1.00 0.46 H new ATOM 657 N TRP A 61 -9.788 7.465 11.961 1.00 0.39 N ATOM 658 CA TRP A 61 -11.001 6.924 12.558 1.00 0.39 C ATOM 659 C TRP A 61 -11.208 7.573 13.920 1.00 0.42 C ATOM 660 O TRP A 61 -10.367 7.435 14.814 1.00 0.45 O ATOM 661 CB TRP A 61 -10.891 5.400 12.705 1.00 0.40 C ATOM 662 CG TRP A 61 -12.177 4.723 13.092 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.191 4.351 12.258 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.578 4.325 14.408 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.197 3.751 12.974 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.845 3.722 14.296 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.990 4.418 15.673 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.531 3.217 15.398 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.675 3.916 16.765 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.933 3.321 16.620 1.00 0.52 C ATOM 0 H TRP A 61 -8.933 7.189 12.443 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.854 7.140 11.914 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.542 4.980 11.762 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.134 5.172 13.455 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.201 4.506 11.189 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.066 3.386 12.584 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.018 4.874 15.795 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.503 2.759 15.289 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.231 3.985 17.747 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.441 2.937 17.492 1.00 0.52 H new ATOM 681 N LYS A 62 -12.307 8.290 14.072 1.00 0.46 N ATOM 682 CA LYS A 62 -12.598 8.975 15.322 1.00 0.50 C ATOM 683 C LYS A 62 -13.678 8.246 16.119 1.00 0.51 C ATOM 684 O LYS A 62 -14.726 7.888 15.576 1.00 0.51 O ATOM 685 CB LYS A 62 -13.041 10.415 15.038 1.00 0.57 C ATOM 686 CG LYS A 62 -13.254 11.258 16.286 1.00 0.63 C ATOM 687 CD LYS A 62 -13.624 12.693 15.931 1.00 0.75 C ATOM 688 CE LYS A 62 -13.850 13.532 17.177 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.989 14.979 16.862 1.00 1.04 N ATOM 0 H LYS A 62 -13.013 8.414 13.347 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.687 8.985 15.920 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.291 10.897 14.411 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.968 10.392 14.466 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.044 10.817 16.894 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.346 11.253 16.889 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.830 13.137 15.331 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.526 12.697 15.319 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.748 13.185 17.689 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.016 13.390 17.865 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.142 15.513 17.742 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.123 15.318 16.397 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.800 15.120 16.227 1.00 1.04 H new ATOM 703 N ASP A 63 -13.407 8.029 17.401 1.00 0.53 N ATOM 704 CA ASP A 63 -14.354 7.369 18.297 1.00 0.55 C ATOM 705 C ASP A 63 -15.483 8.345 18.613 1.00 0.57 C ATOM 706 O ASP A 63 -15.227 9.489 18.991 1.00 0.62 O ATOM 707 CB ASP A 63 -13.636 6.930 19.582 1.00 0.61 C ATOM 708 CG ASP A 63 -14.484 6.047 20.481 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.566 6.488 20.907 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.051 4.918 20.794 1.00 1.09 O ATOM 0 H ASP A 63 -12.532 8.303 17.848 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.768 6.480 17.822 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.726 6.394 19.314 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.332 7.816 20.139 1.00 0.61 H new ATOM 715 N ARG A 64 -16.724 7.906 18.456 1.00 0.58 N ATOM 716 CA ARG A 64 -17.876 8.775 18.689 1.00 0.61 C ATOM 717 C ARG A 64 -18.273 8.848 20.161 1.00 0.66 C ATOM 718 O ARG A 64 -19.176 9.603 20.525 1.00 0.75 O ATOM 719 CB ARG A 64 -19.072 8.302 17.863 1.00 0.63 C ATOM 720 CG ARG A 64 -18.868 8.425 16.364 1.00 0.63 C ATOM 721 CD ARG A 64 -20.180 8.270 15.617 1.00 0.65 C ATOM 722 NE ARG A 64 -21.146 9.293 16.006 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.464 9.114 16.034 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.000 7.943 15.697 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.251 10.117 16.398 1.00 1.14 N ATOM 0 H ARG A 64 -16.962 6.956 18.169 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.578 9.777 18.379 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.282 7.261 18.108 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.951 8.880 18.149 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.427 9.395 16.133 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.163 7.666 16.027 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.997 8.331 14.544 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.597 7.282 15.814 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.785 10.208 16.275 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.399 7.170 15.413 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -24.012 7.819 15.723 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -22.845 11.017 16.654 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.263 9.989 16.422 1.00 1.14 H new ATOM 739 N THR A 65 -17.612 8.076 21.001 1.00 0.68 N ATOM 740 CA THR A 65 -17.923 8.068 22.421 1.00 0.74 C ATOM 741 C THR A 65 -16.914 8.899 23.212 1.00 0.75 C ATOM 742 O THR A 65 -17.288 9.686 24.087 1.00 0.83 O ATOM 743 CB THR A 65 -17.949 6.629 22.969 1.00 0.76 C ATOM 744 OG1 THR A 65 -17.875 5.691 21.885 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.214 6.380 23.772 1.00 0.93 C ATOM 0 H THR A 65 -16.857 7.447 20.728 1.00 0.68 H new ATOM 0 HA THR A 65 -18.911 8.512 22.540 1.00 0.74 H new ATOM 0 HB THR A 65 -17.088 6.497 23.625 1.00 0.76 H new ATOM 0 HG1 THR A 65 -16.954 5.648 21.552 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.210 5.357 24.149 1.00 0.93 H new ATOM 0 HG22 THR A 65 -19.256 7.076 24.610 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.085 6.528 23.134 1.00 0.93 H new ATOM 753 N SER A 66 -15.636 8.731 22.901 1.00 0.71 N ATOM 754 CA SER A 66 -14.586 9.470 23.590 1.00 0.75 C ATOM 755 C SER A 66 -14.208 10.731 22.818 1.00 0.73 C ATOM 756 O SER A 66 -13.811 11.739 23.407 1.00 0.79 O ATOM 757 CB SER A 66 -13.354 8.586 23.780 1.00 0.75 C ATOM 758 OG SER A 66 -12.934 8.030 22.545 1.00 0.75 O ATOM 0 H SER A 66 -15.302 8.092 22.179 1.00 0.71 H new ATOM 0 HA SER A 66 -14.967 9.767 24.567 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.544 9.173 24.213 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.581 7.786 24.485 1.00 0.75 H new ATOM 0 HG SER A 66 -12.143 7.470 22.691 1.00 0.75 H new ATOM 764 N GLY A 67 -14.344 10.669 21.498 1.00 0.67 N ATOM 765 CA GLY A 67 -14.000 11.802 20.662 1.00 0.67 C ATOM 766 C GLY A 67 -12.522 11.819 20.333 1.00 0.65 C ATOM 767 O GLY A 67 -12.006 12.800 19.799 1.00 0.70 O ATOM 0 H GLY A 67 -14.687 9.852 20.992 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.579 11.764 19.739 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.271 12.727 21.171 1.00 0.67 H new ATOM 771 N ASN A 68 -11.847 10.718 20.647 1.00 0.63 N ATOM 772 CA ASN A 68 -10.415 10.594 20.397 1.00 0.63 C ATOM 773 C ASN A 68 -10.163 9.868 19.079 1.00 0.58 C ATOM 774 O ASN A 68 -10.979 9.050 18.647 1.00 0.58 O ATOM 775 CB ASN A 68 -9.730 9.839 21.548 1.00 0.68 C ATOM 776 CG ASN A 68 -9.909 10.516 22.900 1.00 0.85 C ATOM 777 OD1 ASN A 68 -10.098 11.729 22.983 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.842 9.733 23.967 1.00 1.01 N ATOM 0 H ASN A 68 -12.271 9.896 21.077 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.993 11.597 20.333 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.131 8.827 21.600 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.665 9.749 21.332 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.949 10.132 24.900 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.684 8.732 23.856 1.00 1.01 H new ATOM 785 N VAL A 69 -9.051 10.186 18.434 1.00 0.56 N ATOM 786 CA VAL A 69 -8.689 9.554 17.174 1.00 0.53 C ATOM 787 C VAL A 69 -7.822 8.331 17.446 1.00 0.51 C ATOM 788 O VAL A 69 -6.734 8.446 18.013 1.00 0.59 O ATOM 789 CB VAL A 69 -7.932 10.525 16.244 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.625 9.860 14.911 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.732 11.800 16.030 1.00 0.63 C ATOM 0 H VAL A 69 -8.381 10.881 18.764 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.610 9.258 16.672 1.00 0.53 H new ATOM 0 HB VAL A 69 -6.989 10.789 16.723 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.091 10.561 14.269 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.007 8.978 15.078 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.557 9.564 14.429 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.179 12.470 15.371 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.692 11.555 15.576 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.899 12.290 16.989 1.00 0.63 H new ATOM 801 N GLU A 70 -8.309 7.163 17.055 1.00 0.49 N ATOM 802 CA GLU A 70 -7.577 5.922 17.279 1.00 0.51 C ATOM 803 C GLU A 70 -6.515 5.694 16.216 1.00 0.50 C ATOM 804 O GLU A 70 -5.325 5.591 16.521 1.00 0.62 O ATOM 805 CB GLU A 70 -8.530 4.728 17.294 1.00 0.55 C ATOM 806 CG GLU A 70 -9.509 4.742 18.451 1.00 0.81 C ATOM 807 CD GLU A 70 -9.666 3.376 19.084 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.578 2.353 18.361 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.875 3.310 20.313 1.00 0.71 O ATOM 0 H GLU A 70 -9.205 7.047 16.582 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.086 6.014 18.248 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.088 4.709 16.358 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.946 3.809 17.336 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.169 5.453 19.204 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.480 5.091 18.099 1.00 0.81 H new ATOM 816 N ASP A 71 -6.947 5.621 14.968 1.00 0.47 N ATOM 817 CA ASP A 71 -6.032 5.368 13.868 1.00 0.46 C ATOM 818 C ASP A 71 -5.995 6.536 12.903 1.00 0.43 C ATOM 819 O ASP A 71 -7.027 7.146 12.617 1.00 0.46 O ATOM 820 CB ASP A 71 -6.441 4.097 13.119 1.00 0.51 C ATOM 821 CG ASP A 71 -6.397 2.865 13.999 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.283 2.420 14.352 1.00 0.73 O ATOM 823 OD2 ASP A 71 -7.478 2.334 14.345 1.00 0.61 O ATOM 0 H ASP A 71 -7.923 5.733 14.692 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.035 5.237 14.289 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.449 4.221 12.723 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.779 3.953 12.265 1.00 0.51 H new ATOM 828 N ASP A 72 -4.805 6.838 12.406 1.00 0.43 N ATOM 829 CA ASP A 72 -4.604 7.928 11.458 1.00 0.42 C ATOM 830 C ASP A 72 -3.513 7.563 10.458 1.00 0.42 C ATOM 831 O ASP A 72 -2.390 7.232 10.846 1.00 0.52 O ATOM 832 CB ASP A 72 -4.221 9.220 12.184 1.00 0.48 C ATOM 833 CG ASP A 72 -3.562 10.233 11.263 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.275 10.871 10.462 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.323 10.391 11.334 1.00 1.05 O ATOM 0 H ASP A 72 -3.951 6.336 12.647 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.542 8.090 10.927 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.114 9.663 12.626 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.543 8.984 13.004 1.00 0.48 H new ATOM 840 N LEU A 73 -3.846 7.618 9.180 1.00 0.36 N ATOM 841 CA LEU A 73 -2.893 7.295 8.129 1.00 0.38 C ATOM 842 C LEU A 73 -2.914 8.361 7.043 1.00 0.34 C ATOM 843 O LEU A 73 -3.930 9.022 6.828 1.00 0.42 O ATOM 844 CB LEU A 73 -3.209 5.929 7.514 1.00 0.44 C ATOM 845 CG LEU A 73 -2.826 4.718 8.364 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.343 3.442 7.727 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.314 4.647 8.544 1.00 0.92 C ATOM 0 H LEU A 73 -4.771 7.884 8.843 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.899 7.261 8.575 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.278 5.882 7.308 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.696 5.855 6.555 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.285 4.827 9.347 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.063 2.588 8.344 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.429 3.490 7.646 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.909 3.330 6.733 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.060 3.778 9.152 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.835 4.560 7.569 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.964 5.552 9.040 1.00 0.92 H new ATOM 859 N ILE A 74 -1.789 8.530 6.372 1.00 0.29 N ATOM 860 CA ILE A 74 -1.682 9.502 5.297 1.00 0.28 C ATOM 861 C ILE A 74 -1.736 8.776 3.955 1.00 0.30 C ATOM 862 O ILE A 74 -0.815 8.050 3.595 1.00 0.51 O ATOM 863 CB ILE A 74 -0.388 10.326 5.417 1.00 0.30 C ATOM 864 CG1 ILE A 74 -0.336 11.018 6.783 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.301 11.346 4.292 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.034 11.544 7.152 1.00 0.59 C ATOM 0 H ILE A 74 -0.933 8.005 6.553 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.518 10.198 5.367 1.00 0.28 H new ATOM 0 HB ILE A 74 0.468 9.656 5.333 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.045 11.846 6.787 1.00 0.43 H new ATOM 0 HG13 ILE A 74 -0.663 10.314 7.549 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.620 11.920 4.392 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.305 10.830 3.332 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -1.156 12.020 4.345 1.00 0.33 H new ATOM 0 HD11 ILE A 74 0.989 12.020 8.132 1.00 0.59 H new ATOM 0 HD12 ILE A 74 1.745 10.718 7.182 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.356 12.273 6.409 1.00 0.59 H new ATOM 878 N ILE A 75 -2.822 8.975 3.228 1.00 0.24 N ATOM 879 CA ILE A 75 -3.043 8.301 1.954 1.00 0.23 C ATOM 880 C ILE A 75 -2.311 8.965 0.784 1.00 0.24 C ATOM 881 O ILE A 75 -2.117 10.185 0.759 1.00 0.26 O ATOM 882 CB ILE A 75 -4.553 8.235 1.647 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.310 7.627 2.835 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.812 7.432 0.385 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.938 6.187 3.133 1.00 0.31 C ATOM 0 H ILE A 75 -3.575 9.606 3.501 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.632 7.297 2.059 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.915 9.250 1.484 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.119 8.232 3.722 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.380 7.681 2.636 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.884 7.399 0.188 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.303 7.902 -0.456 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.436 6.417 0.516 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.516 5.831 3.986 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -5.155 5.568 2.263 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.875 6.126 3.365 1.00 0.31 H new ATOM 897 N PHE A 76 -1.905 8.131 -0.176 1.00 0.27 N ATOM 898 CA PHE A 76 -1.212 8.576 -1.380 1.00 0.31 C ATOM 899 C PHE A 76 -1.759 7.818 -2.592 1.00 0.32 C ATOM 900 O PHE A 76 -2.258 6.697 -2.446 1.00 0.35 O ATOM 901 CB PHE A 76 0.298 8.334 -1.267 1.00 0.34 C ATOM 902 CG PHE A 76 0.940 8.999 -0.087 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.284 10.339 -0.130 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.205 8.278 1.061 1.00 0.40 C ATOM 905 CE1 PHE A 76 1.882 10.948 0.955 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.801 8.878 2.150 1.00 0.50 C ATOM 907 CZ PHE A 76 2.142 10.217 2.096 1.00 0.58 C ATOM 0 H PHE A 76 -2.050 7.122 -0.136 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.382 9.646 -1.500 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.479 7.261 -1.208 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.781 8.689 -2.177 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.082 10.914 -1.022 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.942 7.231 1.106 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.146 11.994 0.911 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.001 8.304 3.043 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.611 10.690 2.946 1.00 0.58 H new ATOM 917 N PRO A 77 -1.682 8.408 -3.799 1.00 0.36 N ATOM 918 CA PRO A 77 -2.179 7.770 -5.028 1.00 0.38 C ATOM 919 C PRO A 77 -1.292 6.614 -5.497 1.00 0.33 C ATOM 920 O PRO A 77 -0.261 6.330 -4.887 1.00 0.33 O ATOM 921 CB PRO A 77 -2.159 8.906 -6.064 1.00 0.45 C ATOM 922 CG PRO A 77 -1.886 10.157 -5.299 1.00 0.55 C ATOM 923 CD PRO A 77 -1.127 9.741 -4.075 1.00 0.44 C ATOM 0 HA PRO A 77 -3.164 7.328 -4.875 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.390 8.734 -6.817 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.111 8.971 -6.590 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.306 10.860 -5.897 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.815 10.659 -5.029 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.053 9.705 -4.256 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.287 10.428 -3.244 1.00 0.44 H new ATOM 931 N ASP A 78 -1.711 5.963 -6.593 1.00 0.40 N ATOM 932 CA ASP A 78 -0.994 4.821 -7.196 1.00 0.46 C ATOM 933 C ASP A 78 -0.689 3.748 -6.152 1.00 0.45 C ATOM 934 O ASP A 78 0.297 3.013 -6.273 1.00 0.60 O ATOM 935 CB ASP A 78 0.323 5.241 -7.906 1.00 0.53 C ATOM 936 CG ASP A 78 0.499 6.737 -8.070 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.197 7.338 -8.918 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.366 7.315 -7.371 1.00 1.36 O ATOM 0 H ASP A 78 -2.564 6.214 -7.093 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.664 4.414 -7.953 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.167 4.849 -7.339 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.355 4.774 -8.890 1.00 0.53 H new ATOM 943 N ASP A 79 -1.544 3.630 -5.140 1.00 0.53 N ATOM 944 CA ASP A 79 -1.309 2.656 -4.085 1.00 0.61 C ATOM 945 C ASP A 79 -2.582 2.254 -3.348 1.00 0.59 C ATOM 946 O ASP A 79 -3.063 1.133 -3.493 1.00 1.11 O ATOM 947 CB ASP A 79 -0.305 3.215 -3.078 1.00 0.80 C ATOM 948 CG ASP A 79 0.696 2.177 -2.633 1.00 1.12 C ATOM 949 OD1 ASP A 79 0.384 1.399 -1.706 1.00 1.74 O ATOM 950 OD2 ASP A 79 1.805 2.139 -3.214 1.00 1.44 O ATOM 0 H ASP A 79 -2.391 4.187 -5.030 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.916 1.762 -4.569 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.223 4.058 -3.524 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.840 3.597 -2.209 1.00 0.80 H new ATOM 955 N CYS A 80 -3.119 3.174 -2.560 1.00 0.50 N ATOM 956 CA CYS A 80 -4.309 2.907 -1.758 1.00 0.46 C ATOM 957 C CYS A 80 -5.540 2.594 -2.608 1.00 0.43 C ATOM 958 O CYS A 80 -5.749 3.175 -3.677 1.00 0.60 O ATOM 959 CB CYS A 80 -4.578 4.099 -0.844 1.00 0.63 C ATOM 960 SG CYS A 80 -3.146 4.575 0.151 1.00 0.90 S ATOM 0 H CYS A 80 -2.748 4.119 -2.457 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.113 2.015 -1.163 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.889 4.950 -1.450 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.409 3.859 -0.181 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.946 3.685 1.077 1.00 0.90 H new ATOM 966 N GLU A 81 -6.340 1.652 -2.123 1.00 0.34 N ATOM 967 CA GLU A 81 -7.555 1.236 -2.801 1.00 0.39 C ATOM 968 C GLU A 81 -8.652 0.940 -1.780 1.00 0.36 C ATOM 969 O GLU A 81 -8.430 0.208 -0.814 1.00 0.45 O ATOM 970 CB GLU A 81 -7.277 -0.005 -3.650 1.00 0.49 C ATOM 971 CG GLU A 81 -8.506 -0.570 -4.340 1.00 0.74 C ATOM 972 CD GLU A 81 -8.244 -1.925 -4.952 1.00 0.94 C ATOM 973 OE1 GLU A 81 -8.378 -2.942 -4.238 1.00 1.15 O ATOM 974 OE2 GLU A 81 -7.887 -1.980 -6.147 1.00 1.32 O ATOM 0 H GLU A 81 -6.162 1.157 -1.249 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.892 2.043 -3.452 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.531 0.244 -4.405 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.842 -0.777 -3.015 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.320 -0.650 -3.620 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.834 0.120 -5.117 1.00 0.74 H new ATOM 981 N PHE A 82 -9.824 1.518 -1.988 1.00 0.34 N ATOM 982 CA PHE A 82 -10.950 1.315 -1.086 1.00 0.32 C ATOM 983 C PHE A 82 -12.165 0.839 -1.869 1.00 0.33 C ATOM 984 O PHE A 82 -12.705 1.578 -2.692 1.00 0.42 O ATOM 985 CB PHE A 82 -11.275 2.621 -0.352 1.00 0.35 C ATOM 986 CG PHE A 82 -12.361 2.496 0.681 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.184 1.699 1.799 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.556 3.187 0.538 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.177 1.590 2.754 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.551 3.080 1.490 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.361 2.281 2.599 1.00 0.43 C ATOM 0 H PHE A 82 -10.022 2.134 -2.776 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.684 0.554 -0.352 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.370 2.987 0.132 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.571 3.372 -1.084 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.259 1.156 1.926 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.710 3.815 -0.327 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -13.026 0.964 3.621 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.477 3.621 1.367 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.138 2.197 3.344 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.588 -0.391 -1.627 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.738 -0.936 -2.329 1.00 0.38 C ATOM 1003 C LYS A 83 -14.597 -1.796 -1.408 1.00 0.37 C ATOM 1004 O LYS A 83 -14.174 -2.182 -0.316 1.00 0.38 O ATOM 1005 CB LYS A 83 -13.293 -1.743 -3.557 1.00 0.46 C ATOM 1006 CG LYS A 83 -12.390 -2.928 -3.246 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.849 -3.554 -4.525 1.00 0.69 C ATOM 1008 CE LYS A 83 -11.231 -4.922 -4.276 1.00 1.06 C ATOM 1009 NZ LYS A 83 -10.017 -4.842 -3.421 1.00 1.44 N ATOM 0 H LYS A 83 -12.157 -1.026 -0.956 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.346 -0.097 -2.666 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -14.180 -2.106 -4.077 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.771 -1.076 -4.243 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.561 -2.603 -2.617 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.946 -3.674 -2.679 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -12.656 -3.648 -5.251 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.101 -2.893 -4.963 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -11.967 -5.570 -3.800 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.972 -5.381 -5.230 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -9.358 -5.603 -3.682 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.555 -3.921 -3.560 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -10.288 -4.946 -2.422 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.810 -2.078 -1.859 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.759 -2.881 -1.104 1.00 0.43 C ATOM 1025 C ARG A 84 -16.557 -4.366 -1.389 1.00 0.44 C ATOM 1026 O ARG A 84 -16.299 -4.756 -2.528 1.00 0.49 O ATOM 1027 CB ARG A 84 -18.179 -2.461 -1.486 1.00 0.47 C ATOM 1028 CG ARG A 84 -19.281 -3.271 -0.829 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.598 -3.088 -1.565 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.486 -3.439 -2.982 1.00 0.71 N ATOM 1031 CZ ARG A 84 -20.866 -4.609 -3.495 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -21.397 -5.538 -2.709 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -20.705 -4.850 -4.790 1.00 0.96 N ATOM 0 H ARG A 84 -16.164 -1.756 -2.760 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.599 -2.717 -0.038 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -18.315 -1.411 -1.226 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.287 -2.538 -2.568 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -19.007 -4.326 -0.821 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -19.394 -2.963 0.210 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.364 -3.707 -1.097 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.925 -2.052 -1.472 1.00 0.61 H new ATOM 0 HE ARG A 84 -20.092 -2.744 -3.617 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -21.514 -5.356 -1.712 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -21.688 -6.433 -3.102 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.290 -4.140 -5.393 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -20.996 -5.746 -5.182 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.651 -5.185 -0.346 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.507 -6.628 -0.488 1.00 0.49 C ATOM 1049 C VAL A 85 -17.789 -7.216 -1.074 1.00 0.55 C ATOM 1050 O VAL A 85 -18.859 -7.110 -0.469 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.205 -7.312 0.866 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.967 -8.804 0.678 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -15.005 -6.667 1.537 1.00 0.50 C ATOM 0 H VAL A 85 -16.827 -4.872 0.609 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.665 -6.813 -1.155 1.00 0.49 H new ATOM 0 HB VAL A 85 -17.074 -7.181 1.511 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.757 -9.263 1.644 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.856 -9.262 0.244 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -15.118 -8.956 0.011 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.810 -7.163 2.488 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.132 -6.763 0.891 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.211 -5.611 1.714 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.708 -7.824 -2.263 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.878 -8.405 -2.928 1.00 0.69 C ATOM 1065 C PRO A 86 -19.323 -9.734 -2.313 1.00 0.68 C ATOM 1066 O PRO A 86 -20.507 -10.078 -2.344 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.389 -8.607 -4.359 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.915 -8.789 -4.252 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.474 -7.982 -3.062 1.00 0.64 C ATOM 0 HA PRO A 86 -19.756 -7.764 -2.841 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.860 -9.477 -4.816 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.634 -7.748 -4.983 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.662 -9.841 -4.123 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.415 -8.449 -5.159 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.695 -8.495 -2.498 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.066 -7.017 -3.363 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.379 -10.469 -1.738 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.680 -11.764 -1.136 1.00 0.70 C ATOM 1079 C GLN A 87 -19.103 -11.614 0.323 1.00 0.70 C ATOM 1080 O GLN A 87 -18.562 -12.272 1.214 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.471 -12.693 -1.238 1.00 0.78 C ATOM 1082 CG GLN A 87 -17.032 -12.984 -2.667 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.194 -13.245 -3.609 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.631 -12.355 -4.340 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.708 -14.465 -3.598 1.00 1.21 N ATOM 0 H GLN A 87 -17.399 -10.192 -1.675 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.513 -12.201 -1.687 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.637 -12.248 -0.696 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.707 -13.635 -0.742 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.452 -12.140 -3.041 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.371 -13.850 -2.668 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -18.320 -15.176 -2.979 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.492 -14.693 -4.209 1.00 1.21 H new ATOM 1094 N CYS A 88 -20.078 -10.753 0.555 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.587 -10.511 1.892 1.00 0.71 C ATOM 1096 C CYS A 88 -22.103 -10.370 1.859 1.00 0.71 C ATOM 1097 O CYS A 88 -22.636 -9.521 1.141 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.962 -9.248 2.481 1.00 0.73 C ATOM 1099 SG CYS A 88 -18.432 -9.529 3.406 1.00 1.44 S ATOM 0 H CYS A 88 -20.536 -10.205 -0.173 1.00 0.73 H new ATOM 0 HA CYS A 88 -20.321 -11.360 2.521 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.759 -8.547 1.671 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.688 -8.772 3.140 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.869 -10.625 2.991 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.817 -11.214 2.626 1.00 0.75 N ATOM 1106 CA PRO A 89 -24.287 -11.178 2.686 1.00 0.79 C ATOM 1107 C PRO A 89 -24.811 -9.833 3.179 1.00 0.74 C ATOM 1108 O PRO A 89 -25.949 -9.447 2.892 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.635 -12.286 3.684 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.437 -13.171 3.728 1.00 0.92 C ATOM 1111 CD PRO A 89 -22.255 -12.280 3.479 1.00 0.81 C ATOM 0 HA PRO A 89 -24.737 -11.319 1.703 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.854 -11.873 4.669 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.519 -12.838 3.365 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -23.354 -13.668 4.695 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.502 -13.953 2.972 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.848 -11.881 4.408 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.446 -12.813 2.979 1.00 0.81 H new ATOM 1119 N SER A 90 -23.978 -9.137 3.931 1.00 0.71 N ATOM 1120 CA SER A 90 -24.319 -7.830 4.454 1.00 0.71 C ATOM 1121 C SER A 90 -24.230 -6.788 3.341 1.00 0.65 C ATOM 1122 O SER A 90 -25.158 -6.010 3.119 1.00 0.72 O ATOM 1123 CB SER A 90 -23.364 -7.480 5.594 1.00 0.75 C ATOM 1124 OG SER A 90 -22.076 -8.033 5.350 1.00 0.85 O ATOM 0 H SER A 90 -23.048 -9.463 4.195 1.00 0.71 H new ATOM 0 HA SER A 90 -25.340 -7.840 4.836 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.289 -6.397 5.694 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.758 -7.861 6.536 1.00 0.75 H new ATOM 0 HG SER A 90 -21.522 -7.939 6.153 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.099 -6.792 2.643 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.887 -5.866 1.545 1.00 0.60 C ATOM 1132 C GLY A 91 -22.473 -4.485 2.009 1.00 0.57 C ATOM 1133 O GLY A 91 -22.313 -3.573 1.198 1.00 0.64 O ATOM 0 H GLY A 91 -22.319 -7.426 2.820 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.120 -6.266 0.882 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.804 -5.788 0.961 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.282 -4.329 3.309 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.898 -3.041 3.870 1.00 0.51 C ATOM 1139 C ARG A 92 -20.486 -3.095 4.429 1.00 0.48 C ATOM 1140 O ARG A 92 -20.047 -2.183 5.129 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.879 -2.619 4.959 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.324 -2.677 4.509 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.207 -1.790 5.359 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.983 -0.379 5.084 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.456 0.602 5.838 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.190 0.327 6.908 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.215 1.860 5.510 1.00 0.60 N ATOM 0 H ARG A 92 -22.386 -5.076 3.996 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.924 -2.302 3.069 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.749 -3.264 5.828 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.644 -1.604 5.278 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.394 -2.369 3.466 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.681 -3.705 4.562 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.253 -2.034 5.174 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -25.015 -1.989 6.413 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.430 -0.131 4.264 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.392 -0.642 7.153 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.553 1.085 7.486 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.666 2.074 4.678 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.578 2.617 6.089 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.781 -4.174 4.123 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.411 -4.343 4.577 1.00 0.45 C ATOM 1163 C VAL A 93 -17.452 -3.861 3.498 1.00 0.41 C ATOM 1164 O VAL A 93 -17.389 -4.431 2.405 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.100 -5.817 4.931 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.667 -5.963 5.425 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -19.082 -6.335 5.976 1.00 0.56 C ATOM 0 H VAL A 93 -20.137 -4.947 3.561 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.283 -3.750 5.482 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.211 -6.415 4.027 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.471 -7.007 5.668 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.978 -5.636 4.646 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.525 -5.350 6.315 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.848 -7.373 6.212 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -19.004 -5.731 6.880 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -20.097 -6.272 5.584 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.728 -2.801 3.801 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.781 -2.226 2.864 1.00 0.37 C ATOM 1179 C TYR A 94 -14.362 -2.500 3.334 1.00 0.35 C ATOM 1180 O TYR A 94 -14.137 -2.746 4.519 1.00 0.37 O ATOM 1181 CB TYR A 94 -16.023 -0.722 2.723 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.293 -0.378 1.975 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.543 -0.657 2.512 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.239 0.224 0.726 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.702 -0.349 1.825 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.394 0.538 0.035 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.621 0.248 0.585 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.768 0.555 -0.105 1.00 0.53 O ATOM 0 H TYR A 94 -16.778 -2.316 4.697 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.920 -2.687 1.886 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.064 -0.275 3.716 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.175 -0.273 2.206 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.611 -1.123 3.484 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.279 0.451 0.287 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.666 -0.575 2.257 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.333 1.010 -0.935 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.572 0.595 -1.064 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.409 -2.470 2.417 1.00 0.34 N ATOM 1199 CA VAL A 95 -12.026 -2.739 2.776 1.00 0.33 C ATOM 1200 C VAL A 95 -11.050 -1.773 2.108 1.00 0.31 C ATOM 1201 O VAL A 95 -11.127 -1.505 0.904 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.635 -4.201 2.434 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.927 -4.517 0.973 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.169 -4.470 2.759 1.00 0.38 C ATOM 0 H VAL A 95 -13.564 -2.265 1.430 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.954 -2.591 3.853 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.244 -4.859 3.053 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.644 -5.548 0.760 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.991 -4.386 0.778 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.355 -3.844 0.334 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.924 -5.502 2.509 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.538 -3.797 2.179 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.996 -4.303 3.822 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.156 -1.232 2.918 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.122 -0.333 2.449 1.00 0.30 C ATOM 1216 C LEU A 96 -7.816 -1.112 2.394 1.00 0.30 C ATOM 1217 O LEU A 96 -7.259 -1.480 3.430 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.988 0.880 3.380 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.836 1.834 3.050 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.096 2.572 1.743 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.622 2.822 4.185 1.00 0.44 C ATOM 0 H LEU A 96 -10.129 -1.406 3.923 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.378 0.046 1.460 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.922 1.442 3.355 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.860 0.521 4.401 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.930 1.241 2.929 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.263 3.243 1.532 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.196 1.851 0.932 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.015 3.151 1.829 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.800 3.492 3.934 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.531 3.404 4.337 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.381 2.279 5.099 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.348 -1.391 1.195 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.127 -2.156 1.032 1.00 0.33 C ATOM 1235 C LYS A 97 -5.059 -1.339 0.320 1.00 0.26 C ATOM 1236 O LYS A 97 -5.345 -0.621 -0.638 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.412 -3.447 0.250 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.174 -4.297 -0.012 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.478 -5.470 -0.929 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.203 -6.055 -1.521 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.460 -5.062 -2.348 1.00 0.89 N ATOM 0 H LYS A 97 -7.791 -1.102 0.323 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.754 -2.413 2.023 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.139 -4.042 0.803 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.872 -3.188 -0.704 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.396 -3.678 -0.459 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.781 -4.668 0.935 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.010 -6.241 -0.372 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -6.138 -5.144 -1.733 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.559 -6.409 -0.716 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.453 -6.921 -2.134 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.776 -5.558 -2.954 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -4.131 -4.534 -2.942 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.955 -4.400 -1.725 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.833 -1.451 0.803 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.709 -0.751 0.208 1.00 0.30 C ATOM 1257 C PHE A 98 -2.039 -1.669 -0.807 1.00 0.33 C ATOM 1258 O PHE A 98 -2.326 -2.871 -0.843 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.709 -0.326 1.289 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.256 0.691 2.258 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.189 0.329 3.219 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.833 2.011 2.209 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.690 1.262 4.109 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.332 2.947 3.097 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.260 2.572 4.047 1.00 0.77 C ATOM 0 H PHE A 98 -3.591 -2.024 1.611 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.064 0.150 -0.293 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.391 -1.209 1.844 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.821 0.085 0.808 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.529 -0.695 3.273 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.106 2.311 1.469 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.416 0.966 4.851 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.995 3.972 3.047 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.649 3.302 4.741 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.160 -1.122 -1.631 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.477 -1.930 -2.628 1.00 0.48 C ATOM 1277 C LYS A 99 0.998 -2.078 -2.292 1.00 0.54 C ATOM 1278 O LYS A 99 1.590 -3.132 -2.531 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.668 -1.345 -4.032 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.058 -1.604 -4.595 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.188 -1.106 -6.022 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.595 -1.328 -6.556 1.00 0.91 C ATOM 1283 NZ LYS A 99 -3.693 -1.016 -8.006 1.00 1.11 N ATOM 0 H LYS A 99 -0.905 -0.134 -1.630 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.922 -2.925 -2.617 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.488 -0.270 -4.000 1.00 0.54 H new ATOM 0 HB3 LYS A 99 0.076 -1.773 -4.703 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.271 -2.673 -4.562 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.802 -1.111 -3.969 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -1.944 -0.044 -6.063 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.469 -1.623 -6.657 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -3.888 -2.364 -6.387 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.296 -0.704 -6.002 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -4.667 -1.180 -8.331 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.438 -0.020 -8.165 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.043 -1.629 -8.538 1.00 1.11 H new ATOM 1297 N ALA A 100 1.592 -1.029 -1.743 1.00 0.55 N ATOM 1298 CA ALA A 100 2.992 -1.068 -1.359 1.00 0.63 C ATOM 1299 C ALA A 100 3.136 -1.686 0.024 1.00 0.62 C ATOM 1300 O ALA A 100 3.311 -0.987 1.020 1.00 1.36 O ATOM 1301 CB ALA A 100 3.601 0.320 -1.396 1.00 0.89 C ATOM 0 H ALA A 100 1.126 -0.142 -1.554 1.00 0.55 H new ATOM 0 HA ALA A 100 3.532 -1.687 -2.075 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.650 0.265 -1.105 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.526 0.724 -2.406 1.00 0.89 H new ATOM 0 HB3 ALA A 100 3.066 0.971 -0.704 1.00 0.89 H new ATOM 1307 N GLY A 101 3.030 -3.003 0.073 1.00 0.78 N ATOM 1308 CA GLY A 101 3.140 -3.711 1.327 1.00 0.83 C ATOM 1309 C GLY A 101 1.919 -4.563 1.596 1.00 0.73 C ATOM 1310 O GLY A 101 1.099 -4.781 0.700 1.00 1.06 O ATOM 0 H GLY A 101 2.869 -3.597 -0.740 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.028 -4.342 1.312 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.271 -2.996 2.139 1.00 0.83 H new ATOM 1314 N SER A 102 1.792 -5.041 2.821 1.00 0.51 N ATOM 1315 CA SER A 102 0.663 -5.870 3.204 1.00 0.48 C ATOM 1316 C SER A 102 -0.131 -5.199 4.320 1.00 0.52 C ATOM 1317 O SER A 102 0.218 -5.316 5.499 1.00 1.13 O ATOM 1318 CB SER A 102 1.151 -7.245 3.656 1.00 0.60 C ATOM 1319 OG SER A 102 2.170 -7.730 2.795 1.00 1.00 O ATOM 0 H SER A 102 2.461 -4.868 3.571 1.00 0.51 H new ATOM 0 HA SER A 102 0.011 -5.995 2.340 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.530 -7.183 4.676 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.316 -7.946 3.668 1.00 0.60 H new ATOM 0 HG SER A 102 2.468 -8.611 3.105 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.186 -4.491 3.946 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.016 -3.802 4.920 1.00 0.42 C ATOM 1327 C LYS A 103 -3.474 -3.790 4.478 1.00 0.39 C ATOM 1328 O LYS A 103 -3.809 -3.269 3.411 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.515 -2.372 5.126 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.073 -1.711 6.374 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.328 -0.429 6.709 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.819 0.175 8.016 1.00 0.93 C ATOM 1333 NZ LYS A 103 -1.605 -0.737 9.174 1.00 1.17 N ATOM 0 H LYS A 103 -1.486 -4.379 2.978 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.949 -4.339 5.866 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.427 -2.381 5.185 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.782 -1.772 4.256 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.130 -1.490 6.228 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.005 -2.402 7.214 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.260 -0.635 6.781 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.460 0.291 5.902 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.300 1.116 8.197 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.880 0.408 7.930 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -1.695 -0.200 10.060 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -2.316 -1.495 9.155 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.654 -1.153 9.117 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.330 -4.388 5.294 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.756 -4.449 5.012 1.00 0.38 C ATOM 1349 C ARG A 104 -6.553 -3.866 6.175 1.00 0.37 C ATOM 1350 O ARG A 104 -6.320 -4.219 7.335 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.187 -5.899 4.774 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.746 -6.477 3.437 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.666 -7.995 3.499 1.00 0.86 C ATOM 1354 NE ARG A 104 -5.843 -8.625 2.189 1.00 1.11 N ATOM 1355 CZ ARG A 104 -5.273 -9.781 1.834 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -4.495 -10.434 2.686 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -5.495 -10.287 0.627 1.00 1.70 N ATOM 0 H ARG A 104 -4.057 -4.842 6.166 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.954 -3.863 4.114 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.785 -6.520 5.574 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.273 -5.957 4.840 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.448 -6.178 2.658 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.773 -6.069 3.163 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -4.700 -8.287 3.910 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.429 -8.367 4.183 1.00 0.86 H new ATOM 0 HE ARG A 104 -6.437 -8.154 1.507 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -4.329 -10.055 3.618 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -4.063 -11.316 2.409 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -6.100 -9.794 -0.029 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -5.060 -11.169 0.356 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.473 -2.965 5.866 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.314 -2.344 6.881 1.00 0.34 C ATOM 1373 C LEU A 105 -9.785 -2.488 6.505 1.00 0.33 C ATOM 1374 O LEU A 105 -10.235 -1.920 5.511 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.951 -0.867 7.044 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.543 -0.595 7.581 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.143 0.846 7.312 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.475 -0.901 9.072 1.00 0.82 C ATOM 0 H LEU A 105 -7.658 -2.645 4.915 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.144 -2.850 7.831 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.054 -0.375 6.077 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.674 -0.404 7.716 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.841 -1.249 7.064 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.140 1.024 7.700 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.155 1.033 6.238 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.846 1.517 7.805 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.468 -0.703 9.439 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.186 -0.270 9.606 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.722 -1.949 9.240 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.525 -3.258 7.287 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.939 -3.482 7.025 1.00 0.34 C ATOM 1392 C PHE A 106 -12.803 -2.525 7.836 1.00 0.35 C ATOM 1393 O PHE A 106 -12.537 -2.276 9.011 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.317 -4.930 7.347 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.829 -5.926 6.335 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.543 -6.438 6.412 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.659 -6.356 5.311 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -10.094 -7.358 5.485 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -12.214 -7.277 4.381 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.930 -7.778 4.469 1.00 0.52 C ATOM 0 H PHE A 106 -10.168 -3.740 8.112 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.120 -3.294 5.967 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.912 -5.192 8.325 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.402 -5.004 7.421 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.885 -6.114 7.205 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.664 -5.967 5.239 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -9.090 -7.749 5.555 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.869 -7.604 3.587 1.00 0.50 H new ATOM 0 HZ PHE A 106 -10.580 -8.498 3.744 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.831 -1.986 7.193 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.752 -1.062 7.841 1.00 0.37 C ATOM 1412 C PHE A 107 -16.184 -1.386 7.426 1.00 0.39 C ATOM 1413 O PHE A 107 -16.463 -1.601 6.245 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.430 0.390 7.464 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.110 0.885 7.990 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.991 1.330 9.297 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.988 0.908 7.174 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.781 1.792 9.780 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.776 1.370 7.652 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.671 1.809 8.958 1.00 0.46 C ATOM 0 H PHE A 107 -14.049 -2.175 6.215 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.644 -1.174 8.920 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.433 0.481 6.378 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.224 1.036 7.840 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.854 1.316 9.946 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.062 0.561 6.154 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.704 2.140 10.800 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.911 1.388 7.005 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.723 2.165 9.335 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.086 -1.432 8.392 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.482 -1.713 8.100 1.00 0.43 C ATOM 1432 C TRP A 108 -19.319 -0.459 8.317 1.00 0.45 C ATOM 1433 O TRP A 108 -19.231 0.187 9.363 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.011 -2.897 8.927 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.745 -2.804 10.404 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.553 -3.011 11.040 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.700 -2.504 11.428 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -17.708 -2.845 12.396 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.019 -2.540 12.659 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.065 -2.213 11.424 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -19.657 -2.282 13.869 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -21.699 -1.959 12.626 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -20.997 -2.001 13.835 1.00 0.74 C ATOM 0 H TRP A 108 -16.879 -1.280 9.379 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.562 -2.006 7.053 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.087 -2.979 8.770 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.562 -3.815 8.549 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.626 -3.267 10.549 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -16.968 -2.934 13.093 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.617 -2.187 10.496 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.114 -2.303 14.802 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -22.753 -1.724 12.632 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -21.522 -1.808 14.759 1.00 0.74 H new ATOM 1454 N MET A 109 -20.103 -0.110 7.306 1.00 0.46 N ATOM 1455 CA MET A 109 -20.943 1.086 7.343 1.00 0.48 C ATOM 1456 C MET A 109 -21.955 1.043 8.487 1.00 0.50 C ATOM 1457 O MET A 109 -22.636 0.036 8.700 1.00 0.51 O ATOM 1458 CB MET A 109 -21.680 1.255 6.012 1.00 0.50 C ATOM 1459 CG MET A 109 -20.762 1.517 4.829 1.00 0.50 C ATOM 1460 SD MET A 109 -19.870 3.081 4.966 1.00 0.58 S ATOM 1461 CE MET A 109 -18.952 3.073 3.425 1.00 0.60 C ATOM 0 H MET A 109 -20.177 -0.643 6.440 1.00 0.46 H new ATOM 0 HA MET A 109 -20.284 1.938 7.512 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.264 0.356 5.814 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.386 2.080 6.101 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.044 0.701 4.745 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.351 1.519 3.912 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.348 3.978 3.357 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.302 2.199 3.393 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.648 3.038 2.587 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.039 2.145 9.224 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.971 2.262 10.340 1.00 0.53 C ATOM 1473 C GLN A 110 -24.118 3.206 9.978 1.00 0.56 C ATOM 1474 O GLN A 110 -25.035 3.421 10.774 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.249 2.770 11.592 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.310 1.748 12.218 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.636 2.259 13.480 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.421 3.461 13.647 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.297 1.347 14.379 1.00 0.53 N ATOM 0 H GLN A 110 -21.468 2.976 9.067 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.380 1.274 10.550 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.679 3.663 11.334 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.991 3.068 12.332 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.870 0.843 12.453 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.546 1.471 11.491 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.492 0.361 14.204 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.841 1.631 15.246 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.051 3.772 8.770 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.080 4.690 8.280 1.00 0.60 C ATOM 1490 C GLU A 111 -26.438 3.987 8.215 1.00 0.63 C ATOM 1491 O GLU A 111 -26.512 2.809 7.872 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.703 5.227 6.894 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.434 6.067 6.879 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.606 7.411 7.561 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.561 8.141 7.225 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.783 7.748 8.434 1.00 0.67 O ATOM 0 H GLU A 111 -23.290 3.609 8.111 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.150 5.527 8.975 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.578 4.386 6.212 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.528 5.828 6.512 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.634 5.515 7.372 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.122 6.227 5.847 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.526 4.702 8.541 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.882 4.138 8.532 1.00 0.71 C ATOM 1505 C PRO A 112 -29.341 3.668 7.150 1.00 0.71 C ATOM 1506 O PRO A 112 -29.970 2.616 7.025 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.763 5.299 9.011 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.952 6.528 8.804 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.519 6.114 8.965 1.00 0.71 C ATOM 0 HA PRO A 112 -28.934 3.247 9.157 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.694 5.344 8.446 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.033 5.179 10.060 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.127 6.948 7.814 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.219 7.297 9.528 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.854 6.717 8.347 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.182 6.223 9.996 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.034 4.443 6.117 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.446 4.093 4.761 1.00 0.75 C ATOM 1519 C LYS A 113 -28.267 3.593 3.931 1.00 0.69 C ATOM 1520 O LYS A 113 -27.148 4.082 4.063 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.091 5.294 4.066 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.612 5.301 4.124 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.129 5.607 5.520 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.629 5.845 5.512 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.174 6.027 6.882 1.00 1.51 N ATOM 0 H LYS A 113 -28.505 5.312 6.190 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.177 3.288 4.841 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.716 6.210 4.524 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.778 5.308 3.022 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -31.998 6.043 3.424 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.991 4.331 3.802 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.894 4.778 6.187 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.621 6.487 5.914 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -33.852 6.728 4.913 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.127 5.002 5.034 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.200 6.187 6.829 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.985 5.175 7.447 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.719 6.848 7.331 1.00 1.51 H new ATOM 1539 N THR A 114 -28.538 2.618 3.069 1.00 0.69 N ATOM 1540 CA THR A 114 -27.523 2.039 2.196 1.00 0.66 C ATOM 1541 C THR A 114 -27.355 2.869 0.927 1.00 0.67 C ATOM 1542 O THR A 114 -26.449 2.636 0.125 1.00 0.69 O ATOM 1543 CB THR A 114 -27.924 0.604 1.804 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.300 0.386 2.143 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.063 -0.418 2.515 1.00 0.86 C ATOM 0 H THR A 114 -29.465 2.208 2.956 1.00 0.69 H new ATOM 0 HA THR A 114 -26.579 2.028 2.740 1.00 0.66 H new ATOM 0 HB THR A 114 -27.778 0.488 0.730 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.558 -0.526 1.893 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.369 -1.421 2.219 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.018 -0.263 2.246 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.181 -0.306 3.593 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.237 3.844 0.763 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.229 4.722 -0.403 1.00 0.72 C ATOM 1555 C ASP A 115 -26.911 5.466 -0.545 1.00 0.68 C ATOM 1556 O ASP A 115 -26.435 5.696 -1.656 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.363 5.741 -0.300 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.732 5.102 -0.330 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.136 4.510 0.692 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.420 5.212 -1.366 1.00 1.19 O ATOM 0 H ASP A 115 -28.978 4.050 1.432 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.365 4.091 -1.282 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.252 6.308 0.624 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.281 6.452 -1.122 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.319 5.828 0.580 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.074 6.576 0.566 1.00 0.64 C ATOM 1567 C GLN A 116 -23.864 5.679 0.793 1.00 0.60 C ATOM 1568 O GLN A 116 -22.755 6.174 0.983 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.117 7.681 1.620 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.232 8.689 1.391 1.00 0.77 C ATOM 1571 CD GLN A 116 -26.053 9.477 0.107 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.480 9.050 -0.967 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.424 10.634 0.209 1.00 0.92 N ATOM 0 H GLN A 116 -26.678 5.617 1.511 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.968 7.020 -0.424 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.241 7.230 2.604 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.160 8.204 1.628 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.188 8.167 1.362 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.271 9.379 2.234 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.086 10.952 1.117 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.277 11.209 -0.620 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.069 4.367 0.757 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.972 3.417 0.961 1.00 0.58 C ATOM 1584 C ASP A 117 -21.940 3.546 -0.153 1.00 0.55 C ATOM 1585 O ASP A 117 -20.798 3.953 0.085 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.495 1.977 1.038 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.706 1.511 2.466 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.665 2.362 3.382 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.928 0.297 2.685 1.00 0.64 O ATOM 0 H ASP A 117 -24.978 3.935 0.590 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.494 3.656 1.911 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.437 1.906 0.493 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.789 1.311 0.542 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.360 3.237 -1.373 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.480 3.321 -2.527 1.00 0.56 C ATOM 1596 C GLU A 118 -21.061 4.766 -2.784 1.00 0.55 C ATOM 1597 O GLU A 118 -19.958 5.027 -3.268 1.00 0.55 O ATOM 1598 CB GLU A 118 -22.162 2.728 -3.761 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.239 1.209 -3.736 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.873 0.550 -3.789 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.354 0.345 -4.905 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.315 0.227 -2.717 1.00 0.70 O ATOM 0 H GLU A 118 -23.307 2.925 -1.587 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.581 2.741 -2.317 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.170 3.134 -3.841 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.620 3.043 -4.653 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.756 0.891 -2.831 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.836 0.866 -4.581 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.941 5.703 -2.437 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.656 7.123 -2.618 1.00 0.59 C ATOM 1611 C GLU A 119 -20.482 7.540 -1.738 1.00 0.56 C ATOM 1612 O GLU A 119 -19.575 8.239 -2.186 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.886 7.971 -2.285 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.690 9.456 -2.561 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.297 9.733 -3.998 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -23.066 9.361 -4.905 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.221 10.327 -4.234 1.00 1.25 O ATOM 0 H GLU A 119 -22.855 5.504 -2.030 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.395 7.289 -3.663 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.735 7.610 -2.866 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -23.138 7.835 -1.233 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.612 9.990 -2.331 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.921 9.847 -1.896 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.502 7.103 -0.483 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.430 7.426 0.445 1.00 0.54 C ATOM 1626 C HIS A 120 -18.134 6.794 -0.038 1.00 0.51 C ATOM 1627 O HIS A 120 -17.080 7.424 -0.006 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.761 6.952 1.868 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.648 7.897 2.622 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.716 7.484 3.393 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.622 9.249 2.716 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.308 8.540 3.927 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.659 9.621 3.531 1.00 0.74 N ATOM 0 H HIS A 120 -21.246 6.527 -0.089 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.315 8.509 0.479 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.245 5.977 1.814 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.832 6.817 2.423 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.915 9.910 2.237 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.172 8.522 4.575 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.893 10.579 3.791 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.231 5.557 -0.520 1.00 0.49 N ATOM 1643 CA CYS A 121 -17.073 4.838 -1.033 1.00 0.48 C ATOM 1644 C CYS A 121 -16.488 5.569 -2.240 1.00 0.48 C ATOM 1645 O CYS A 121 -15.269 5.598 -2.435 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.472 3.416 -1.424 1.00 0.49 C ATOM 1647 SG CYS A 121 -16.087 2.371 -1.938 1.00 0.48 S ATOM 0 H CYS A 121 -19.104 5.032 -0.565 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.315 4.791 -0.251 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.973 2.946 -0.578 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.197 3.465 -2.237 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.083 2.555 -1.133 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.369 6.154 -3.042 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.968 6.901 -4.221 1.00 0.54 C ATOM 1655 C ARG A 122 -16.154 8.120 -3.811 1.00 0.53 C ATOM 1656 O ARG A 122 -15.017 8.288 -4.244 1.00 0.54 O ATOM 1657 CB ARG A 122 -18.198 7.347 -5.013 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.865 7.919 -6.382 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.862 8.988 -6.813 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.238 8.664 -6.431 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.981 7.713 -7.010 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.488 6.982 -8.004 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.227 7.519 -6.606 1.00 1.52 N ATOM 0 H ARG A 122 -18.377 6.123 -2.892 1.00 0.51 H new ATOM 0 HA ARG A 122 -16.358 6.254 -4.851 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.868 6.496 -5.137 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.739 8.098 -4.436 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.862 8.346 -6.362 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -17.855 7.115 -7.118 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.581 9.942 -6.368 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.809 9.113 -7.894 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.659 9.200 -5.672 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -19.536 7.143 -8.332 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.062 6.260 -8.439 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.616 8.093 -5.858 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.798 6.796 -7.043 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.740 8.946 -2.944 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.088 10.164 -2.464 1.00 0.53 C ATOM 1679 C LYS A 123 -14.733 9.857 -1.840 1.00 0.51 C ATOM 1680 O LYS A 123 -13.777 10.618 -2.002 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.985 10.884 -1.459 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.282 11.387 -2.066 1.00 0.63 C ATOM 1683 CD LYS A 123 -19.084 12.209 -1.075 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.246 12.913 -1.756 1.00 0.85 C ATOM 1685 NZ LYS A 123 -21.058 13.694 -0.792 1.00 1.12 N ATOM 0 H LYS A 123 -17.671 8.792 -2.558 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.922 10.817 -3.321 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.215 10.206 -0.637 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.440 11.727 -1.034 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -18.062 11.991 -2.946 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.879 10.539 -2.403 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.461 11.562 -0.283 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.436 12.947 -0.602 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.864 13.577 -2.532 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.878 12.176 -2.250 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.841 14.159 -1.294 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.443 13.057 -0.066 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.461 14.415 -0.339 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.653 8.740 -1.124 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.405 8.335 -0.500 1.00 0.46 C ATOM 1701 C VAL A 124 -12.334 8.149 -1.572 1.00 0.45 C ATOM 1702 O VAL A 124 -11.248 8.718 -1.486 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.568 7.030 0.313 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.217 6.460 0.724 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.433 7.273 1.542 1.00 0.50 C ATOM 0 H VAL A 124 -15.435 8.104 -0.964 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.104 9.121 0.193 1.00 0.46 H new ATOM 0 HB VAL A 124 -14.061 6.299 -0.328 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.367 5.543 1.294 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.628 6.241 -0.167 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.687 7.187 1.340 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.537 6.344 2.103 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.964 8.027 2.174 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.418 7.622 1.231 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.669 7.377 -2.599 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.743 7.112 -3.696 1.00 0.48 C ATOM 1717 C ASN A 125 -11.407 8.396 -4.441 1.00 0.49 C ATOM 1718 O ASN A 125 -10.264 8.601 -4.853 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.328 6.090 -4.679 1.00 0.50 C ATOM 1720 CG ASN A 125 -12.145 4.658 -4.218 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -11.108 4.041 -4.456 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -13.154 4.115 -3.560 1.00 0.77 N ATOM 0 H ASN A 125 -13.577 6.922 -2.696 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.832 6.701 -3.262 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.391 6.290 -4.814 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.854 6.217 -5.652 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -13.089 3.152 -3.230 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.998 4.659 -3.382 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.410 9.254 -4.604 1.00 0.52 N ATOM 1730 CA GLU A 126 -12.242 10.523 -5.302 1.00 0.56 C ATOM 1731 C GLU A 126 -11.137 11.367 -4.675 1.00 0.55 C ATOM 1732 O GLU A 126 -10.195 11.771 -5.354 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.557 11.320 -5.309 1.00 0.64 C ATOM 1734 CG GLU A 126 -14.658 10.696 -6.157 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.878 11.595 -6.299 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -16.509 11.928 -5.273 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -16.215 11.970 -7.447 1.00 1.27 O ATOM 0 H GLU A 126 -13.356 9.090 -4.258 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.957 10.290 -6.328 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.915 11.419 -4.284 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -13.357 12.327 -5.676 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -14.263 10.470 -7.147 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.961 9.749 -5.710 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.242 11.602 -3.372 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.272 12.430 -2.657 1.00 0.55 C ATOM 1746 C TYR A 127 -8.957 11.708 -2.370 1.00 0.52 C ATOM 1747 O TYR A 127 -7.906 12.342 -2.308 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.873 12.928 -1.347 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.922 13.996 -1.529 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.561 15.318 -1.756 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.274 13.689 -1.464 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.517 16.302 -1.909 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.235 14.665 -1.618 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.852 15.968 -1.839 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.810 16.943 -1.981 1.00 0.84 O ATOM 0 H TYR A 127 -11.990 11.231 -2.786 1.00 0.53 H new ATOM 0 HA TYR A 127 -10.041 13.269 -3.314 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.314 12.084 -0.816 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.074 13.319 -0.717 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.515 15.580 -1.814 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.578 12.668 -1.290 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.221 17.326 -2.082 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.283 14.408 -1.565 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.700 16.540 -1.907 1.00 0.84 H new ATOM 1765 N LEU A 128 -9.004 10.398 -2.180 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.786 9.646 -1.893 1.00 0.49 C ATOM 1767 C LEU A 128 -6.896 9.559 -3.132 1.00 0.53 C ATOM 1768 O LEU A 128 -5.670 9.483 -3.027 1.00 0.69 O ATOM 1769 CB LEU A 128 -8.113 8.238 -1.385 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.771 8.163 0.003 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.690 6.745 0.551 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.128 9.150 0.969 1.00 0.44 C ATOM 0 H LEU A 128 -9.856 9.839 -2.218 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.247 10.180 -1.110 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.774 7.757 -2.106 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -7.191 7.658 -1.361 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.821 8.436 -0.103 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.160 6.707 1.534 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.207 6.064 -0.125 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.645 6.447 0.637 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.613 9.075 1.942 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.068 8.919 1.073 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.242 10.163 0.584 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.519 9.592 -4.301 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.787 9.504 -5.558 1.00 0.59 C ATOM 1786 C ASN A 129 -6.484 10.884 -6.124 1.00 0.65 C ATOM 1787 O ASN A 129 -5.341 11.177 -6.478 1.00 0.78 O ATOM 1788 CB ASN A 129 -7.575 8.694 -6.590 1.00 0.64 C ATOM 1789 CG ASN A 129 -7.439 7.197 -6.395 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -6.384 6.698 -5.997 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -8.507 6.468 -6.676 1.00 0.89 N ATOM 0 H ASN A 129 -8.530 9.679 -4.406 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.844 9.000 -5.346 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -8.628 8.968 -6.532 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -7.231 8.958 -7.590 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -8.476 5.454 -6.566 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -9.361 6.920 -7.003 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.502 11.730 -6.207 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.330 13.066 -6.762 1.00 0.74 C ATOM 1800 C ASN A 130 -7.466 14.131 -5.683 1.00 0.80 C ATOM 1801 O ASN A 130 -8.602 14.422 -5.258 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.348 13.319 -7.877 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.062 12.501 -9.123 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.243 12.884 -9.957 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.742 11.372 -9.263 1.00 1.09 N ATOM 0 H ASN A 130 -8.451 11.517 -5.899 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.325 13.126 -7.179 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.347 13.082 -7.512 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.345 14.378 -8.133 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.595 10.786 -10.085 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.413 11.089 -8.549 1.00 1.09 H new ATOM 1813 N ALA B 26 37.505 -7.450 8.824 1.00 1.24 N ATOM 1814 CA ALA B 26 36.397 -6.737 9.492 1.00 1.15 C ATOM 1815 C ALA B 26 35.133 -6.805 8.648 1.00 1.06 C ATOM 1816 O ALA B 26 35.071 -6.226 7.564 1.00 1.08 O ATOM 1817 CB ALA B 26 36.780 -5.291 9.752 1.00 1.27 C ATOM 0 HA ALA B 26 36.201 -7.223 10.448 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.954 -4.779 10.245 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.661 -5.258 10.393 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.001 -4.797 8.806 1.00 1.27 H new ATOM 1825 N PRO B 27 34.114 -7.534 9.120 1.00 1.03 N ATOM 1826 CA PRO B 27 32.849 -7.663 8.411 1.00 0.98 C ATOM 1827 C PRO B 27 31.892 -6.520 8.731 1.00 0.96 C ATOM 1828 O PRO B 27 31.985 -5.890 9.790 1.00 1.05 O ATOM 1829 CB PRO B 27 32.304 -8.983 8.944 1.00 1.03 C ATOM 1830 CG PRO B 27 32.819 -9.080 10.341 1.00 1.15 C ATOM 1831 CD PRO B 27 34.115 -8.303 10.382 1.00 1.12 C ATOM 0 HA PRO B 27 32.969 -7.634 7.328 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.214 -8.997 8.924 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.645 -9.823 8.339 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.099 -8.669 11.048 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.983 -10.120 10.622 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.158 -7.645 11.250 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.977 -8.968 10.443 1.00 1.12 H new ATOM 1839 N ALA B 28 30.977 -6.252 7.815 1.00 0.95 N ATOM 1840 CA ALA B 28 29.993 -5.196 7.992 1.00 0.96 C ATOM 1841 C ALA B 28 28.601 -5.750 7.736 1.00 0.90 C ATOM 1842 O ALA B 28 27.686 -5.017 7.356 1.00 0.88 O ATOM 1843 CB ALA B 28 30.290 -4.031 7.060 1.00 1.04 C ATOM 0 H ALA B 28 30.895 -6.757 6.932 1.00 0.95 H new ATOM 0 HA ALA B 28 30.043 -4.827 9.017 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.544 -3.250 7.205 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.281 -3.633 7.280 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.258 -4.375 6.026 1.00 1.04 H new ATOM 1849 N GLU B 29 28.470 -7.061 7.949 1.00 0.93 N ATOM 1850 CA GLU B 29 27.216 -7.781 7.747 1.00 0.90 C ATOM 1851 C GLU B 29 26.781 -7.716 6.287 1.00 0.85 C ATOM 1852 O GLU B 29 26.156 -6.751 5.853 1.00 0.82 O ATOM 1853 CB GLU B 29 26.116 -7.243 8.670 1.00 0.91 C ATOM 1854 CG GLU B 29 26.381 -7.517 10.143 1.00 1.14 C ATOM 1855 CD GLU B 29 25.203 -7.165 11.023 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.064 -7.566 10.696 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.415 -6.497 12.060 1.00 1.30 O ATOM 0 H GLU B 29 29.236 -7.654 8.268 1.00 0.93 H new ATOM 0 HA GLU B 29 27.386 -8.827 8.003 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.018 -6.168 8.519 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.163 -7.692 8.389 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.625 -8.571 10.274 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.252 -6.946 10.464 1.00 1.14 H new ATOM 1864 N PRO B 30 27.098 -8.762 5.506 1.00 0.88 N ATOM 1865 CA PRO B 30 26.757 -8.815 4.080 1.00 0.88 C ATOM 1866 C PRO B 30 25.280 -9.105 3.829 1.00 0.82 C ATOM 1867 O PRO B 30 24.913 -9.704 2.817 1.00 0.85 O ATOM 1868 CB PRO B 30 27.627 -9.960 3.559 1.00 1.00 C ATOM 1869 CG PRO B 30 27.837 -10.856 4.730 1.00 1.07 C ATOM 1870 CD PRO B 30 27.801 -9.979 5.956 1.00 0.98 C ATOM 0 HA PRO B 30 26.933 -7.860 3.586 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.135 -10.488 2.742 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.576 -9.589 3.172 1.00 1.00 H new ATOM 0 HG2 PRO B 30 27.061 -11.620 4.777 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.792 -11.376 4.654 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.273 -10.464 6.778 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.805 -9.751 6.313 1.00 0.98 H new ATOM 1878 N LYS B 31 24.432 -8.670 4.745 1.00 0.78 N ATOM 1879 CA LYS B 31 23.000 -8.878 4.619 1.00 0.74 C ATOM 1880 C LYS B 31 22.360 -7.690 3.915 1.00 0.69 C ATOM 1881 O LYS B 31 21.944 -6.721 4.552 1.00 0.73 O ATOM 1882 CB LYS B 31 22.362 -9.094 5.993 1.00 0.76 C ATOM 1883 CG LYS B 31 22.074 -10.556 6.305 1.00 0.92 C ATOM 1884 CD LYS B 31 20.846 -11.053 5.555 1.00 1.11 C ATOM 1885 CE LYS B 31 20.628 -12.548 5.745 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.465 -12.918 7.174 1.00 1.45 N ATOM 0 H LYS B 31 24.712 -8.168 5.588 1.00 0.78 H new ATOM 0 HA LYS B 31 22.830 -9.774 4.021 1.00 0.74 H new ATOM 0 HB2 LYS B 31 23.024 -8.690 6.760 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.431 -8.529 6.046 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.938 -11.164 6.035 1.00 0.92 H new ATOM 0 HG3 LYS B 31 21.921 -10.677 7.377 1.00 0.92 H new ATOM 0 HD2 LYS B 31 19.966 -10.511 5.901 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.957 -10.835 4.493 1.00 1.11 H new ATOM 0 HE2 LYS B 31 19.743 -12.857 5.189 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.474 -13.092 5.326 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.186 -13.917 7.244 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.365 -12.774 7.675 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.730 -12.322 7.605 1.00 1.45 H new ATOM 1900 N ILE B 32 22.319 -7.762 2.594 1.00 0.68 N ATOM 1901 CA ILE B 32 21.738 -6.704 1.787 1.00 0.66 C ATOM 1902 C ILE B 32 20.256 -6.973 1.558 1.00 0.62 C ATOM 1903 O ILE B 32 19.875 -8.048 1.083 1.00 0.67 O ATOM 1904 CB ILE B 32 22.474 -6.565 0.426 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.805 -5.824 0.606 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.609 -5.845 -0.598 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.964 -6.717 0.997 1.00 1.20 C ATOM 0 H ILE B 32 22.684 -8.548 2.056 1.00 0.68 H new ATOM 0 HA ILE B 32 21.852 -5.765 2.329 1.00 0.66 H new ATOM 0 HB ILE B 32 22.676 -7.570 0.055 1.00 0.71 H new ATOM 0 HG12 ILE B 32 24.052 -5.313 -0.324 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.680 -5.055 1.368 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.152 -5.763 -1.540 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.689 -6.408 -0.757 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.366 -4.848 -0.232 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.867 -6.116 1.104 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.741 -7.209 1.944 1.00 1.20 H new ATOM 0 HD13 ILE B 32 25.119 -7.470 0.225 1.00 1.20 H new ATOM 1919 N ILE B 33 19.428 -6.001 1.914 1.00 0.58 N ATOM 1920 CA ILE B 33 17.991 -6.126 1.756 1.00 0.56 C ATOM 1921 C ILE B 33 17.536 -5.490 0.448 1.00 0.54 C ATOM 1922 O ILE B 33 18.140 -4.525 -0.033 1.00 0.60 O ATOM 1923 CB ILE B 33 17.228 -5.489 2.940 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.646 -4.027 3.135 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.469 -6.293 4.212 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.857 -3.302 4.204 1.00 0.67 C ATOM 0 H ILE B 33 19.731 -5.114 2.316 1.00 0.58 H new ATOM 0 HA ILE B 33 17.760 -7.191 1.737 1.00 0.56 H new ATOM 0 HB ILE B 33 16.162 -5.505 2.714 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.705 -3.993 3.392 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.531 -3.497 2.190 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.927 -5.836 5.040 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.118 -7.315 4.069 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.535 -6.304 4.439 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.211 -2.274 4.283 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.800 -3.303 3.939 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.992 -3.806 5.161 1.00 0.67 H new ATOM 1938 N LYS B 34 16.486 -6.045 -0.137 1.00 0.53 N ATOM 1939 CA LYS B 34 15.959 -5.539 -1.390 1.00 0.53 C ATOM 1940 C LYS B 34 14.794 -4.590 -1.145 1.00 0.48 C ATOM 1941 O LYS B 34 13.822 -4.943 -0.477 1.00 0.57 O ATOM 1942 CB LYS B 34 15.518 -6.695 -2.285 1.00 0.58 C ATOM 1943 CG LYS B 34 16.681 -7.508 -2.827 1.00 0.76 C ATOM 1944 CD LYS B 34 16.203 -8.676 -3.673 1.00 0.87 C ATOM 1945 CE LYS B 34 17.297 -9.172 -4.603 1.00 1.07 C ATOM 1946 NZ LYS B 34 18.368 -9.897 -3.875 1.00 1.31 N ATOM 0 H LYS B 34 15.982 -6.848 0.239 1.00 0.53 H new ATOM 0 HA LYS B 34 16.752 -4.985 -1.893 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.856 -7.351 -1.720 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.939 -6.300 -3.120 1.00 0.58 H new ATOM 0 HG2 LYS B 34 17.327 -6.865 -3.425 1.00 0.76 H new ATOM 0 HG3 LYS B 34 17.282 -7.881 -1.998 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.879 -9.489 -3.023 1.00 0.87 H new ATOM 0 HD3 LYS B 34 15.336 -8.372 -4.259 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.861 -9.831 -5.354 1.00 1.07 H new ATOM 0 HE3 LYS B 34 17.731 -8.325 -5.134 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 19.092 -10.216 -4.550 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 18.803 -9.262 -3.175 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.961 -10.721 -3.389 1.00 1.31 H new ATOM 1960 N VAL B 35 14.903 -3.389 -1.690 1.00 0.44 N ATOM 1961 CA VAL B 35 13.865 -2.383 -1.537 1.00 0.41 C ATOM 1962 C VAL B 35 13.311 -1.979 -2.900 1.00 0.42 C ATOM 1963 O VAL B 35 14.025 -1.426 -3.740 1.00 0.45 O ATOM 1964 CB VAL B 35 14.390 -1.137 -0.775 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.749 -0.691 -1.298 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.389 0.005 -0.852 1.00 0.40 C ATOM 0 H VAL B 35 15.704 -3.086 -2.245 1.00 0.44 H new ATOM 0 HA VAL B 35 13.061 -2.821 -0.945 1.00 0.41 H new ATOM 0 HB VAL B 35 14.513 -1.422 0.270 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.084 0.184 -0.741 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.470 -1.499 -1.173 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.667 -0.438 -2.355 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.778 0.867 -0.311 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.225 0.275 -1.895 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.445 -0.308 -0.405 1.00 0.40 H new ATOM 1976 N THR B 36 12.045 -2.283 -3.125 1.00 0.41 N ATOM 1977 CA THR B 36 11.397 -1.954 -4.379 1.00 0.43 C ATOM 1978 C THR B 36 10.723 -0.588 -4.286 1.00 0.39 C ATOM 1979 O THR B 36 9.726 -0.422 -3.581 1.00 0.40 O ATOM 1980 CB THR B 36 10.366 -3.030 -4.757 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.762 -4.294 -4.203 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.250 -3.151 -6.268 1.00 0.57 C ATOM 0 H THR B 36 11.445 -2.759 -2.452 1.00 0.41 H new ATOM 0 HA THR B 36 12.159 -1.918 -5.158 1.00 0.43 H new ATOM 0 HB THR B 36 9.396 -2.740 -4.353 1.00 0.48 H new ATOM 0 HG1 THR B 36 11.367 -4.749 -4.825 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.516 -3.917 -6.516 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.933 -2.196 -6.686 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.218 -3.427 -6.686 1.00 0.57 H new ATOM 1990 N VAL B 37 11.268 0.387 -4.997 1.00 0.41 N ATOM 1991 CA VAL B 37 10.737 1.741 -4.966 1.00 0.40 C ATOM 1992 C VAL B 37 9.776 1.991 -6.121 1.00 0.43 C ATOM 1993 O VAL B 37 10.114 1.787 -7.288 1.00 0.51 O ATOM 1994 CB VAL B 37 11.869 2.787 -5.015 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.325 4.186 -4.767 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.959 2.447 -4.009 1.00 0.46 C ATOM 0 H VAL B 37 12.079 0.266 -5.603 1.00 0.41 H new ATOM 0 HA VAL B 37 10.195 1.843 -4.026 1.00 0.40 H new ATOM 0 HB VAL B 37 12.307 2.766 -6.013 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.142 4.906 -4.806 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.588 4.431 -5.532 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.854 4.225 -3.785 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.748 3.197 -4.060 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.536 2.433 -3.005 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.375 1.467 -4.241 1.00 0.46 H new ATOM 2006 N LYS B 38 8.575 2.430 -5.778 1.00 0.41 N ATOM 2007 CA LYS B 38 7.554 2.742 -6.762 1.00 0.46 C ATOM 2008 C LYS B 38 7.657 4.213 -7.144 1.00 0.50 C ATOM 2009 O LYS B 38 7.474 5.096 -6.303 1.00 0.63 O ATOM 2010 CB LYS B 38 6.157 2.442 -6.209 1.00 0.51 C ATOM 2011 CG LYS B 38 5.942 0.986 -5.831 1.00 0.65 C ATOM 2012 CD LYS B 38 4.585 0.777 -5.175 1.00 0.80 C ATOM 2013 CE LYS B 38 3.450 1.246 -6.074 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.115 0.880 -5.528 1.00 1.38 N ATOM 0 H LYS B 38 8.283 2.579 -4.812 1.00 0.41 H new ATOM 0 HA LYS B 38 7.712 2.121 -7.644 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.984 3.064 -5.331 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.414 2.727 -6.954 1.00 0.51 H new ATOM 0 HG2 LYS B 38 6.017 0.362 -6.722 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.730 0.665 -5.150 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.452 -0.279 -4.941 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.550 1.319 -4.230 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.507 2.328 -6.195 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.568 0.808 -7.065 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.384 1.472 -5.971 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.919 -0.121 -5.731 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.107 1.032 -4.499 1.00 1.38 H new ATOM 2028 N THR B 39 7.945 4.469 -8.409 1.00 0.55 N ATOM 2029 CA THR B 39 8.093 5.827 -8.902 1.00 0.60 C ATOM 2030 C THR B 39 7.086 6.089 -10.014 1.00 0.65 C ATOM 2031 O THR B 39 6.562 5.138 -10.603 1.00 0.67 O ATOM 2032 CB THR B 39 9.524 6.075 -9.437 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.858 5.091 -10.428 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.547 6.029 -8.310 1.00 0.68 C ATOM 0 H THR B 39 8.082 3.748 -9.117 1.00 0.55 H new ATOM 0 HA THR B 39 7.911 6.508 -8.070 1.00 0.60 H new ATOM 0 HB THR B 39 9.547 7.068 -9.886 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.129 4.441 -10.502 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.543 6.206 -8.715 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.312 6.798 -7.574 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.519 5.049 -7.833 1.00 0.68 H new ATOM 2042 N PRO B 40 6.783 7.367 -10.307 1.00 0.71 N ATOM 2043 CA PRO B 40 5.846 7.736 -11.376 1.00 0.78 C ATOM 2044 C PRO B 40 6.465 7.519 -12.756 1.00 0.81 C ATOM 2045 O PRO B 40 6.491 8.421 -13.596 1.00 0.87 O ATOM 2046 CB PRO B 40 5.587 9.221 -11.119 1.00 0.83 C ATOM 2047 CG PRO B 40 6.808 9.710 -10.426 1.00 0.85 C ATOM 2048 CD PRO B 40 7.314 8.554 -9.607 1.00 0.73 C ATOM 0 HA PRO B 40 4.937 7.135 -11.368 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.420 9.760 -12.052 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.699 9.366 -10.504 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.559 10.037 -11.145 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.580 10.567 -9.792 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.403 8.540 -9.565 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.956 8.605 -8.579 1.00 0.73 H new ATOM 2056 N LYS B 41 6.952 6.304 -12.970 1.00 0.82 N ATOM 2057 CA LYS B 41 7.600 5.919 -14.217 1.00 0.87 C ATOM 2058 C LYS B 41 7.704 4.401 -14.292 1.00 0.84 C ATOM 2059 O LYS B 41 7.200 3.779 -15.222 1.00 0.92 O ATOM 2060 CB LYS B 41 9.004 6.526 -14.316 1.00 0.93 C ATOM 2061 CG LYS B 41 9.085 7.771 -15.183 1.00 1.13 C ATOM 2062 CD LYS B 41 10.509 8.293 -15.265 1.00 1.21 C ATOM 2063 CE LYS B 41 10.558 9.675 -15.892 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.950 10.178 -16.024 1.00 1.37 N ATOM 0 H LYS B 41 6.908 5.554 -12.280 1.00 0.82 H new ATOM 0 HA LYS B 41 6.998 6.294 -15.045 1.00 0.87 H new ATOM 0 HB2 LYS B 41 9.353 6.772 -13.313 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.685 5.774 -14.715 1.00 0.93 H new ATOM 0 HG2 LYS B 41 8.720 7.544 -16.185 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.435 8.544 -14.775 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.943 8.330 -14.266 1.00 1.21 H new ATOM 0 HD3 LYS B 41 11.117 7.604 -15.851 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.089 9.644 -16.876 1.00 1.44 H new ATOM 0 HE3 LYS B 41 9.978 10.369 -15.284 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 11.938 11.124 -16.456 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.390 10.233 -15.083 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.498 9.530 -16.625 1.00 1.37 H new ATOM 2078 N GLU B 42 8.356 3.817 -13.290 1.00 0.77 N ATOM 2079 CA GLU B 42 8.538 2.372 -13.218 1.00 0.75 C ATOM 2080 C GLU B 42 8.725 1.930 -11.770 1.00 0.70 C ATOM 2081 O GLU B 42 8.652 2.742 -10.842 1.00 0.73 O ATOM 2082 CB GLU B 42 9.749 1.943 -14.056 1.00 0.83 C ATOM 2083 CG GLU B 42 9.384 1.371 -15.418 1.00 1.03 C ATOM 2084 CD GLU B 42 10.602 1.049 -16.262 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.173 1.979 -16.877 1.00 1.41 O ATOM 2086 OE2 GLU B 42 10.996 -0.138 -16.315 1.00 1.28 O ATOM 0 H GLU B 42 8.770 4.329 -12.511 1.00 0.77 H new ATOM 0 HA GLU B 42 7.645 1.894 -13.619 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.404 2.803 -14.197 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.318 1.197 -13.500 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.792 0.466 -15.281 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.756 2.085 -15.951 1.00 1.03 H new ATOM 2093 N LYS B 43 8.950 0.642 -11.584 1.00 0.68 N ATOM 2094 CA LYS B 43 9.167 0.081 -10.264 1.00 0.64 C ATOM 2095 C LYS B 43 10.592 -0.454 -10.181 1.00 0.63 C ATOM 2096 O LYS B 43 10.860 -1.599 -10.542 1.00 0.74 O ATOM 2097 CB LYS B 43 8.150 -1.027 -9.992 1.00 0.67 C ATOM 2098 CG LYS B 43 8.080 -1.455 -8.538 1.00 0.67 C ATOM 2099 CD LYS B 43 6.922 -2.411 -8.290 1.00 0.74 C ATOM 2100 CE LYS B 43 7.041 -3.669 -9.140 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.930 -4.623 -8.883 1.00 0.98 N ATOM 0 H LYS B 43 8.987 -0.041 -12.340 1.00 0.68 H new ATOM 0 HA LYS B 43 9.033 0.852 -9.506 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.164 -0.687 -10.308 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.400 -1.894 -10.604 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.016 -1.936 -8.254 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.968 -0.575 -7.904 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.895 -2.685 -7.235 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.981 -1.909 -8.513 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.046 -3.394 -10.195 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.993 -4.157 -8.933 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.050 -5.465 -9.482 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 5.940 -4.906 -7.882 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.022 -4.167 -9.105 1.00 0.98 H new ATOM 2115 N GLU B 44 11.509 0.386 -9.729 1.00 0.59 N ATOM 2116 CA GLU B 44 12.909 0.002 -9.637 1.00 0.60 C ATOM 2117 C GLU B 44 13.247 -0.508 -8.244 1.00 0.56 C ATOM 2118 O GLU B 44 12.838 0.070 -7.240 1.00 0.60 O ATOM 2119 CB GLU B 44 13.809 1.185 -9.995 1.00 0.64 C ATOM 2120 CG GLU B 44 15.008 0.802 -10.847 1.00 0.81 C ATOM 2121 CD GLU B 44 14.615 0.005 -12.072 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.133 0.611 -13.056 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.789 -1.234 -12.061 1.00 1.24 O ATOM 0 H GLU B 44 11.310 1.338 -9.420 1.00 0.59 H new ATOM 0 HA GLU B 44 13.083 -0.806 -10.348 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.219 1.931 -10.527 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.162 1.653 -9.076 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.533 1.705 -11.158 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.706 0.219 -10.246 1.00 0.81 H new ATOM 2130 N GLU B 45 13.997 -1.597 -8.188 1.00 0.56 N ATOM 2131 CA GLU B 45 14.392 -2.185 -6.921 1.00 0.53 C ATOM 2132 C GLU B 45 15.872 -1.939 -6.665 1.00 0.55 C ATOM 2133 O GLU B 45 16.704 -2.121 -7.556 1.00 0.64 O ATOM 2134 CB GLU B 45 14.099 -3.682 -6.929 1.00 0.57 C ATOM 2135 CG GLU B 45 14.066 -4.307 -5.546 1.00 0.58 C ATOM 2136 CD GLU B 45 13.729 -5.778 -5.593 1.00 0.76 C ATOM 2137 OE1 GLU B 45 14.661 -6.601 -5.714 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.527 -6.115 -5.517 1.00 0.94 O ATOM 0 H GLU B 45 14.345 -2.092 -9.009 1.00 0.56 H new ATOM 0 HA GLU B 45 13.819 -1.717 -6.120 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.140 -3.852 -7.418 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.856 -4.188 -7.528 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.035 -4.173 -5.065 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.331 -3.787 -4.932 1.00 0.58 H new ATOM 2145 N PHE B 46 16.195 -1.521 -5.454 1.00 0.51 N ATOM 2146 CA PHE B 46 17.574 -1.240 -5.090 1.00 0.54 C ATOM 2147 C PHE B 46 18.084 -2.238 -4.059 1.00 0.54 C ATOM 2148 O PHE B 46 17.308 -3.005 -3.479 1.00 0.54 O ATOM 2149 CB PHE B 46 17.702 0.187 -4.551 1.00 0.53 C ATOM 2150 CG PHE B 46 17.591 1.243 -5.612 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.716 1.677 -6.294 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.364 1.808 -5.928 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.621 2.650 -7.271 1.00 0.90 C ATOM 2154 CE2 PHE B 46 16.262 2.782 -6.903 1.00 0.85 C ATOM 2155 CZ PHE B 46 17.393 3.204 -7.576 1.00 0.87 C ATOM 0 H PHE B 46 15.521 -1.368 -4.704 1.00 0.51 H new ATOM 0 HA PHE B 46 18.185 -1.336 -5.988 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.928 0.354 -3.802 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.662 0.291 -4.046 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.680 1.250 -6.059 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.477 1.482 -5.405 1.00 0.72 H new ATOM 0 HE1 PHE B 46 19.507 2.977 -7.796 1.00 0.90 H new ATOM 0 HE2 PHE B 46 15.300 3.213 -7.139 1.00 0.85 H new ATOM 0 HZ PHE B 46 17.317 3.965 -8.338 1.00 0.87 H new ATOM 2165 N ALA B 47 19.392 -2.234 -3.851 1.00 0.57 N ATOM 2166 CA ALA B 47 20.025 -3.121 -2.891 1.00 0.60 C ATOM 2167 C ALA B 47 20.793 -2.308 -1.860 1.00 0.60 C ATOM 2168 O ALA B 47 21.754 -1.615 -2.200 1.00 0.66 O ATOM 2169 CB ALA B 47 20.952 -4.091 -3.606 1.00 0.69 C ATOM 0 H ALA B 47 20.041 -1.618 -4.341 1.00 0.57 H new ATOM 0 HA ALA B 47 19.255 -3.696 -2.377 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.421 -4.751 -2.876 1.00 0.69 H new ATOM 0 HB2 ALA B 47 20.378 -4.686 -4.317 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.722 -3.533 -4.138 1.00 0.69 H new ATOM 2175 N VAL B 48 20.369 -2.382 -0.609 1.00 0.57 N ATOM 2176 CA VAL B 48 21.020 -1.634 0.457 1.00 0.59 C ATOM 2177 C VAL B 48 21.324 -2.533 1.653 1.00 0.58 C ATOM 2178 O VAL B 48 20.583 -3.470 1.933 1.00 0.57 O ATOM 2179 CB VAL B 48 20.156 -0.441 0.923 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.131 0.647 -0.135 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.742 -0.891 1.264 1.00 0.56 C ATOM 0 H VAL B 48 19.579 -2.951 -0.306 1.00 0.57 H new ATOM 0 HA VAL B 48 21.955 -1.251 0.048 1.00 0.59 H new ATOM 0 HB VAL B 48 20.606 -0.031 1.827 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.517 1.478 0.212 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.146 0.998 -0.320 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.711 0.247 -1.058 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.155 -0.032 1.589 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.279 -1.334 0.383 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.778 -1.629 2.065 1.00 0.56 H new ATOM 2191 N PRO B 49 22.435 -2.269 2.361 1.00 0.62 N ATOM 2192 CA PRO B 49 22.826 -3.047 3.539 1.00 0.63 C ATOM 2193 C PRO B 49 21.902 -2.786 4.731 1.00 0.60 C ATOM 2194 O PRO B 49 21.313 -1.706 4.850 1.00 0.61 O ATOM 2195 CB PRO B 49 24.251 -2.557 3.845 1.00 0.69 C ATOM 2196 CG PRO B 49 24.672 -1.765 2.655 1.00 0.79 C ATOM 2197 CD PRO B 49 23.409 -1.210 2.068 1.00 0.67 C ATOM 0 HA PRO B 49 22.767 -4.120 3.356 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.269 -1.946 4.748 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.925 -3.396 4.015 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.356 -0.965 2.939 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.197 -2.392 1.934 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.129 -0.262 2.528 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.503 -1.029 0.997 1.00 0.67 H new ATOM 2205 N GLU B 50 21.778 -3.774 5.611 1.00 0.61 N ATOM 2206 CA GLU B 50 20.919 -3.658 6.784 1.00 0.61 C ATOM 2207 C GLU B 50 21.558 -2.758 7.842 1.00 0.67 C ATOM 2208 O GLU B 50 20.867 -2.139 8.649 1.00 1.01 O ATOM 2209 CB GLU B 50 20.633 -5.043 7.375 1.00 0.68 C ATOM 2210 CG GLU B 50 19.460 -5.061 8.343 1.00 0.86 C ATOM 2211 CD GLU B 50 19.292 -6.395 9.040 1.00 0.93 C ATOM 2212 OE1 GLU B 50 20.120 -6.721 9.920 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.322 -7.121 8.727 1.00 1.08 O ATOM 0 H GLU B 50 22.264 -4.668 5.533 1.00 0.61 H new ATOM 0 HA GLU B 50 19.978 -3.206 6.471 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.434 -5.742 6.562 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.524 -5.400 7.891 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.601 -4.281 9.091 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.545 -4.822 7.801 1.00 0.86 H new ATOM 2220 N ASN B 51 22.883 -2.664 7.820 1.00 0.67 N ATOM 2221 CA ASN B 51 23.609 -1.837 8.784 1.00 0.69 C ATOM 2222 C ASN B 51 23.759 -0.402 8.276 1.00 0.71 C ATOM 2223 O ASN B 51 24.706 0.302 8.626 1.00 0.96 O ATOM 2224 CB ASN B 51 24.988 -2.445 9.092 1.00 0.76 C ATOM 2225 CG ASN B 51 26.013 -2.233 7.983 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.679 -2.216 6.797 1.00 0.87 O ATOM 2227 ND2 ASN B 51 27.270 -2.078 8.366 1.00 1.20 N ATOM 0 H ASN B 51 23.478 -3.148 7.147 1.00 0.67 H new ATOM 0 HA ASN B 51 23.028 -1.811 9.706 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.369 -2.009 10.015 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.873 -3.514 9.268 1.00 0.76 H new ATOM 0 HD21 ASN B 51 28.002 -1.938 7.669 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.507 -2.098 9.358 1.00 1.20 H new ATOM 2234 N SER B 52 22.813 0.032 7.459 1.00 0.65 N ATOM 2235 CA SER B 52 22.842 1.376 6.905 1.00 0.67 C ATOM 2236 C SER B 52 21.575 2.146 7.262 1.00 0.63 C ATOM 2237 O SER B 52 20.562 1.559 7.650 1.00 0.68 O ATOM 2238 CB SER B 52 23.011 1.313 5.390 1.00 0.71 C ATOM 2239 OG SER B 52 24.152 0.546 5.047 1.00 0.86 O ATOM 0 H SER B 52 22.013 -0.529 7.164 1.00 0.65 H new ATOM 0 HA SER B 52 23.691 1.905 7.339 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.122 0.874 4.937 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.109 2.321 4.987 1.00 0.71 H new ATOM 0 HG SER B 52 24.337 0.645 4.090 1.00 0.86 H new ATOM 2245 N SER B 53 21.648 3.465 7.151 1.00 0.65 N ATOM 2246 CA SER B 53 20.518 4.327 7.447 1.00 0.64 C ATOM 2247 C SER B 53 19.867 4.809 6.147 1.00 0.57 C ATOM 2248 O SER B 53 20.389 4.557 5.056 1.00 0.58 O ATOM 2249 CB SER B 53 20.984 5.510 8.296 1.00 0.75 C ATOM 2250 OG SER B 53 21.869 5.077 9.321 1.00 0.89 O ATOM 0 H SER B 53 22.488 3.963 6.855 1.00 0.65 H new ATOM 0 HA SER B 53 19.772 3.766 8.011 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.484 6.243 7.663 1.00 0.75 H new ATOM 0 HB3 SER B 53 20.122 6.007 8.740 1.00 0.75 H new ATOM 0 HG SER B 53 22.157 5.849 9.852 1.00 0.89 H new ATOM 2256 N VAL B 54 18.739 5.501 6.260 1.00 0.54 N ATOM 2257 CA VAL B 54 18.023 5.998 5.085 1.00 0.49 C ATOM 2258 C VAL B 54 18.802 7.123 4.404 1.00 0.48 C ATOM 2259 O VAL B 54 18.714 7.303 3.190 1.00 0.47 O ATOM 2260 CB VAL B 54 16.605 6.498 5.451 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.802 6.818 4.196 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.871 5.473 6.304 1.00 0.58 C ATOM 0 H VAL B 54 18.299 5.732 7.151 1.00 0.54 H new ATOM 0 HA VAL B 54 17.927 5.161 4.394 1.00 0.49 H new ATOM 0 HB VAL B 54 16.713 7.413 6.033 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.809 7.167 4.479 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.312 7.595 3.626 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.710 5.921 3.584 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.877 5.848 6.548 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.781 4.538 5.752 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.429 5.299 7.224 1.00 0.58 H new ATOM 2272 N GLN B 55 19.586 7.858 5.193 1.00 0.53 N ATOM 2273 CA GLN B 55 20.388 8.972 4.682 1.00 0.58 C ATOM 2274 C GLN B 55 21.256 8.550 3.499 1.00 0.58 C ATOM 2275 O GLN B 55 21.366 9.278 2.512 1.00 0.64 O ATOM 2276 CB GLN B 55 21.273 9.547 5.793 1.00 0.67 C ATOM 2277 CG GLN B 55 20.609 10.660 6.588 1.00 0.88 C ATOM 2278 CD GLN B 55 21.509 11.227 7.669 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.736 11.229 7.537 1.00 1.13 O ATOM 2280 NE2 GLN B 55 20.911 11.719 8.744 1.00 1.23 N ATOM 0 H GLN B 55 19.683 7.701 6.196 1.00 0.53 H new ATOM 0 HA GLN B 55 19.695 9.738 4.336 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.554 8.744 6.474 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.194 9.927 5.352 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.316 11.460 5.909 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.696 10.279 7.045 1.00 0.88 H new ATOM 0 HE21 GLN B 55 19.894 11.699 8.816 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.468 12.118 9.500 1.00 1.23 H new ATOM 2289 N GLN B 56 21.864 7.373 3.601 1.00 0.56 N ATOM 2290 CA GLN B 56 22.725 6.859 2.542 1.00 0.60 C ATOM 2291 C GLN B 56 21.918 6.541 1.283 1.00 0.55 C ATOM 2292 O GLN B 56 22.343 6.848 0.168 1.00 0.62 O ATOM 2293 CB GLN B 56 23.458 5.605 3.017 1.00 0.65 C ATOM 2294 CG GLN B 56 24.827 5.420 2.385 1.00 0.80 C ATOM 2295 CD GLN B 56 25.933 6.077 3.186 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.537 5.451 4.058 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.210 7.339 2.900 1.00 1.27 N ATOM 0 H GLN B 56 21.776 6.756 4.408 1.00 0.56 H new ATOM 0 HA GLN B 56 23.454 7.631 2.298 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.571 5.650 4.100 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.845 4.731 2.796 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.037 4.355 2.288 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.817 5.836 1.377 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.687 7.823 2.170 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.947 7.827 3.409 1.00 1.27 H new ATOM 2306 N PHE B 57 20.750 5.939 1.474 1.00 0.50 N ATOM 2307 CA PHE B 57 19.884 5.566 0.363 1.00 0.49 C ATOM 2308 C PHE B 57 19.306 6.803 -0.321 1.00 0.47 C ATOM 2309 O PHE B 57 19.150 6.831 -1.542 1.00 0.49 O ATOM 2310 CB PHE B 57 18.754 4.661 0.866 1.00 0.48 C ATOM 2311 CG PHE B 57 17.906 4.063 -0.223 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.487 3.565 -1.380 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.526 3.996 -0.088 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.708 3.013 -2.379 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.745 3.444 -1.087 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.337 2.953 -2.233 1.00 0.64 C ATOM 0 H PHE B 57 20.380 5.698 2.393 1.00 0.50 H new ATOM 0 HA PHE B 57 20.479 5.023 -0.371 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.187 3.854 1.457 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.113 5.237 1.534 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.559 3.609 -1.501 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.057 4.379 0.807 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.173 2.628 -3.275 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.672 3.397 -0.970 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.728 2.522 -3.014 1.00 0.64 H new ATOM 2326 N LYS B 58 19.002 7.822 0.475 1.00 0.47 N ATOM 2327 CA LYS B 58 18.441 9.071 -0.036 1.00 0.48 C ATOM 2328 C LYS B 58 19.315 9.680 -1.128 1.00 0.49 C ATOM 2329 O LYS B 58 18.853 9.928 -2.243 1.00 0.53 O ATOM 2330 CB LYS B 58 18.282 10.076 1.103 1.00 0.53 C ATOM 2331 CG LYS B 58 17.062 9.834 1.975 1.00 0.62 C ATOM 2332 CD LYS B 58 17.041 10.768 3.175 1.00 0.70 C ATOM 2333 CE LYS B 58 16.838 12.219 2.760 1.00 0.77 C ATOM 2334 NZ LYS B 58 17.338 13.163 3.793 1.00 1.01 N ATOM 0 H LYS B 58 19.136 7.808 1.486 1.00 0.47 H new ATOM 0 HA LYS B 58 17.468 8.840 -0.469 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.174 10.045 1.728 1.00 0.53 H new ATOM 0 HB3 LYS B 58 18.222 11.080 0.682 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.157 9.978 1.385 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.058 8.799 2.318 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.242 10.469 3.854 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.978 10.675 3.724 1.00 0.70 H new ATOM 0 HE2 LYS B 58 17.355 12.404 1.818 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.778 12.402 2.583 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 17.229 14.140 3.453 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.793 13.039 4.670 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 18.343 12.972 3.980 1.00 1.01 H new ATOM 2348 N GLU B 59 20.589 9.885 -0.810 1.00 0.51 N ATOM 2349 CA GLU B 59 21.522 10.486 -1.755 1.00 0.56 C ATOM 2350 C GLU B 59 21.857 9.530 -2.898 1.00 0.57 C ATOM 2351 O GLU B 59 22.393 9.943 -3.926 1.00 0.65 O ATOM 2352 CB GLU B 59 22.797 10.931 -1.039 1.00 0.63 C ATOM 2353 CG GLU B 59 22.543 11.953 0.056 1.00 1.06 C ATOM 2354 CD GLU B 59 23.781 12.743 0.418 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.571 12.272 1.264 1.00 1.14 O ATOM 2356 OE2 GLU B 59 23.970 13.848 -0.132 1.00 1.30 O ATOM 0 H GLU B 59 20.998 9.644 0.093 1.00 0.51 H new ATOM 0 HA GLU B 59 21.037 11.362 -2.187 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.286 10.058 -0.606 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.487 11.354 -1.769 1.00 0.63 H new ATOM 0 HG2 GLU B 59 21.761 12.640 -0.268 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.171 11.442 0.944 1.00 1.06 H new ATOM 2363 N ALA B 60 21.539 8.255 -2.717 1.00 0.55 N ATOM 2364 CA ALA B 60 21.796 7.258 -3.748 1.00 0.57 C ATOM 2365 C ALA B 60 20.759 7.375 -4.862 1.00 0.56 C ATOM 2366 O ALA B 60 21.093 7.319 -6.045 1.00 0.59 O ATOM 2367 CB ALA B 60 21.789 5.856 -3.156 1.00 0.59 C ATOM 0 H ALA B 60 21.105 7.888 -1.870 1.00 0.55 H new ATOM 0 HA ALA B 60 22.784 7.442 -4.169 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.983 5.128 -3.943 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.563 5.780 -2.392 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.816 5.655 -2.708 1.00 0.59 H new ATOM 2373 N ILE B 61 19.503 7.568 -4.474 1.00 0.52 N ATOM 2374 CA ILE B 61 18.415 7.692 -5.436 1.00 0.52 C ATOM 2375 C ILE B 61 18.577 8.953 -6.281 1.00 0.55 C ATOM 2376 O ILE B 61 18.364 8.930 -7.492 1.00 0.59 O ATOM 2377 CB ILE B 61 17.037 7.729 -4.745 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.872 6.522 -3.819 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.922 7.765 -5.784 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.583 6.534 -3.028 1.00 0.56 C ATOM 0 H ILE B 61 19.213 7.642 -3.499 1.00 0.52 H new ATOM 0 HA ILE B 61 18.462 6.810 -6.075 1.00 0.52 H new ATOM 0 HB ILE B 61 16.974 8.635 -4.143 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.914 5.610 -4.415 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.713 6.489 -3.126 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.956 7.791 -5.280 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.032 8.654 -6.405 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.980 6.875 -6.411 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.537 5.648 -2.395 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.547 7.428 -2.405 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.735 6.535 -3.713 1.00 0.56 H new ATOM 2392 N SER B 62 18.982 10.044 -5.644 1.00 0.55 N ATOM 2393 CA SER B 62 19.166 11.312 -6.340 1.00 0.59 C ATOM 2394 C SER B 62 20.305 11.234 -7.355 1.00 0.63 C ATOM 2395 O SER B 62 20.362 12.021 -8.301 1.00 0.70 O ATOM 2396 CB SER B 62 19.438 12.420 -5.331 1.00 0.61 C ATOM 2397 OG SER B 62 20.170 11.925 -4.225 1.00 0.70 O ATOM 0 H SER B 62 19.190 10.077 -4.646 1.00 0.55 H new ATOM 0 HA SER B 62 18.249 11.534 -6.886 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.995 13.225 -5.810 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.495 12.845 -4.988 1.00 0.61 H new ATOM 0 HG SER B 62 20.873 11.320 -4.542 1.00 0.70 H new ATOM 2403 N LYS B 63 21.203 10.282 -7.159 1.00 0.63 N ATOM 2404 CA LYS B 63 22.331 10.108 -8.060 1.00 0.69 C ATOM 2405 C LYS B 63 21.987 9.118 -9.173 1.00 0.71 C ATOM 2406 O LYS B 63 22.331 9.333 -10.336 1.00 0.82 O ATOM 2407 CB LYS B 63 23.556 9.616 -7.281 1.00 0.72 C ATOM 2408 CG LYS B 63 24.845 9.622 -8.090 1.00 0.84 C ATOM 2409 CD LYS B 63 25.405 11.027 -8.255 1.00 1.00 C ATOM 2410 CE LYS B 63 26.078 11.511 -6.979 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.392 10.851 -6.749 1.00 1.28 N ATOM 0 H LYS B 63 21.173 9.618 -6.385 1.00 0.63 H new ATOM 0 HA LYS B 63 22.560 11.072 -8.514 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.689 10.243 -6.399 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.366 8.603 -6.926 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.585 8.992 -7.598 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.659 9.188 -9.072 1.00 0.84 H new ATOM 0 HD2 LYS B 63 26.124 11.040 -9.074 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.601 11.711 -8.526 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.220 12.590 -7.033 1.00 1.04 H new ATOM 0 HE3 LYS B 63 25.423 11.318 -6.129 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.896 11.338 -5.981 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.240 9.856 -6.487 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 27.960 10.896 -7.619 1.00 1.28 H new ATOM 2425 N ARG B 64 21.297 8.041 -8.807 1.00 0.67 N ATOM 2426 CA ARG B 64 20.924 6.999 -9.761 1.00 0.70 C ATOM 2427 C ARG B 64 19.707 7.389 -10.602 1.00 0.70 C ATOM 2428 O ARG B 64 19.714 7.237 -11.825 1.00 0.75 O ATOM 2429 CB ARG B 64 20.641 5.689 -9.022 1.00 0.70 C ATOM 2430 CG ARG B 64 21.835 5.140 -8.253 1.00 0.72 C ATOM 2431 CD ARG B 64 22.848 4.469 -9.176 1.00 0.81 C ATOM 2432 NE ARG B 64 23.745 5.429 -9.820 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.012 5.623 -9.454 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.537 4.936 -8.446 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.759 6.504 -10.105 1.00 1.07 N ATOM 0 H ARG B 64 20.983 7.866 -7.852 1.00 0.67 H new ATOM 0 HA ARG B 64 21.766 6.869 -10.441 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.816 5.847 -8.327 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.312 4.941 -9.743 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.321 5.951 -7.710 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.489 4.421 -7.510 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.438 3.754 -8.603 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.317 3.903 -9.942 1.00 0.81 H new ATOM 0 HE ARG B 64 23.379 5.982 -10.595 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.970 4.253 -7.944 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.508 5.092 -8.174 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.364 7.031 -10.884 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.729 6.655 -9.827 1.00 1.07 H new ATOM 2449 N PHE B 65 18.663 7.882 -9.950 1.00 0.67 N ATOM 2450 CA PHE B 65 17.437 8.270 -10.642 1.00 0.68 C ATOM 2451 C PHE B 65 17.513 9.707 -11.129 1.00 0.70 C ATOM 2452 O PHE B 65 17.039 10.020 -12.222 1.00 0.75 O ATOM 2453 CB PHE B 65 16.219 8.096 -9.727 1.00 0.66 C ATOM 2454 CG PHE B 65 15.279 7.019 -10.186 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.443 7.227 -11.271 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.231 5.800 -9.531 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.578 6.239 -11.698 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.369 4.806 -9.952 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.540 5.027 -11.038 1.00 1.00 C ATOM 0 H PHE B 65 18.639 8.024 -8.940 1.00 0.67 H new ATOM 0 HA PHE B 65 17.327 7.616 -11.507 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.561 7.864 -8.719 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.678 9.041 -9.671 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.468 8.174 -11.789 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.875 5.624 -8.682 1.00 0.88 H new ATOM 0 HE1 PHE B 65 12.933 6.414 -12.546 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.342 3.858 -9.435 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.864 4.252 -11.369 1.00 1.00 H new ATOM 2469 N LYS B 66 18.114 10.568 -10.314 1.00 0.68 N ATOM 2470 CA LYS B 66 18.273 11.983 -10.642 1.00 0.71 C ATOM 2471 C LYS B 66 16.919 12.691 -10.717 1.00 0.70 C ATOM 2472 O LYS B 66 16.283 12.753 -11.772 1.00 0.83 O ATOM 2473 CB LYS B 66 19.044 12.152 -11.957 1.00 0.79 C ATOM 2474 CG LYS B 66 19.461 13.585 -12.247 1.00 0.93 C ATOM 2475 CD LYS B 66 20.212 13.688 -13.564 1.00 1.05 C ATOM 2476 CE LYS B 66 19.298 13.446 -14.751 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.055 13.402 -16.028 1.00 1.27 N ATOM 0 H LYS B 66 18.504 10.306 -9.409 1.00 0.68 H new ATOM 0 HA LYS B 66 18.849 12.447 -9.842 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.934 11.524 -11.928 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.425 11.791 -12.778 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.578 14.223 -12.279 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.091 13.953 -11.437 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.665 14.676 -13.649 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.025 12.962 -13.577 1.00 1.05 H new ATOM 0 HE2 LYS B 66 18.763 12.506 -14.613 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.548 14.236 -14.800 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.397 13.235 -16.816 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.545 14.308 -16.172 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 20.753 12.632 -15.991 1.00 1.27 H new ATOM 2491 N SER B 67 16.485 13.209 -9.579 1.00 0.66 N ATOM 2492 CA SER B 67 15.218 13.919 -9.483 1.00 0.68 C ATOM 2493 C SER B 67 15.295 14.968 -8.380 1.00 0.69 C ATOM 2494 O SER B 67 15.438 16.161 -8.652 1.00 0.90 O ATOM 2495 CB SER B 67 14.075 12.941 -9.201 1.00 0.68 C ATOM 2496 OG SER B 67 13.974 11.957 -10.218 1.00 1.34 O ATOM 0 H SER B 67 16.998 13.150 -8.699 1.00 0.66 H new ATOM 0 HA SER B 67 15.021 14.414 -10.434 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.238 12.456 -8.238 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.135 13.488 -9.127 1.00 0.68 H new ATOM 0 HG SER B 67 13.237 11.346 -10.010 1.00 1.34 H new ATOM 2502 N GLN B 68 15.222 14.508 -7.136 1.00 0.59 N ATOM 2503 CA GLN B 68 15.291 15.382 -5.976 1.00 0.59 C ATOM 2504 C GLN B 68 15.890 14.612 -4.811 1.00 0.54 C ATOM 2505 O GLN B 68 16.241 13.445 -4.969 1.00 0.52 O ATOM 2506 CB GLN B 68 13.906 15.935 -5.617 1.00 0.64 C ATOM 2507 CG GLN B 68 13.609 17.264 -6.288 1.00 0.79 C ATOM 2508 CD GLN B 68 12.205 17.761 -6.028 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.280 16.977 -5.835 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.035 19.070 -6.048 1.00 1.09 N ATOM 0 H GLN B 68 15.114 13.520 -6.906 1.00 0.59 H new ATOM 0 HA GLN B 68 15.927 16.236 -6.208 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.145 15.210 -5.905 1.00 0.64 H new ATOM 0 HB3 GLN B 68 13.838 16.056 -4.536 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.322 18.009 -5.936 1.00 0.79 H new ATOM 0 HG3 GLN B 68 13.759 17.163 -7.363 1.00 0.79 H new ATOM 0 HE21 GLN B 68 12.832 19.685 -6.212 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.107 19.466 -5.899 1.00 1.09 H new ATOM 2519 N THR B 69 16.037 15.255 -3.661 1.00 0.56 N ATOM 2520 CA THR B 69 16.609 14.586 -2.499 1.00 0.56 C ATOM 2521 C THR B 69 15.903 14.990 -1.206 1.00 0.54 C ATOM 2522 O THR B 69 15.281 14.158 -0.543 1.00 0.55 O ATOM 2523 CB THR B 69 18.112 14.899 -2.367 1.00 0.63 C ATOM 2524 OG1 THR B 69 18.693 15.041 -3.672 1.00 0.74 O ATOM 2525 CG2 THR B 69 18.835 13.798 -1.599 1.00 0.70 C ATOM 0 H THR B 69 15.772 16.228 -3.507 1.00 0.56 H new ATOM 0 HA THR B 69 16.469 13.516 -2.655 1.00 0.56 H new ATOM 0 HB THR B 69 18.221 15.831 -1.813 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.648 15.241 -3.585 1.00 0.74 H new ATOM 0 HG21 THR B 69 19.894 14.044 -1.521 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.408 13.710 -0.600 1.00 0.70 H new ATOM 0 HG23 THR B 69 18.721 12.851 -2.127 1.00 0.70 H new ATOM 2533 N ASP B 70 15.981 16.266 -0.863 1.00 0.56 N ATOM 2534 CA ASP B 70 15.370 16.773 0.365 1.00 0.58 C ATOM 2535 C ASP B 70 13.860 16.539 0.387 1.00 0.55 C ATOM 2536 O ASP B 70 13.308 16.086 1.392 1.00 0.57 O ATOM 2537 CB ASP B 70 15.664 18.263 0.530 1.00 0.66 C ATOM 2538 CG ASP B 70 15.462 18.726 1.957 1.00 0.76 C ATOM 2539 OD1 ASP B 70 16.413 18.616 2.763 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.353 19.202 2.284 1.00 0.95 O ATOM 0 H ASP B 70 16.462 16.975 -1.417 1.00 0.56 H new ATOM 0 HA ASP B 70 15.808 16.222 1.197 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.691 18.466 0.225 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.015 18.836 -0.132 1.00 0.66 H new ATOM 2545 N GLN B 71 13.205 16.831 -0.728 1.00 0.56 N ATOM 2546 CA GLN B 71 11.757 16.668 -0.827 1.00 0.58 C ATOM 2547 C GLN B 71 11.378 15.251 -1.250 1.00 0.54 C ATOM 2548 O GLN B 71 10.201 14.911 -1.308 1.00 0.66 O ATOM 2549 CB GLN B 71 11.177 17.686 -1.811 1.00 0.65 C ATOM 2550 CG GLN B 71 11.320 19.125 -1.343 1.00 0.83 C ATOM 2551 CD GLN B 71 10.820 20.124 -2.366 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.642 20.486 -2.379 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.715 20.587 -3.225 1.00 1.18 N ATOM 0 H GLN B 71 13.650 17.181 -1.576 1.00 0.56 H new ATOM 0 HA GLN B 71 11.334 16.844 0.162 1.00 0.58 H new ATOM 0 HB2 GLN B 71 11.674 17.574 -2.774 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.121 17.466 -1.970 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.768 19.257 -0.412 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.368 19.329 -1.124 1.00 0.83 H new ATOM 0 HE21 GLN B 71 12.681 20.262 -3.180 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.439 21.269 -3.931 1.00 1.18 H new ATOM 2562 N LEU B 72 12.381 14.429 -1.529 1.00 0.51 N ATOM 2563 CA LEU B 72 12.151 13.047 -1.937 1.00 0.49 C ATOM 2564 C LEU B 72 11.869 12.189 -0.704 1.00 0.43 C ATOM 2565 O LEU B 72 12.775 11.884 0.072 1.00 0.51 O ATOM 2566 CB LEU B 72 13.371 12.512 -2.690 1.00 0.57 C ATOM 2567 CG LEU B 72 13.070 11.548 -3.837 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.488 12.296 -5.026 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.331 10.800 -4.247 1.00 1.00 C ATOM 0 H LEU B 72 13.365 14.695 -1.480 1.00 0.51 H new ATOM 0 HA LEU B 72 11.289 13.007 -2.602 1.00 0.49 H new ATOM 0 HB2 LEU B 72 13.930 13.359 -3.088 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.023 12.007 -1.977 1.00 0.57 H new ATOM 0 HG LEU B 72 12.333 10.823 -3.492 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.280 11.592 -5.832 1.00 0.88 H new ATOM 0 HD12 LEU B 72 11.563 12.790 -4.728 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.203 13.043 -5.371 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.100 10.118 -5.065 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.088 11.514 -4.573 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.710 10.232 -3.397 1.00 1.00 H new ATOM 2581 N VAL B 73 10.614 11.811 -0.521 1.00 0.37 N ATOM 2582 CA VAL B 73 10.216 11.017 0.635 1.00 0.35 C ATOM 2583 C VAL B 73 9.738 9.628 0.225 1.00 0.30 C ATOM 2584 O VAL B 73 9.161 9.451 -0.850 1.00 0.31 O ATOM 2585 CB VAL B 73 9.082 11.707 1.432 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.056 11.215 2.869 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.223 13.219 1.389 1.00 0.55 C ATOM 0 H VAL B 73 9.851 12.041 -1.158 1.00 0.37 H new ATOM 0 HA VAL B 73 11.103 10.926 1.263 1.00 0.35 H new ATOM 0 HB VAL B 73 8.136 11.443 0.960 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.251 11.713 3.410 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.889 10.138 2.882 1.00 0.46 H new ATOM 0 HG13 VAL B 73 10.009 11.440 3.348 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.413 13.676 1.957 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.180 13.508 1.824 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.178 13.559 0.354 1.00 0.55 H new ATOM 2597 N LEU B 74 9.989 8.651 1.086 1.00 0.30 N ATOM 2598 CA LEU B 74 9.560 7.282 0.844 1.00 0.29 C ATOM 2599 C LEU B 74 8.276 7.026 1.621 1.00 0.28 C ATOM 2600 O LEU B 74 8.052 7.638 2.664 1.00 0.36 O ATOM 2601 CB LEU B 74 10.639 6.271 1.265 1.00 0.33 C ATOM 2602 CG LEU B 74 11.915 6.244 0.408 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.593 6.475 -1.062 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.927 7.266 0.913 1.00 0.64 C ATOM 0 H LEU B 74 10.491 8.784 1.964 1.00 0.30 H new ATOM 0 HA LEU B 74 9.388 7.153 -0.224 1.00 0.29 H new ATOM 0 HB2 LEU B 74 10.923 6.482 2.296 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.198 5.274 1.254 1.00 0.33 H new ATOM 0 HG LEU B 74 12.360 5.253 0.499 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.514 6.451 -1.644 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.920 5.693 -1.414 1.00 0.57 H new ATOM 0 HD13 LEU B 74 11.114 7.447 -1.181 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.822 7.229 0.292 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.492 8.264 0.864 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.192 7.036 1.945 1.00 0.64 H new ATOM 2616 N ILE B 75 7.428 6.150 1.114 1.00 0.29 N ATOM 2617 CA ILE B 75 6.163 5.847 1.772 1.00 0.33 C ATOM 2618 C ILE B 75 6.025 4.361 2.059 1.00 0.31 C ATOM 2619 O ILE B 75 6.223 3.534 1.172 1.00 0.36 O ATOM 2620 CB ILE B 75 4.961 6.278 0.908 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.081 7.749 0.493 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.655 6.028 1.645 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.212 8.707 1.654 1.00 0.74 C ATOM 0 H ILE B 75 7.589 5.634 0.249 1.00 0.29 H new ATOM 0 HA ILE B 75 6.166 6.405 2.708 1.00 0.33 H new ATOM 0 HB ILE B 75 4.962 5.674 0.001 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.948 7.863 -0.158 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.204 8.023 -0.094 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.819 6.339 1.019 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.563 4.966 1.873 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.646 6.600 2.573 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.292 9.727 1.277 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.334 8.625 2.295 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.105 8.462 2.229 1.00 0.74 H new ATOM 2635 N PHE B 76 5.672 4.032 3.293 1.00 0.31 N ATOM 2636 CA PHE B 76 5.483 2.647 3.685 1.00 0.35 C ATOM 2637 C PHE B 76 4.039 2.415 4.120 1.00 0.31 C ATOM 2638 O PHE B 76 3.761 2.159 5.294 1.00 0.40 O ATOM 2639 CB PHE B 76 6.449 2.260 4.807 1.00 0.48 C ATOM 2640 CG PHE B 76 6.520 0.777 5.053 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.979 -0.075 4.064 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.125 0.240 6.268 1.00 0.62 C ATOM 2643 CE1 PHE B 76 7.041 -1.437 4.280 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.186 -1.123 6.491 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.643 -1.962 5.495 1.00 0.78 C ATOM 0 H PHE B 76 5.511 4.708 4.040 1.00 0.31 H new ATOM 0 HA PHE B 76 5.696 2.015 2.823 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.445 2.628 4.561 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.144 2.759 5.727 1.00 0.48 H new ATOM 0 HD1 PHE B 76 7.292 0.330 3.113 1.00 0.65 H new ATOM 0 HD2 PHE B 76 5.766 0.893 7.049 1.00 0.62 H new ATOM 0 HE1 PHE B 76 7.400 -2.092 3.500 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.877 -1.530 7.442 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.690 -3.028 5.665 1.00 0.78 H new ATOM 2655 N ALA B 77 3.124 2.579 3.164 1.00 0.40 N ATOM 2656 CA ALA B 77 1.693 2.367 3.387 1.00 0.48 C ATOM 2657 C ALA B 77 1.113 3.383 4.361 1.00 0.41 C ATOM 2658 O ALA B 77 0.936 3.097 5.545 1.00 0.44 O ATOM 2659 CB ALA B 77 1.422 0.940 3.865 1.00 0.62 C ATOM 0 H ALA B 77 3.354 2.863 2.212 1.00 0.40 H new ATOM 0 HA ALA B 77 1.191 2.512 2.430 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.352 0.807 4.024 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.768 0.232 3.112 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.953 0.763 4.800 1.00 0.62 H new ATOM 2665 N GLY B 78 0.814 4.571 3.848 1.00 0.46 N ATOM 2666 CA GLY B 78 0.240 5.617 4.674 1.00 0.54 C ATOM 2667 C GLY B 78 1.209 6.196 5.688 1.00 0.50 C ATOM 2668 O GLY B 78 0.783 6.758 6.698 1.00 0.63 O ATOM 0 H GLY B 78 0.959 4.829 2.872 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.120 6.419 4.030 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.627 5.217 5.200 1.00 0.54 H new ATOM 2672 N LYS B 79 2.504 6.077 5.425 1.00 0.42 N ATOM 2673 CA LYS B 79 3.512 6.592 6.347 1.00 0.43 C ATOM 2674 C LYS B 79 4.744 7.080 5.590 1.00 0.39 C ATOM 2675 O LYS B 79 5.180 6.448 4.629 1.00 0.43 O ATOM 2676 CB LYS B 79 3.906 5.507 7.354 1.00 0.50 C ATOM 2677 CG LYS B 79 3.725 5.923 8.803 1.00 0.72 C ATOM 2678 CD LYS B 79 2.286 6.331 9.090 1.00 1.16 C ATOM 2679 CE LYS B 79 2.037 6.458 10.581 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.703 7.045 10.873 1.00 2.02 N ATOM 0 H LYS B 79 2.881 5.632 4.588 1.00 0.42 H new ATOM 0 HA LYS B 79 3.085 7.439 6.884 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.310 4.614 7.165 1.00 0.50 H new ATOM 0 HB3 LYS B 79 4.949 5.234 7.191 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.008 5.099 9.458 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.392 6.754 9.030 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.070 7.281 8.601 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.605 5.593 8.667 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.111 5.475 11.046 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.813 7.080 11.027 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.711 7.471 11.822 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.483 7.776 10.167 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 -0.020 6.299 10.835 1.00 2.02 H new ATOM 2694 N ILE B 80 5.291 8.207 6.033 1.00 0.37 N ATOM 2695 CA ILE B 80 6.471 8.796 5.409 1.00 0.39 C ATOM 2696 C ILE B 80 7.753 8.292 6.059 1.00 0.39 C ATOM 2697 O ILE B 80 7.828 8.147 7.280 1.00 0.61 O ATOM 2698 CB ILE B 80 6.461 10.340 5.497 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.888 10.803 6.841 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.684 10.944 4.338 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.035 12.291 7.081 1.00 1.18 C ATOM 0 H ILE B 80 4.932 8.735 6.829 1.00 0.37 H new ATOM 0 HA ILE B 80 6.441 8.493 4.362 1.00 0.39 H new ATOM 0 HB ILE B 80 7.491 10.691 5.429 1.00 0.52 H new ATOM 0 HG12 ILE B 80 4.832 10.538 6.887 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.387 10.262 7.645 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.691 12.031 4.422 1.00 0.97 H new ATOM 0 HG22 ILE B 80 6.148 10.650 3.396 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.655 10.585 4.363 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.608 12.547 8.051 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.091 12.559 7.068 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.512 12.839 6.298 1.00 1.18 H new ATOM 2713 N LEU B 81 8.752 8.025 5.231 1.00 0.30 N ATOM 2714 CA LEU B 81 10.048 7.546 5.696 1.00 0.34 C ATOM 2715 C LEU B 81 11.142 8.497 5.228 1.00 0.36 C ATOM 2716 O LEU B 81 11.150 8.911 4.062 1.00 0.46 O ATOM 2717 CB LEU B 81 10.327 6.136 5.159 1.00 0.44 C ATOM 2718 CG LEU B 81 9.784 4.980 6.004 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.267 4.939 5.952 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.374 3.657 5.536 1.00 0.78 C ATOM 0 H LEU B 81 8.689 8.134 4.219 1.00 0.30 H new ATOM 0 HA LEU B 81 10.036 7.508 6.785 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.903 6.059 4.158 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.405 6.013 5.059 1.00 0.44 H new ATOM 0 HG LEU B 81 10.082 5.144 7.040 1.00 0.57 H new ATOM 0 HD11 LEU B 81 7.904 4.110 6.560 1.00 1.01 H new ATOM 0 HD12 LEU B 81 7.864 5.875 6.338 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.942 4.802 4.921 1.00 1.01 H new ATOM 0 HD21 LEU B 81 9.978 2.846 6.147 1.00 0.78 H new ATOM 0 HD22 LEU B 81 10.108 3.489 4.492 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.459 3.688 5.633 1.00 0.78 H new ATOM 2732 N LYS B 82 12.057 8.848 6.123 1.00 0.39 N ATOM 2733 CA LYS B 82 13.144 9.758 5.781 1.00 0.47 C ATOM 2734 C LYS B 82 14.249 9.699 6.839 1.00 0.49 C ATOM 2735 O LYS B 82 14.974 8.714 6.922 1.00 0.63 O ATOM 2736 CB LYS B 82 12.616 11.195 5.610 1.00 0.54 C ATOM 2737 CG LYS B 82 13.572 12.114 4.862 1.00 0.94 C ATOM 2738 CD LYS B 82 13.046 13.539 4.781 1.00 1.01 C ATOM 2739 CE LYS B 82 12.085 13.719 3.618 1.00 1.22 C ATOM 2740 NZ LYS B 82 11.562 15.108 3.538 1.00 1.35 N ATOM 0 H LYS B 82 12.069 8.518 7.088 1.00 0.39 H new ATOM 0 HA LYS B 82 13.572 9.442 4.830 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.666 11.162 5.077 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.415 11.618 6.594 1.00 0.54 H new ATOM 0 HG2 LYS B 82 14.541 12.113 5.361 1.00 0.94 H new ATOM 0 HG3 LYS B 82 13.732 11.729 3.855 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.541 13.794 5.713 1.00 1.01 H new ATOM 0 HD3 LYS B 82 13.882 14.230 4.672 1.00 1.01 H new ATOM 0 HE2 LYS B 82 12.592 13.468 2.686 1.00 1.22 H new ATOM 0 HE3 LYS B 82 11.252 13.024 3.725 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 10.552 15.085 3.289 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 11.681 15.577 4.458 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 12.086 15.635 2.810 1.00 1.35 H new ATOM 2754 N ASP B 83 14.386 10.749 7.642 1.00 0.60 N ATOM 2755 CA ASP B 83 15.406 10.777 8.689 1.00 0.68 C ATOM 2756 C ASP B 83 14.743 10.851 10.050 1.00 0.68 C ATOM 2757 O ASP B 83 15.382 11.166 11.051 1.00 0.89 O ATOM 2758 CB ASP B 83 16.374 11.959 8.525 1.00 0.88 C ATOM 2759 CG ASP B 83 16.133 12.774 7.272 1.00 1.20 C ATOM 2760 OD1 ASP B 83 16.624 12.373 6.194 1.00 1.56 O ATOM 2761 OD2 ASP B 83 15.459 13.823 7.362 1.00 1.52 O ATOM 0 H ASP B 83 13.808 11.588 7.590 1.00 0.60 H new ATOM 0 HA ASP B 83 15.987 9.859 8.603 1.00 0.68 H new ATOM 0 HB2 ASP B 83 16.288 12.611 9.394 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.396 11.581 8.511 1.00 0.88 H new ATOM 2766 N GLN B 84 13.457 10.561 10.078 1.00 0.60 N ATOM 2767 CA GLN B 84 12.698 10.584 11.315 1.00 0.67 C ATOM 2768 C GLN B 84 12.465 9.160 11.787 1.00 0.61 C ATOM 2769 O GLN B 84 11.830 8.925 12.814 1.00 0.81 O ATOM 2770 CB GLN B 84 11.361 11.296 11.104 1.00 0.77 C ATOM 2771 CG GLN B 84 11.506 12.744 10.671 1.00 0.93 C ATOM 2772 CD GLN B 84 10.194 13.361 10.233 1.00 1.13 C ATOM 2773 OE1 GLN B 84 9.126 13.003 10.725 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.267 14.297 9.300 1.00 1.28 N ATOM 0 H GLN B 84 12.913 10.305 9.254 1.00 0.60 H new ATOM 0 HA GLN B 84 13.261 11.129 12.073 1.00 0.67 H new ATOM 0 HB2 GLN B 84 10.786 10.756 10.352 1.00 0.77 H new ATOM 0 HB3 GLN B 84 10.788 11.258 12.031 1.00 0.77 H new ATOM 0 HG2 GLN B 84 11.918 13.325 11.496 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.222 12.803 9.851 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.173 14.566 8.917 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.417 14.750 8.964 1.00 1.28 H new ATOM 2783 N ASP B 85 12.992 8.216 11.024 1.00 0.52 N ATOM 2784 CA ASP B 85 12.847 6.806 11.327 1.00 0.51 C ATOM 2785 C ASP B 85 13.997 6.008 10.727 1.00 0.44 C ATOM 2786 O ASP B 85 14.944 6.575 10.176 1.00 0.48 O ATOM 2787 CB ASP B 85 11.510 6.295 10.783 1.00 0.61 C ATOM 2788 CG ASP B 85 11.492 6.184 9.270 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.770 7.201 8.587 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.187 5.083 8.764 1.00 0.86 O ATOM 0 H ASP B 85 13.531 8.408 10.179 1.00 0.52 H new ATOM 0 HA ASP B 85 12.867 6.676 12.409 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.297 5.318 11.217 1.00 0.61 H new ATOM 0 HB3 ASP B 85 10.713 6.966 11.103 1.00 0.61 H new ATOM 2795 N THR B 86 13.917 4.694 10.851 1.00 0.49 N ATOM 2796 CA THR B 86 14.940 3.818 10.319 1.00 0.47 C ATOM 2797 C THR B 86 14.314 2.781 9.391 1.00 0.42 C ATOM 2798 O THR B 86 13.370 2.084 9.772 1.00 0.41 O ATOM 2799 CB THR B 86 15.710 3.118 11.454 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.022 4.061 12.490 1.00 0.67 O ATOM 2801 CG2 THR B 86 16.993 2.486 10.939 1.00 0.67 C ATOM 0 H THR B 86 13.149 4.211 11.318 1.00 0.49 H new ATOM 0 HA THR B 86 15.646 4.424 9.751 1.00 0.47 H new ATOM 0 HB THR B 86 15.074 2.329 11.855 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.510 3.608 13.209 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.515 1.999 11.763 1.00 0.67 H new ATOM 0 HG22 THR B 86 16.753 1.747 10.174 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.632 3.258 10.510 1.00 0.67 H new ATOM 2809 N LEU B 87 14.853 2.689 8.179 1.00 0.43 N ATOM 2810 CA LEU B 87 14.359 1.765 7.158 1.00 0.42 C ATOM 2811 C LEU B 87 14.255 0.331 7.676 1.00 0.42 C ATOM 2812 O LEU B 87 13.217 -0.309 7.543 1.00 0.44 O ATOM 2813 CB LEU B 87 15.280 1.804 5.936 1.00 0.51 C ATOM 2814 CG LEU B 87 14.709 1.165 4.669 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.467 1.909 4.211 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.754 1.142 3.564 1.00 0.66 C ATOM 0 H LEU B 87 15.646 3.253 7.875 1.00 0.43 H new ATOM 0 HA LEU B 87 13.355 2.089 6.883 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.526 2.844 5.720 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.213 1.301 6.188 1.00 0.51 H new ATOM 0 HG LEU B 87 14.430 0.137 4.899 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.074 1.441 3.308 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.712 1.874 4.996 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.722 2.947 3.999 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.329 0.684 2.671 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.065 2.162 3.336 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.618 0.564 3.892 1.00 0.66 H new ATOM 2828 N ILE B 88 15.324 -0.158 8.283 1.00 0.47 N ATOM 2829 CA ILE B 88 15.356 -1.528 8.794 1.00 0.53 C ATOM 2830 C ILE B 88 14.552 -1.683 10.085 1.00 0.54 C ATOM 2831 O ILE B 88 14.440 -2.783 10.627 1.00 0.66 O ATOM 2832 CB ILE B 88 16.804 -1.995 9.054 1.00 0.62 C ATOM 2833 CG1 ILE B 88 17.443 -1.158 10.165 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.620 -1.901 7.773 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.569 -1.868 10.888 1.00 0.91 C ATOM 0 H ILE B 88 16.183 0.369 8.436 1.00 0.47 H new ATOM 0 HA ILE B 88 14.902 -2.148 8.021 1.00 0.53 H new ATOM 0 HB ILE B 88 16.786 -3.035 9.379 1.00 0.62 H new ATOM 0 HG12 ILE B 88 17.825 -0.231 9.736 1.00 0.65 H new ATOM 0 HG13 ILE B 88 16.675 -0.882 10.888 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.640 -2.233 7.966 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.171 -2.535 7.008 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.634 -0.868 7.425 1.00 0.67 H new ATOM 0 HD11 ILE B 88 18.974 -1.215 11.661 1.00 0.91 H new ATOM 0 HD12 ILE B 88 18.189 -2.781 11.347 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.356 -2.120 10.177 1.00 0.91 H new ATOM 2847 N GLN B 89 13.981 -0.592 10.572 1.00 0.48 N ATOM 2848 CA GLN B 89 13.214 -0.630 11.808 1.00 0.53 C ATOM 2849 C GLN B 89 11.729 -0.825 11.537 1.00 0.52 C ATOM 2850 O GLN B 89 11.154 -1.852 11.898 1.00 0.71 O ATOM 2851 CB GLN B 89 13.430 0.654 12.613 1.00 0.57 C ATOM 2852 CG GLN B 89 12.674 0.689 13.929 1.00 0.69 C ATOM 2853 CD GLN B 89 13.442 0.037 15.058 1.00 0.82 C ATOM 2854 OE1 GLN B 89 14.218 0.693 15.751 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.222 -1.254 15.261 1.00 0.89 N ATOM 0 H GLN B 89 14.034 0.327 10.133 1.00 0.48 H new ATOM 0 HA GLN B 89 13.569 -1.482 12.388 1.00 0.53 H new ATOM 0 HB2 GLN B 89 14.495 0.771 12.814 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.125 1.507 12.007 1.00 0.57 H new ATOM 0 HG2 GLN B 89 12.457 1.724 14.192 1.00 0.69 H new ATOM 0 HG3 GLN B 89 11.716 0.184 13.807 1.00 0.69 H new ATOM 0 HE21 GLN B 89 12.570 -1.761 14.662 1.00 0.89 H new ATOM 0 HE22 GLN B 89 13.705 -1.741 16.016 1.00 0.89 H new ATOM 2864 N HIS B 90 11.115 0.149 10.881 1.00 0.49 N ATOM 2865 CA HIS B 90 9.685 0.088 10.607 1.00 0.51 C ATOM 2866 C HIS B 90 9.393 0.111 9.109 1.00 0.50 C ATOM 2867 O HIS B 90 8.247 0.292 8.701 1.00 0.75 O ATOM 2868 CB HIS B 90 8.981 1.262 11.296 1.00 0.59 C ATOM 2869 CG HIS B 90 7.524 1.027 11.560 1.00 0.72 C ATOM 2870 ND1 HIS B 90 6.586 2.037 11.572 1.00 0.96 N ATOM 2871 CD2 HIS B 90 6.846 -0.113 11.838 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.398 1.528 11.845 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.531 0.229 12.011 1.00 1.10 N ATOM 0 H HIS B 90 11.580 0.986 10.530 1.00 0.49 H new ATOM 0 HA HIS B 90 9.306 -0.855 11.001 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.483 1.469 12.241 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.089 2.152 10.676 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.265 -1.106 11.910 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.475 2.083 11.919 1.00 1.14 H new ATOM 0 HE2 HIS B 90 4.776 -0.419 12.233 1.00 1.10 H new ATOM 2882 N GLY B 91 10.416 -0.087 8.295 1.00 0.45 N ATOM 2883 CA GLY B 91 10.221 -0.064 6.863 1.00 0.46 C ATOM 2884 C GLY B 91 10.533 -1.392 6.206 1.00 0.45 C ATOM 2885 O GLY B 91 9.942 -2.418 6.546 1.00 0.64 O ATOM 0 H GLY B 91 11.374 -0.262 8.598 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.188 0.210 6.646 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.854 0.709 6.427 1.00 0.46 H new ATOM 2889 N ILE B 92 11.483 -1.368 5.277 1.00 0.38 N ATOM 2890 CA ILE B 92 11.883 -2.559 4.538 1.00 0.39 C ATOM 2891 C ILE B 92 12.595 -3.559 5.439 1.00 0.41 C ATOM 2892 O ILE B 92 13.722 -3.329 5.876 1.00 0.46 O ATOM 2893 CB ILE B 92 12.814 -2.211 3.352 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.255 -1.031 2.545 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.019 -3.430 2.458 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.946 -1.324 1.849 1.00 0.43 C ATOM 0 H ILE B 92 11.995 -0.525 5.016 1.00 0.38 H new ATOM 0 HA ILE B 92 10.965 -3.004 4.154 1.00 0.39 H new ATOM 0 HB ILE B 92 13.782 -1.914 3.754 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.116 -0.181 3.213 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.992 -0.733 1.799 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.676 -3.167 1.629 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.471 -4.235 3.038 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.057 -3.761 2.067 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.619 -0.440 1.301 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.081 -2.152 1.153 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.192 -1.591 2.589 1.00 0.43 H new ATOM 2908 N HIS B 93 11.923 -4.663 5.725 1.00 0.46 N ATOM 2909 CA HIS B 93 12.503 -5.705 6.554 1.00 0.52 C ATOM 2910 C HIS B 93 13.164 -6.758 5.672 1.00 0.54 C ATOM 2911 O HIS B 93 14.265 -7.224 5.966 1.00 0.66 O ATOM 2912 CB HIS B 93 11.439 -6.336 7.462 1.00 0.58 C ATOM 2913 CG HIS B 93 11.061 -5.468 8.624 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.792 -4.968 8.811 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.799 -5.010 9.666 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.763 -4.241 9.911 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.967 -4.250 10.447 1.00 1.10 N ATOM 0 H HIS B 93 10.978 -4.859 5.396 1.00 0.46 H new ATOM 0 HA HIS B 93 13.263 -5.262 7.197 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.548 -6.549 6.872 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.810 -7.290 7.836 1.00 0.58 H new ATOM 0 HD2 HIS B 93 12.845 -5.207 9.846 1.00 1.25 H new ATOM 0 HE1 HIS B 93 8.900 -3.726 10.305 1.00 1.14 H new ATOM 0 HE2 HIS B 93 11.237 -3.769 11.305 1.00 1.10 H new ATOM 2926 N ASP B 94 12.484 -7.119 4.585 1.00 0.58 N ATOM 2927 CA ASP B 94 13.000 -8.103 3.634 1.00 0.63 C ATOM 2928 C ASP B 94 12.126 -8.140 2.389 1.00 0.78 C ATOM 2929 O ASP B 94 11.139 -8.874 2.338 1.00 1.65 O ATOM 2930 CB ASP B 94 13.050 -9.499 4.264 1.00 0.67 C ATOM 2931 CG ASP B 94 13.825 -10.498 3.421 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.217 -11.154 2.547 1.00 1.08 O ATOM 2933 OD2 ASP B 94 15.043 -10.649 3.643 1.00 0.92 O ATOM 0 H ASP B 94 11.568 -6.742 4.340 1.00 0.58 H new ATOM 0 HA ASP B 94 14.012 -7.806 3.359 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.508 -9.431 5.251 1.00 0.67 H new ATOM 0 HB3 ASP B 94 12.033 -9.864 4.409 1.00 0.67 H new ATOM 2938 N GLY B 95 12.467 -7.317 1.407 1.00 0.57 N ATOM 2939 CA GLY B 95 11.710 -7.284 0.170 1.00 0.52 C ATOM 2940 C GLY B 95 10.343 -6.655 0.331 1.00 0.46 C ATOM 2941 O GLY B 95 9.350 -7.349 0.557 1.00 0.53 O ATOM 0 H GLY B 95 13.255 -6.671 1.444 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.273 -6.729 -0.580 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.594 -8.300 -0.206 1.00 0.52 H new ATOM 2945 N LEU B 96 10.291 -5.339 0.221 1.00 0.41 N ATOM 2946 CA LEU B 96 9.040 -4.612 0.349 1.00 0.40 C ATOM 2947 C LEU B 96 9.004 -3.447 -0.627 1.00 0.37 C ATOM 2948 O LEU B 96 10.046 -2.974 -1.086 1.00 0.41 O ATOM 2949 CB LEU B 96 8.850 -4.108 1.782 1.00 0.44 C ATOM 2950 CG LEU B 96 8.224 -5.116 2.749 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.636 -4.816 4.180 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.710 -5.100 2.624 1.00 0.70 C ATOM 0 H LEU B 96 11.104 -4.750 0.043 1.00 0.41 H new ATOM 0 HA LEU B 96 8.223 -5.294 0.113 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.820 -3.805 2.176 1.00 0.44 H new ATOM 0 HB3 LEU B 96 8.224 -3.216 1.757 1.00 0.44 H new ATOM 0 HG LEU B 96 8.587 -6.110 2.487 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.180 -5.544 4.850 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.721 -4.874 4.266 1.00 0.58 H new ATOM 0 HD13 LEU B 96 8.303 -3.814 4.452 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.280 -5.822 3.318 1.00 0.70 H new ATOM 0 HD22 LEU B 96 6.336 -4.104 2.859 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.426 -5.363 1.605 1.00 0.70 H new ATOM 2964 N THR B 97 7.801 -2.997 -0.945 1.00 0.39 N ATOM 2965 CA THR B 97 7.611 -1.897 -1.872 1.00 0.39 C ATOM 2966 C THR B 97 7.343 -0.593 -1.133 1.00 0.37 C ATOM 2967 O THR B 97 6.613 -0.572 -0.144 1.00 0.46 O ATOM 2968 CB THR B 97 6.425 -2.190 -2.804 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.423 -2.919 -2.084 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.864 -2.991 -4.020 1.00 0.78 C ATOM 0 H THR B 97 6.934 -3.382 -0.570 1.00 0.39 H new ATOM 0 HA THR B 97 8.528 -1.793 -2.453 1.00 0.39 H new ATOM 0 HB THR B 97 6.019 -1.240 -3.152 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.832 -3.376 -2.718 1.00 0.83 H new ATOM 0 HG21 THR B 97 6.003 -3.182 -4.660 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.612 -2.426 -4.577 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.293 -3.939 -3.696 1.00 0.78 H new ATOM 2978 N VAL B 98 7.941 0.486 -1.613 1.00 0.33 N ATOM 2979 CA VAL B 98 7.753 1.804 -1.022 1.00 0.31 C ATOM 2980 C VAL B 98 7.353 2.803 -2.099 1.00 0.30 C ATOM 2981 O VAL B 98 7.707 2.641 -3.264 1.00 0.36 O ATOM 2982 CB VAL B 98 9.022 2.308 -0.302 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.116 1.711 1.095 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.266 1.993 -1.117 1.00 0.34 C ATOM 0 H VAL B 98 8.567 0.475 -2.418 1.00 0.33 H new ATOM 0 HA VAL B 98 6.961 1.714 -0.278 1.00 0.31 H new ATOM 0 HB VAL B 98 8.954 3.391 -0.203 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.017 2.077 1.587 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.241 2.003 1.675 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.158 0.624 1.024 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.148 2.357 -0.590 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.346 0.915 -1.257 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.197 2.481 -2.089 1.00 0.34 H new ATOM 2994 N HIS B 99 6.607 3.826 -1.716 1.00 0.29 N ATOM 2995 CA HIS B 99 6.159 4.838 -2.668 1.00 0.31 C ATOM 2996 C HIS B 99 7.064 6.056 -2.623 1.00 0.30 C ATOM 2997 O HIS B 99 7.563 6.418 -1.565 1.00 0.47 O ATOM 2998 CB HIS B 99 4.722 5.258 -2.353 1.00 0.38 C ATOM 2999 CG HIS B 99 3.861 5.439 -3.559 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.948 4.496 -3.970 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.758 6.468 -4.437 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.326 4.931 -5.042 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.793 6.124 -5.346 1.00 0.81 N ATOM 0 H HIS B 99 6.298 3.981 -0.756 1.00 0.29 H new ATOM 0 HA HIS B 99 6.200 4.406 -3.668 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.269 4.507 -1.706 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.743 6.192 -1.791 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.780 3.599 -3.514 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.329 7.385 -4.422 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.559 4.398 -5.584 1.00 0.81 H new ATOM 3012 N LEU B 100 7.288 6.676 -3.773 1.00 0.31 N ATOM 3013 CA LEU B 100 8.123 7.866 -3.845 1.00 0.32 C ATOM 3014 C LEU B 100 7.261 9.110 -4.039 1.00 0.32 C ATOM 3015 O LEU B 100 6.483 9.191 -4.995 1.00 0.40 O ATOM 3016 CB LEU B 100 9.129 7.740 -4.992 1.00 0.37 C ATOM 3017 CG LEU B 100 10.138 8.885 -5.102 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.556 8.354 -4.979 1.00 0.85 C ATOM 3019 CD2 LEU B 100 9.955 9.633 -6.414 1.00 0.91 C ATOM 0 H LEU B 100 6.903 6.375 -4.668 1.00 0.31 H new ATOM 0 HA LEU B 100 8.669 7.962 -2.907 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.676 6.805 -4.873 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.579 7.670 -5.930 1.00 0.37 H new ATOM 0 HG LEU B 100 9.961 9.584 -4.284 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.262 9.180 -5.059 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.679 7.864 -4.013 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.746 7.636 -5.777 1.00 0.85 H new ATOM 0 HD21 LEU B 100 10.681 10.444 -6.475 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.106 8.947 -7.248 1.00 0.91 H new ATOM 0 HD23 LEU B 100 8.947 10.045 -6.461 1.00 0.91 H new ATOM 3031 N VAL B 101 7.384 10.060 -3.119 1.00 0.30 N ATOM 3032 CA VAL B 101 6.625 11.306 -3.189 1.00 0.32 C ATOM 3033 C VAL B 101 7.550 12.502 -2.993 1.00 0.33 C ATOM 3034 O VAL B 101 8.707 12.338 -2.601 1.00 0.38 O ATOM 3035 CB VAL B 101 5.498 11.365 -2.133 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.464 10.274 -2.374 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.068 11.268 -0.725 1.00 0.52 C ATOM 0 H VAL B 101 8.004 9.992 -2.312 1.00 0.30 H new ATOM 0 HA VAL B 101 6.168 11.341 -4.178 1.00 0.32 H new ATOM 0 HB VAL B 101 4.998 12.329 -2.231 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.683 10.339 -1.616 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.023 10.403 -3.362 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.945 9.298 -2.316 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.255 11.312 0.000 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.604 10.325 -0.613 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.754 12.097 -0.552 1.00 0.52 H new ATOM 3047 N ILE B 102 7.039 13.701 -3.265 1.00 0.36 N ATOM 3048 CA ILE B 102 7.826 14.922 -3.121 1.00 0.41 C ATOM 3049 C ILE B 102 7.006 16.030 -2.450 1.00 0.51 C ATOM 3050 O ILE B 102 6.799 17.108 -3.012 1.00 0.79 O ATOM 3051 CB ILE B 102 8.378 15.430 -4.480 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.277 15.483 -5.556 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.543 14.563 -4.936 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.118 14.210 -6.370 1.00 1.32 C ATOM 0 H ILE B 102 6.083 13.852 -3.586 1.00 0.36 H new ATOM 0 HA ILE B 102 8.676 14.669 -2.487 1.00 0.41 H new ATOM 0 HB ILE B 102 8.738 16.449 -4.335 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.327 15.709 -5.072 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.493 16.307 -6.236 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.919 14.932 -5.890 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.339 14.603 -4.192 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.206 13.533 -5.052 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.320 14.343 -7.101 1.00 1.32 H new ATOM 0 HD12 ILE B 102 8.052 13.990 -6.888 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.868 13.383 -5.706 1.00 1.32 H new ATOM 3066 N LYS B 103 6.550 15.757 -1.233 1.00 0.59 N ATOM 3067 CA LYS B 103 5.749 16.713 -0.474 1.00 0.76 C ATOM 3068 C LYS B 103 6.449 17.060 0.832 1.00 0.91 C ATOM 3069 O LYS B 103 6.877 16.124 1.538 1.00 1.07 O ATOM 3070 CB LYS B 103 4.354 16.146 -0.179 1.00 0.86 C ATOM 3071 CG LYS B 103 3.522 15.876 -1.423 1.00 1.00 C ATOM 3072 CD LYS B 103 2.124 15.392 -1.070 1.00 1.15 C ATOM 3073 CE LYS B 103 1.327 15.036 -2.315 1.00 1.32 C ATOM 3074 NZ LYS B 103 -0.100 14.738 -2.008 1.00 1.74 N ATOM 3075 OXT LYS B 103 6.568 18.264 1.153 1.00 1.20 O ATOM 0 H LYS B 103 6.722 14.877 -0.748 1.00 0.59 H new ATOM 0 HA LYS B 103 5.636 17.615 -1.075 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.461 15.218 0.383 1.00 0.86 H new ATOM 0 HB3 LYS B 103 3.816 16.846 0.461 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.452 16.786 -2.019 1.00 1.00 H new ATOM 0 HG3 LYS B 103 4.021 15.128 -2.040 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.193 14.520 -0.419 1.00 1.15 H new ATOM 0 HD3 LYS B 103 1.600 16.167 -0.510 1.00 1.15 H new ATOM 0 HE2 LYS B 103 1.379 15.862 -3.025 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.780 14.171 -2.799 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 -0.690 14.981 -2.830 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 -0.205 13.726 -1.793 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 -0.403 15.299 -1.187 1.00 1.74 H new