USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 661 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: A 82 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.12) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 ASN : amide:sc= -1.44 K(o=-1,f=-3.7!) USER MOD Set 2.2: A 33 THR OG1 : rot 102:sc= 1.07 USER MOD Set 2.3: A 41 THR OG1 : rot -39:sc= -0.649 USER MOD Set 3.1: A 26 GLN : amide:sc=-0.00966 X(o=-0.3,f=-0.52) USER MOD Set 3.2: A 29 MET CE :methyl -153:sc= -0.294 (180deg=-1.07) USER MOD Single : A 7 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 0.465 (180deg=0.17) USER MOD Single : A 11 THR OG1 : rot -37:sc= 0.017 USER MOD Single : A 13 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 14 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.4 X(o=-3.4,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.675 X(o=-0.68,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= -0.206 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= 0.625 (180deg=-0.245) USER MOD Single : A 48 HIS : no HE2:sc= -3.94! C(o=-3.9!,f=-5.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 80:sc= 1.02 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 130:sc= -0.392 USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.167 (180deg=-0.689) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0498 (180deg=-0.301) USER MOD Single : A 66 TYR OH : rot -29:sc= -0.263 USER MOD Single : A 67 MET CE :methyl -162:sc= -0.0252 (180deg=-0.405) USER MOD Single : A 69 SER OG : rot 85:sc= 1.01 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.81) USER MOD Single : A 73 LYS NZ :NH3+ -149:sc= 0.811 (180deg=0.177) USER MOD Single : A 77 MET CE :methyl -148:sc= -0.0607 (180deg=-0.488) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= 0.529 F(o=0,f=0.53) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 6 2.106 0.902 -2.429 1.00 2.25 N ATOM 2 CA VAL A 6 2.421 1.201 -3.820 1.00 54.25 C ATOM 3 C VAL A 6 1.379 2.131 -4.432 1.00 12.43 C ATOM 4 O VAL A 6 1.719 3.080 -5.139 1.00 34.35 O ATOM 5 CB VAL A 6 2.504 -0.084 -4.665 1.00 43.15 C ATOM 6 CG1 VAL A 6 3.803 -0.824 -4.385 1.00 31.35 C ATOM 7 CG2 VAL A 6 1.303 -0.977 -4.396 1.00 73.14 C ATOM 0 HA VAL A 6 3.393 1.695 -3.825 1.00 54.25 H new ATOM 0 HB VAL A 6 2.492 0.193 -5.719 1.00 43.15 H new ATOM 0 HG11 VAL A 6 3.844 -1.729 -4.991 1.00 31.35 H new ATOM 0 HG12 VAL A 6 4.648 -0.182 -4.634 1.00 31.35 H new ATOM 0 HG13 VAL A 6 3.849 -1.092 -3.329 1.00 31.35 H new ATOM 0 HG21 VAL A 6 1.378 -1.880 -5.002 1.00 73.14 H new ATOM 0 HG22 VAL A 6 1.281 -1.248 -3.341 1.00 73.14 H new ATOM 0 HG23 VAL A 6 0.388 -0.443 -4.653 1.00 73.14 H new ATOM 17 N GLN A 7 0.109 1.853 -4.154 1.00 23.02 N ATOM 18 CA GLN A 7 -0.983 2.665 -4.677 1.00 4.51 C ATOM 19 C GLN A 7 -2.333 2.119 -4.225 1.00 62.21 C ATOM 20 O GLN A 7 -3.277 2.877 -4.000 1.00 64.34 O ATOM 21 CB GLN A 7 -0.924 2.714 -6.205 1.00 21.43 C ATOM 22 CG GLN A 7 -0.600 1.373 -6.844 1.00 34.34 C ATOM 23 CD GLN A 7 -1.133 1.256 -8.258 1.00 52.51 C ATOM 24 OE1 GLN A 7 -0.901 2.129 -9.095 1.00 42.21 O ATOM 25 NE2 GLN A 7 -1.853 0.175 -8.533 1.00 22.21 N ATOM 0 H GLN A 7 -0.189 1.072 -3.570 1.00 23.02 H new ATOM 0 HA GLN A 7 -0.871 3.675 -4.284 1.00 4.51 H new ATOM 0 HB2 GLN A 7 -1.882 3.067 -6.586 1.00 21.43 H new ATOM 0 HB3 GLN A 7 -0.172 3.443 -6.508 1.00 21.43 H new ATOM 0 HG2 GLN A 7 0.481 1.232 -6.854 1.00 34.34 H new ATOM 0 HG3 GLN A 7 -1.020 0.573 -6.234 1.00 34.34 H new ATOM 0 HE21 GLN A 7 -2.021 -0.524 -7.809 1.00 22.21 H new ATOM 0 HE22 GLN A 7 -2.238 0.043 -9.468 1.00 22.21 H new ATOM 34 N ASP A 8 -2.417 0.800 -4.094 1.00 75.44 N ATOM 35 CA ASP A 8 -3.652 0.151 -3.669 1.00 13.14 C ATOM 36 C ASP A 8 -3.672 -0.040 -2.155 1.00 62.23 C ATOM 37 O ASP A 8 -4.736 -0.146 -1.545 1.00 51.14 O ATOM 38 CB ASP A 8 -3.812 -1.200 -4.368 1.00 45.31 C ATOM 39 CG ASP A 8 -3.243 -1.195 -5.773 1.00 51.55 C ATOM 40 OD1 ASP A 8 -3.900 -0.636 -6.677 1.00 44.14 O ATOM 41 OD2 ASP A 8 -2.141 -1.748 -5.969 1.00 73.34 O ATOM 0 H ASP A 8 -1.645 0.159 -4.276 1.00 75.44 H new ATOM 0 HA ASP A 8 -4.486 0.795 -3.948 1.00 13.14 H new ATOM 0 HB2 ASP A 8 -3.314 -1.971 -3.780 1.00 45.31 H new ATOM 0 HB3 ASP A 8 -4.869 -1.462 -4.408 1.00 45.31 H new ATOM 46 N LYS A 9 -2.487 -0.085 -1.555 1.00 35.05 N ATOM 47 CA LYS A 9 -2.367 -0.264 -0.112 1.00 42.55 C ATOM 48 C LYS A 9 -2.603 1.053 0.620 1.00 12.24 C ATOM 49 O LYS A 9 -3.014 1.063 1.781 1.00 52.41 O ATOM 50 CB LYS A 9 -0.983 -0.814 0.240 1.00 72.40 C ATOM 51 CG LYS A 9 0.161 0.060 -0.244 1.00 72.41 C ATOM 52 CD LYS A 9 0.726 0.911 0.880 1.00 2.31 C ATOM 53 CE LYS A 9 2.220 1.139 0.709 1.00 2.42 C ATOM 54 NZ LYS A 9 2.514 2.478 0.127 1.00 11.31 N ATOM 0 H LYS A 9 -1.596 -0.000 -2.045 1.00 35.05 H new ATOM 0 HA LYS A 9 -3.127 -0.978 0.206 1.00 42.55 H new ATOM 0 HB2 LYS A 9 -0.911 -0.926 1.322 1.00 72.40 H new ATOM 0 HB3 LYS A 9 -0.876 -1.809 -0.192 1.00 72.40 H new ATOM 0 HG2 LYS A 9 0.950 -0.568 -0.658 1.00 72.41 H new ATOM 0 HG3 LYS A 9 -0.189 0.705 -1.050 1.00 72.41 H new ATOM 0 HD2 LYS A 9 0.211 1.871 0.905 1.00 2.31 H new ATOM 0 HD3 LYS A 9 0.538 0.423 1.837 1.00 2.31 H new ATOM 0 HE2 LYS A 9 2.714 1.047 1.676 1.00 2.42 H new ATOM 0 HE3 LYS A 9 2.634 0.364 0.064 1.00 2.42 H new ATOM 0 HZ1 LYS A 9 3.472 2.774 0.404 1.00 11.31 H new ATOM 0 HZ2 LYS A 9 2.454 2.427 -0.910 1.00 11.31 H new ATOM 0 HZ3 LYS A 9 1.822 3.169 0.480 1.00 11.31 H new ATOM 68 N ASP A 10 -2.342 2.161 -0.064 1.00 54.14 N ATOM 69 CA ASP A 10 -2.529 3.484 0.521 1.00 74.31 C ATOM 70 C ASP A 10 -3.923 4.022 0.214 1.00 75.32 C ATOM 71 O ASP A 10 -4.371 4.998 0.817 1.00 73.24 O ATOM 72 CB ASP A 10 -1.468 4.452 -0.004 1.00 74.04 C ATOM 73 CG ASP A 10 -0.848 5.286 1.100 1.00 74.15 C ATOM 74 OD1 ASP A 10 -1.510 6.235 1.568 1.00 12.32 O ATOM 75 OD2 ASP A 10 0.299 4.990 1.494 1.00 20.33 O ATOM 0 H ASP A 10 -2.000 2.170 -1.025 1.00 54.14 H new ATOM 0 HA ASP A 10 -2.424 3.394 1.602 1.00 74.31 H new ATOM 0 HB2 ASP A 10 -0.686 3.888 -0.512 1.00 74.04 H new ATOM 0 HB3 ASP A 10 -1.918 5.112 -0.745 1.00 74.04 H new ATOM 80 N THR A 11 -4.606 3.379 -0.729 1.00 41.21 N ATOM 81 CA THR A 11 -5.948 3.794 -1.118 1.00 43.02 C ATOM 82 C THR A 11 -6.983 3.337 -0.096 1.00 65.04 C ATOM 83 O THR A 11 -8.105 3.843 -0.065 1.00 51.13 O ATOM 84 CB THR A 11 -6.329 3.236 -2.503 1.00 2.44 C ATOM 85 OG1 THR A 11 -7.408 3.997 -3.057 1.00 33.32 O ATOM 86 CG2 THR A 11 -6.731 1.773 -2.404 1.00 61.44 C ATOM 0 H THR A 11 -4.251 2.569 -1.237 1.00 41.21 H new ATOM 0 HA THR A 11 -5.942 4.883 -1.162 1.00 43.02 H new ATOM 0 HB THR A 11 -5.459 3.314 -3.155 1.00 2.44 H new ATOM 0 HG1 THR A 11 -8.028 4.253 -2.343 1.00 33.32 H new ATOM 0 HG21 THR A 11 -6.996 1.401 -3.394 1.00 61.44 H new ATOM 0 HG22 THR A 11 -5.897 1.193 -2.009 1.00 61.44 H new ATOM 0 HG23 THR A 11 -7.589 1.676 -1.738 1.00 61.44 H new ATOM 94 N LEU A 12 -6.599 2.378 0.739 1.00 44.11 N ATOM 95 CA LEU A 12 -7.494 1.853 1.764 1.00 22.30 C ATOM 96 C LEU A 12 -7.505 2.757 2.992 1.00 13.03 C ATOM 97 O LEU A 12 -6.458 3.051 3.569 1.00 52.01 O ATOM 98 CB LEU A 12 -7.071 0.438 2.162 1.00 25.23 C ATOM 99 CG LEU A 12 -5.730 0.318 2.889 1.00 75.52 C ATOM 100 CD1 LEU A 12 -5.939 0.307 4.395 1.00 11.02 C ATOM 101 CD2 LEU A 12 -4.992 -0.936 2.442 1.00 11.21 C ATOM 0 H LEU A 12 -5.674 1.948 0.726 1.00 44.11 H new ATOM 0 HA LEU A 12 -8.502 1.821 1.350 1.00 22.30 H new ATOM 0 HB2 LEU A 12 -7.847 0.014 2.800 1.00 25.23 H new ATOM 0 HB3 LEU A 12 -7.029 -0.174 1.261 1.00 25.23 H new ATOM 0 HG LEU A 12 -5.121 1.185 2.634 1.00 75.52 H new ATOM 0 HD11 LEU A 12 -4.975 0.221 4.896 1.00 11.02 H new ATOM 0 HD12 LEU A 12 -6.426 1.233 4.702 1.00 11.02 H new ATOM 0 HD13 LEU A 12 -6.567 -0.541 4.669 1.00 11.02 H new ATOM 0 HD21 LEU A 12 -4.040 -1.005 2.969 1.00 11.21 H new ATOM 0 HD22 LEU A 12 -5.597 -1.814 2.668 1.00 11.21 H new ATOM 0 HD23 LEU A 12 -4.809 -0.888 1.368 1.00 11.21 H new ATOM 113 N SER A 13 -8.697 3.193 3.388 1.00 3.35 N ATOM 114 CA SER A 13 -8.845 4.065 4.548 1.00 44.53 C ATOM 115 C SER A 13 -9.284 3.270 5.773 1.00 3.14 C ATOM 116 O SER A 13 -9.295 2.040 5.757 1.00 4.13 O ATOM 117 CB SER A 13 -9.859 5.172 4.254 1.00 52.23 C ATOM 118 OG SER A 13 -10.295 5.120 2.906 1.00 23.12 O ATOM 0 H SER A 13 -9.574 2.957 2.923 1.00 3.35 H new ATOM 0 HA SER A 13 -7.875 4.516 4.758 1.00 44.53 H new ATOM 0 HB2 SER A 13 -10.716 5.071 4.921 1.00 52.23 H new ATOM 0 HB3 SER A 13 -9.410 6.144 4.457 1.00 52.23 H new ATOM 0 HG SER A 13 -10.944 5.837 2.744 1.00 23.12 H new ATOM 124 N ASN A 14 -9.645 3.983 6.835 1.00 11.03 N ATOM 125 CA ASN A 14 -10.085 3.345 8.071 1.00 63.22 C ATOM 126 C ASN A 14 -11.337 2.506 7.834 1.00 62.30 C ATOM 127 O ASN A 14 -11.635 1.589 8.598 1.00 33.41 O ATOM 128 CB ASN A 14 -10.360 4.400 9.144 1.00 23.34 C ATOM 129 CG ASN A 14 -11.562 5.262 8.813 1.00 52.21 C ATOM 130 OD1 ASN A 14 -11.805 5.588 7.651 1.00 70.03 O ATOM 131 ND2 ASN A 14 -12.322 5.637 9.836 1.00 63.51 N ATOM 0 H ASN A 14 -9.642 5.003 6.865 1.00 11.03 H new ATOM 0 HA ASN A 14 -9.287 2.686 8.415 1.00 63.22 H new ATOM 0 HB2 ASN A 14 -10.523 3.906 10.102 1.00 23.34 H new ATOM 0 HB3 ASN A 14 -9.482 5.035 9.259 1.00 23.34 H new ATOM 0 HD21 ASN A 14 -13.144 6.218 9.674 1.00 63.51 H new ATOM 0 HD22 ASN A 14 -12.083 5.344 10.783 1.00 63.51 H new ATOM 138 N ALA A 15 -12.065 2.827 6.769 1.00 21.45 N ATOM 139 CA ALA A 15 -13.283 2.101 6.430 1.00 3.31 C ATOM 140 C ALA A 15 -13.008 0.610 6.274 1.00 63.54 C ATOM 141 O ALA A 15 -13.666 -0.221 6.899 1.00 52.30 O ATOM 142 CB ALA A 15 -13.894 2.664 5.155 1.00 32.34 C ATOM 0 H ALA A 15 -11.833 3.584 6.127 1.00 21.45 H new ATOM 0 HA ALA A 15 -13.993 2.228 7.247 1.00 3.31 H new ATOM 0 HB1 ALA A 15 -14.803 2.113 4.913 1.00 32.34 H new ATOM 0 HB2 ALA A 15 -14.136 3.717 5.301 1.00 32.34 H new ATOM 0 HB3 ALA A 15 -13.181 2.566 4.336 1.00 32.34 H new ATOM 148 N GLU A 16 -12.032 0.277 5.435 1.00 45.24 N ATOM 149 CA GLU A 16 -11.672 -1.116 5.196 1.00 44.53 C ATOM 150 C GLU A 16 -11.346 -1.826 6.506 1.00 14.15 C ATOM 151 O GLU A 16 -11.543 -3.034 6.635 1.00 32.43 O ATOM 152 CB GLU A 16 -10.475 -1.201 4.246 1.00 2.52 C ATOM 153 CG GLU A 16 -10.667 -0.426 2.953 1.00 35.21 C ATOM 154 CD GLU A 16 -9.869 -1.006 1.802 1.00 42.43 C ATOM 155 OE1 GLU A 16 -9.024 -1.890 2.053 1.00 62.44 O ATOM 156 OE2 GLU A 16 -10.088 -0.575 0.651 1.00 53.45 O ATOM 0 H GLU A 16 -11.477 0.952 4.910 1.00 45.24 H new ATOM 0 HA GLU A 16 -12.527 -1.612 4.737 1.00 44.53 H new ATOM 0 HB2 GLU A 16 -9.589 -0.824 4.757 1.00 2.52 H new ATOM 0 HB3 GLU A 16 -10.285 -2.247 4.008 1.00 2.52 H new ATOM 0 HG2 GLU A 16 -11.725 -0.421 2.691 1.00 35.21 H new ATOM 0 HG3 GLU A 16 -10.372 0.612 3.108 1.00 35.21 H new ATOM 163 N ARG A 17 -10.847 -1.067 7.476 1.00 1.41 N ATOM 164 CA ARG A 17 -10.492 -1.623 8.776 1.00 14.23 C ATOM 165 C ARG A 17 -11.742 -2.030 9.553 1.00 45.45 C ATOM 166 O ARG A 17 -11.836 -3.150 10.053 1.00 40.11 O ATOM 167 CB ARG A 17 -9.684 -0.607 9.586 1.00 70.31 C ATOM 168 CG ARG A 17 -8.647 0.140 8.764 1.00 40.23 C ATOM 169 CD ARG A 17 -7.759 1.007 9.642 1.00 24.14 C ATOM 170 NE ARG A 17 -8.536 1.813 10.580 1.00 5.10 N ATOM 171 CZ ARG A 17 -7.992 2.536 11.553 1.00 14.11 C ATOM 172 NH1 ARG A 17 -6.677 2.554 11.715 1.00 24.20 N ATOM 173 NH2 ARG A 17 -8.766 3.244 12.366 1.00 20.13 N ATOM 0 H ARG A 17 -10.679 -0.065 7.386 1.00 1.41 H new ATOM 0 HA ARG A 17 -9.883 -2.511 8.609 1.00 14.23 H new ATOM 0 HB2 ARG A 17 -10.368 0.114 10.035 1.00 70.31 H new ATOM 0 HB3 ARG A 17 -9.183 -1.124 10.405 1.00 70.31 H new ATOM 0 HG2 ARG A 17 -8.032 -0.574 8.216 1.00 40.23 H new ATOM 0 HG3 ARG A 17 -9.148 0.763 8.024 1.00 40.23 H new ATOM 0 HD2 ARG A 17 -7.067 0.373 10.196 1.00 24.14 H new ATOM 0 HD3 ARG A 17 -7.157 1.663 9.013 1.00 24.14 H new ATOM 0 HE ARG A 17 -9.551 1.821 10.483 1.00 5.10 H new ATOM 0 HH11 ARG A 17 -6.079 2.012 11.092 1.00 24.20 H new ATOM 0 HH12 ARG A 17 -6.263 3.110 12.463 1.00 24.20 H new ATOM 0 HH21 ARG A 17 -9.779 3.233 12.244 1.00 20.13 H new ATOM 0 HH22 ARG A 17 -8.348 3.799 13.113 1.00 20.13 H new ATOM 187 N ALA A 18 -12.697 -1.111 9.649 1.00 74.34 N ATOM 188 CA ALA A 18 -13.941 -1.375 10.362 1.00 2.32 C ATOM 189 C ALA A 18 -14.745 -2.474 9.676 1.00 10.05 C ATOM 190 O ALA A 18 -15.411 -3.273 10.335 1.00 55.13 O ATOM 191 CB ALA A 18 -14.768 -0.102 10.469 1.00 4.14 C ATOM 0 H ALA A 18 -12.633 -0.178 9.242 1.00 74.34 H new ATOM 0 HA ALA A 18 -13.690 -1.718 11.366 1.00 2.32 H new ATOM 0 HB1 ALA A 18 -15.694 -0.314 11.004 1.00 4.14 H new ATOM 0 HB2 ALA A 18 -14.201 0.656 11.010 1.00 4.14 H new ATOM 0 HB3 ALA A 18 -15.002 0.265 9.470 1.00 4.14 H new ATOM 197 N LYS A 19 -14.679 -2.509 8.350 1.00 51.11 N ATOM 198 CA LYS A 19 -15.400 -3.510 7.574 1.00 74.44 C ATOM 199 C LYS A 19 -14.710 -4.868 7.662 1.00 55.11 C ATOM 200 O LYS A 19 -15.357 -5.889 7.891 1.00 22.24 O ATOM 201 CB LYS A 19 -15.505 -3.074 6.111 1.00 43.34 C ATOM 202 CG LYS A 19 -15.802 -4.216 5.155 1.00 41.15 C ATOM 203 CD LYS A 19 -16.770 -3.792 4.063 1.00 12.11 C ATOM 204 CE LYS A 19 -16.046 -3.124 2.904 1.00 12.23 C ATOM 205 NZ LYS A 19 -16.993 -2.659 1.853 1.00 63.34 N ATOM 0 H LYS A 19 -14.133 -1.855 7.790 1.00 51.11 H new ATOM 0 HA LYS A 19 -16.402 -3.603 7.992 1.00 74.44 H new ATOM 0 HB2 LYS A 19 -16.289 -2.322 6.020 1.00 43.34 H new ATOM 0 HB3 LYS A 19 -14.571 -2.597 5.815 1.00 43.34 H new ATOM 0 HG2 LYS A 19 -14.873 -4.565 4.704 1.00 41.15 H new ATOM 0 HG3 LYS A 19 -16.222 -5.055 5.709 1.00 41.15 H new ATOM 0 HD2 LYS A 19 -17.314 -4.664 3.699 1.00 12.11 H new ATOM 0 HD3 LYS A 19 -17.508 -3.105 4.477 1.00 12.11 H new ATOM 0 HE2 LYS A 19 -15.471 -2.276 3.275 1.00 12.23 H new ATOM 0 HE3 LYS A 19 -15.335 -3.825 2.468 1.00 12.23 H new ATOM 0 HZ1 LYS A 19 -16.461 -2.209 1.081 1.00 63.34 H new ATOM 0 HZ2 LYS A 19 -17.524 -3.472 1.480 1.00 63.34 H new ATOM 0 HZ3 LYS A 19 -17.656 -1.971 2.263 1.00 63.34 H new ATOM 219 N ASN A 20 -13.394 -4.871 7.480 1.00 41.44 N ATOM 220 CA ASN A 20 -12.616 -6.103 7.540 1.00 55.02 C ATOM 221 C ASN A 20 -12.868 -6.841 8.851 1.00 24.03 C ATOM 222 O ASN A 20 -13.206 -8.025 8.855 1.00 13.42 O ATOM 223 CB ASN A 20 -11.125 -5.797 7.391 1.00 23.23 C ATOM 224 CG ASN A 20 -10.249 -6.909 7.936 1.00 35.24 C ATOM 225 OD1 ASN A 20 -9.824 -7.798 7.198 1.00 12.02 O ATOM 226 ND2 ASN A 20 -9.977 -6.864 9.235 1.00 25.32 N ATOM 0 H ASN A 20 -12.843 -4.034 7.290 1.00 41.44 H new ATOM 0 HA ASN A 20 -12.931 -6.744 6.717 1.00 55.02 H new ATOM 0 HB2 ASN A 20 -10.893 -5.638 6.338 1.00 23.23 H new ATOM 0 HB3 ASN A 20 -10.894 -4.868 7.912 1.00 23.23 H new ATOM 0 HD21 ASN A 20 -9.394 -7.585 9.659 1.00 25.32 H new ATOM 0 HD22 ASN A 20 -10.351 -6.108 9.808 1.00 25.32 H new ATOM 233 N VAL A 21 -12.700 -6.133 9.964 1.00 64.31 N ATOM 234 CA VAL A 21 -12.909 -6.720 11.282 1.00 15.11 C ATOM 235 C VAL A 21 -14.362 -7.142 11.471 1.00 72.34 C ATOM 236 O VAL A 21 -14.643 -8.235 11.961 1.00 3.14 O ATOM 237 CB VAL A 21 -12.523 -5.736 12.402 1.00 1.03 C ATOM 238 CG1 VAL A 21 -12.990 -6.255 13.754 1.00 53.34 C ATOM 239 CG2 VAL A 21 -11.021 -5.496 12.405 1.00 42.43 C ATOM 0 H VAL A 21 -12.420 -5.152 9.979 1.00 64.31 H new ATOM 0 HA VAL A 21 -12.267 -7.599 11.343 1.00 15.11 H new ATOM 0 HB VAL A 21 -13.020 -4.785 12.213 1.00 1.03 H new ATOM 0 HG11 VAL A 21 -12.708 -5.546 14.533 1.00 53.34 H new ATOM 0 HG12 VAL A 21 -14.074 -6.372 13.744 1.00 53.34 H new ATOM 0 HG13 VAL A 21 -12.523 -7.219 13.955 1.00 53.34 H new ATOM 0 HG21 VAL A 21 -10.766 -4.798 13.203 1.00 42.43 H new ATOM 0 HG22 VAL A 21 -10.502 -6.440 12.569 1.00 42.43 H new ATOM 0 HG23 VAL A 21 -10.718 -5.077 11.446 1.00 42.43 H new ATOM 249 N ASN A 22 -15.283 -6.268 11.077 1.00 63.34 N ATOM 250 CA ASN A 22 -16.708 -6.551 11.202 1.00 10.42 C ATOM 251 C ASN A 22 -17.049 -7.907 10.594 1.00 35.51 C ATOM 252 O ASN A 22 -17.723 -8.727 11.217 1.00 12.11 O ATOM 253 CB ASN A 22 -17.528 -5.453 10.521 1.00 34.15 C ATOM 254 CG ASN A 22 -19.019 -5.724 10.581 1.00 32.51 C ATOM 255 OD1 ASN A 22 -19.716 -5.652 9.568 1.00 24.55 O ATOM 256 ND2 ASN A 22 -19.516 -6.038 11.772 1.00 71.30 N ATOM 0 H ASN A 22 -15.068 -5.358 10.669 1.00 63.34 H new ATOM 0 HA ASN A 22 -16.957 -6.576 12.263 1.00 10.42 H new ATOM 0 HB2 ASN A 22 -17.316 -4.496 10.998 1.00 34.15 H new ATOM 0 HB3 ASN A 22 -17.219 -5.365 9.479 1.00 34.15 H new ATOM 0 HD21 ASN A 22 -20.512 -6.231 11.874 1.00 71.30 H new ATOM 0 HD22 ASN A 22 -18.901 -6.086 12.585 1.00 71.30 H new ATOM 263 N GLY A 23 -16.579 -8.138 9.372 1.00 5.21 N ATOM 264 CA GLY A 23 -16.844 -9.396 8.700 1.00 64.40 C ATOM 265 C GLY A 23 -16.192 -10.574 9.397 1.00 71.30 C ATOM 266 O GLY A 23 -16.805 -11.632 9.550 1.00 53.41 O ATOM 0 H GLY A 23 -16.019 -7.476 8.835 1.00 5.21 H new ATOM 0 HA2 GLY A 23 -17.921 -9.558 8.650 1.00 64.40 H new ATOM 0 HA3 GLY A 23 -16.482 -9.339 7.673 1.00 64.40 H new ATOM 270 N LEU A 24 -14.946 -10.394 9.820 1.00 63.04 N ATOM 271 CA LEU A 24 -14.209 -11.451 10.503 1.00 30.51 C ATOM 272 C LEU A 24 -14.870 -11.804 11.832 1.00 62.01 C ATOM 273 O LEU A 24 -14.906 -12.969 12.230 1.00 70.33 O ATOM 274 CB LEU A 24 -12.760 -11.020 10.739 1.00 35.43 C ATOM 275 CG LEU A 24 -11.841 -11.057 9.518 1.00 75.32 C ATOM 276 CD1 LEU A 24 -10.548 -10.308 9.800 1.00 75.03 C ATOM 277 CD2 LEU A 24 -11.550 -12.495 9.113 1.00 4.03 C ATOM 0 H LEU A 24 -14.425 -9.525 9.702 1.00 63.04 H new ATOM 0 HA LEU A 24 -14.219 -12.336 9.867 1.00 30.51 H new ATOM 0 HB2 LEU A 24 -12.764 -10.004 11.135 1.00 35.43 H new ATOM 0 HB3 LEU A 24 -12.332 -11.661 11.510 1.00 35.43 H new ATOM 0 HG LEU A 24 -12.349 -10.563 8.690 1.00 75.32 H new ATOM 0 HD11 LEU A 24 -9.907 -10.345 8.920 1.00 75.03 H new ATOM 0 HD12 LEU A 24 -10.774 -9.269 10.041 1.00 75.03 H new ATOM 0 HD13 LEU A 24 -10.035 -10.772 10.642 1.00 75.03 H new ATOM 0 HD21 LEU A 24 -10.894 -12.502 8.242 1.00 4.03 H new ATOM 0 HD22 LEU A 24 -11.063 -13.014 9.938 1.00 4.03 H new ATOM 0 HD23 LEU A 24 -12.484 -13.000 8.868 1.00 4.03 H new ATOM 289 N LEU A 25 -15.393 -10.791 12.513 1.00 31.05 N ATOM 290 CA LEU A 25 -16.056 -10.994 13.797 1.00 4.33 C ATOM 291 C LEU A 25 -17.317 -11.835 13.632 1.00 14.42 C ATOM 292 O LEU A 25 -17.540 -12.789 14.377 1.00 42.03 O ATOM 293 CB LEU A 25 -16.406 -9.646 14.431 1.00 72.31 C ATOM 294 CG LEU A 25 -17.296 -9.700 15.673 1.00 32.12 C ATOM 295 CD1 LEU A 25 -16.639 -8.968 16.833 1.00 50.23 C ATOM 296 CD2 LEU A 25 -18.666 -9.108 15.374 1.00 61.41 C ATOM 0 H LEU A 25 -15.371 -9.821 12.198 1.00 31.05 H new ATOM 0 HA LEU A 25 -15.369 -11.529 14.452 1.00 4.33 H new ATOM 0 HB2 LEU A 25 -15.478 -9.139 14.695 1.00 72.31 H new ATOM 0 HB3 LEU A 25 -16.902 -9.031 13.680 1.00 72.31 H new ATOM 0 HG LEU A 25 -17.427 -10.744 15.957 1.00 32.12 H new ATOM 0 HD11 LEU A 25 -17.287 -9.017 17.708 1.00 50.23 H new ATOM 0 HD12 LEU A 25 -15.682 -9.436 17.063 1.00 50.23 H new ATOM 0 HD13 LEU A 25 -16.476 -7.925 16.560 1.00 50.23 H new ATOM 0 HD21 LEU A 25 -19.286 -9.155 16.269 1.00 61.41 H new ATOM 0 HD22 LEU A 25 -18.554 -8.069 15.064 1.00 61.41 H new ATOM 0 HD23 LEU A 25 -19.141 -9.676 14.574 1.00 61.41 H new ATOM 308 N GLN A 26 -18.138 -11.474 12.651 1.00 72.41 N ATOM 309 CA GLN A 26 -19.377 -12.197 12.388 1.00 62.34 C ATOM 310 C GLN A 26 -19.095 -13.661 12.065 1.00 42.13 C ATOM 311 O GLN A 26 -19.820 -14.555 12.502 1.00 40.35 O ATOM 312 CB GLN A 26 -20.137 -11.545 11.231 1.00 1.14 C ATOM 313 CG GLN A 26 -20.547 -10.107 11.507 1.00 22.21 C ATOM 314 CD GLN A 26 -21.834 -10.010 12.301 1.00 13.54 C ATOM 315 OE1 GLN A 26 -22.839 -10.633 11.957 1.00 64.30 O ATOM 316 NE2 GLN A 26 -21.812 -9.224 13.372 1.00 63.02 N ATOM 0 H GLN A 26 -17.968 -10.686 12.026 1.00 72.41 H new ATOM 0 HA GLN A 26 -19.991 -12.154 13.287 1.00 62.34 H new ATOM 0 HB2 GLN A 26 -19.514 -11.571 10.337 1.00 1.14 H new ATOM 0 HB3 GLN A 26 -21.029 -12.133 11.015 1.00 1.14 H new ATOM 0 HG2 GLN A 26 -19.749 -9.604 12.053 1.00 22.21 H new ATOM 0 HG3 GLN A 26 -20.668 -9.579 10.561 1.00 22.21 H new ATOM 0 HE21 GLN A 26 -20.958 -8.726 13.621 1.00 63.02 H new ATOM 0 HE22 GLN A 26 -22.649 -9.119 13.945 1.00 63.02 H new ATOM 325 N VAL A 27 -18.037 -13.899 11.296 1.00 24.03 N ATOM 326 CA VAL A 27 -17.658 -15.254 10.915 1.00 30.52 C ATOM 327 C VAL A 27 -17.023 -15.997 12.085 1.00 31.33 C ATOM 328 O VAL A 27 -17.493 -17.062 12.487 1.00 32.54 O ATOM 329 CB VAL A 27 -16.675 -15.250 9.730 1.00 63.33 C ATOM 330 CG1 VAL A 27 -16.016 -16.613 9.577 1.00 2.34 C ATOM 331 CG2 VAL A 27 -17.388 -14.848 8.448 1.00 41.52 C ATOM 0 H VAL A 27 -17.427 -13.171 10.925 1.00 24.03 H new ATOM 0 HA VAL A 27 -18.573 -15.766 10.617 1.00 30.52 H new ATOM 0 HB VAL A 27 -15.895 -14.516 9.931 1.00 63.33 H new ATOM 0 HG11 VAL A 27 -15.325 -16.590 8.734 1.00 2.34 H new ATOM 0 HG12 VAL A 27 -15.470 -16.857 10.488 1.00 2.34 H new ATOM 0 HG13 VAL A 27 -16.781 -17.369 9.399 1.00 2.34 H new ATOM 0 HG21 VAL A 27 -16.678 -14.850 7.621 1.00 41.52 H new ATOM 0 HG22 VAL A 27 -18.190 -15.556 8.240 1.00 41.52 H new ATOM 0 HG23 VAL A 27 -17.808 -13.849 8.563 1.00 41.52 H new ATOM 341 N LEU A 28 -15.953 -15.429 12.629 1.00 44.32 N ATOM 342 CA LEU A 28 -15.252 -16.037 13.755 1.00 40.42 C ATOM 343 C LEU A 28 -16.219 -16.351 14.892 1.00 23.00 C ATOM 344 O LEU A 28 -16.174 -17.433 15.476 1.00 20.23 O ATOM 345 CB LEU A 28 -14.145 -15.107 14.254 1.00 44.21 C ATOM 346 CG LEU A 28 -12.783 -15.260 13.575 1.00 51.20 C ATOM 347 CD1 LEU A 28 -12.954 -15.485 12.081 1.00 40.33 C ATOM 348 CD2 LEU A 28 -11.916 -14.037 13.836 1.00 14.44 C ATOM 0 H LEU A 28 -15.551 -14.548 12.309 1.00 44.32 H new ATOM 0 HA LEU A 28 -14.806 -16.971 13.413 1.00 40.42 H new ATOM 0 HB2 LEU A 28 -14.478 -14.077 14.127 1.00 44.21 H new ATOM 0 HB3 LEU A 28 -14.016 -15.270 15.324 1.00 44.21 H new ATOM 0 HG LEU A 28 -12.284 -16.131 13.998 1.00 51.20 H new ATOM 0 HD11 LEU A 28 -11.975 -15.592 11.615 1.00 40.33 H new ATOM 0 HD12 LEU A 28 -13.536 -16.391 11.914 1.00 40.33 H new ATOM 0 HD13 LEU A 28 -13.474 -14.634 11.642 1.00 40.33 H new ATOM 0 HD21 LEU A 28 -10.951 -14.164 13.345 1.00 14.44 H new ATOM 0 HD22 LEU A 28 -12.410 -13.150 13.441 1.00 14.44 H new ATOM 0 HD23 LEU A 28 -11.765 -13.920 14.909 1.00 14.44 H new ATOM 360 N MET A 29 -17.093 -15.398 15.199 1.00 21.30 N ATOM 361 CA MET A 29 -18.073 -15.576 16.264 1.00 11.52 C ATOM 362 C MET A 29 -19.075 -16.669 15.905 1.00 3.50 C ATOM 363 O MET A 29 -19.594 -17.360 16.781 1.00 12.34 O ATOM 364 CB MET A 29 -18.809 -14.261 16.533 1.00 30.50 C ATOM 365 CG MET A 29 -19.929 -13.979 15.544 1.00 5.34 C ATOM 366 SD MET A 29 -20.827 -12.463 15.928 1.00 74.41 S ATOM 367 CE MET A 29 -22.212 -12.596 14.800 1.00 71.55 C ATOM 0 H MET A 29 -17.143 -14.496 14.726 1.00 21.30 H new ATOM 0 HA MET A 29 -17.541 -15.878 17.166 1.00 11.52 H new ATOM 0 HB2 MET A 29 -19.223 -14.285 17.541 1.00 30.50 H new ATOM 0 HB3 MET A 29 -18.093 -13.440 16.502 1.00 30.50 H new ATOM 0 HG2 MET A 29 -19.512 -13.905 14.540 1.00 5.34 H new ATOM 0 HG3 MET A 29 -20.625 -14.818 15.540 1.00 5.34 H new ATOM 0 HE1 MET A 29 -22.578 -11.599 14.554 1.00 71.55 H new ATOM 0 HE2 MET A 29 -21.892 -13.101 13.888 1.00 71.55 H new ATOM 0 HE3 MET A 29 -23.011 -13.169 15.271 1.00 71.55 H new ATOM 377 N ASP A 30 -19.341 -16.819 14.612 1.00 11.23 N ATOM 378 CA ASP A 30 -20.280 -17.829 14.138 1.00 52.54 C ATOM 379 C ASP A 30 -19.781 -19.232 14.466 1.00 61.11 C ATOM 380 O ASP A 30 -20.522 -20.055 15.005 1.00 40.32 O ATOM 381 CB ASP A 30 -20.493 -17.689 12.629 1.00 25.13 C ATOM 382 CG ASP A 30 -21.852 -17.112 12.287 1.00 41.20 C ATOM 383 OD1 ASP A 30 -22.454 -16.455 13.161 1.00 12.33 O ATOM 384 OD2 ASP A 30 -22.314 -17.318 11.145 1.00 41.10 O ATOM 0 H ASP A 30 -18.920 -16.255 13.874 1.00 11.23 H new ATOM 0 HA ASP A 30 -21.231 -17.674 14.648 1.00 52.54 H new ATOM 0 HB2 ASP A 30 -19.715 -17.049 12.213 1.00 25.13 H new ATOM 0 HB3 ASP A 30 -20.388 -18.666 12.158 1.00 25.13 H new ATOM 389 N ILE A 31 -18.521 -19.499 14.137 1.00 55.43 N ATOM 390 CA ILE A 31 -17.924 -20.802 14.397 1.00 61.42 C ATOM 391 C ILE A 31 -17.586 -20.967 15.875 1.00 62.24 C ATOM 392 O ILE A 31 -17.681 -22.063 16.425 1.00 64.42 O ATOM 393 CB ILE A 31 -16.646 -21.013 13.563 1.00 53.42 C ATOM 394 CG1 ILE A 31 -16.117 -22.436 13.751 1.00 4.41 C ATOM 395 CG2 ILE A 31 -15.587 -19.992 13.950 1.00 10.42 C ATOM 396 CD1 ILE A 31 -14.848 -22.715 12.977 1.00 64.42 C ATOM 0 H ILE A 31 -17.895 -18.830 13.690 1.00 55.43 H new ATOM 0 HA ILE A 31 -18.663 -21.550 14.110 1.00 61.42 H new ATOM 0 HB ILE A 31 -16.890 -20.873 12.510 1.00 53.42 H new ATOM 0 HG12 ILE A 31 -15.932 -22.609 14.811 1.00 4.41 H new ATOM 0 HG13 ILE A 31 -16.885 -23.145 13.441 1.00 4.41 H new ATOM 0 HG21 ILE A 31 -14.690 -20.154 13.352 1.00 10.42 H new ATOM 0 HG22 ILE A 31 -15.967 -18.987 13.769 1.00 10.42 H new ATOM 0 HG23 ILE A 31 -15.344 -20.103 15.007 1.00 10.42 H new ATOM 0 HD11 ILE A 31 -14.530 -23.742 13.157 1.00 64.42 H new ATOM 0 HD12 ILE A 31 -15.033 -22.574 11.912 1.00 64.42 H new ATOM 0 HD13 ILE A 31 -14.065 -22.030 13.303 1.00 64.42 H new ATOM 408 N ASN A 32 -17.192 -19.869 16.512 1.00 74.30 N ATOM 409 CA ASN A 32 -16.841 -19.892 17.927 1.00 13.43 C ATOM 410 C ASN A 32 -18.085 -20.063 18.794 1.00 72.42 C ATOM 411 O ASN A 32 -18.011 -20.568 19.915 1.00 45.03 O ATOM 412 CB ASN A 32 -16.111 -18.604 18.313 1.00 11.33 C ATOM 413 CG ASN A 32 -15.164 -18.804 19.481 1.00 42.35 C ATOM 414 OD1 ASN A 32 -15.566 -19.267 20.548 1.00 4.42 O ATOM 415 ND2 ASN A 32 -13.898 -18.454 19.282 1.00 71.53 N ATOM 0 H ASN A 32 -17.108 -18.953 16.071 1.00 74.30 H new ATOM 0 HA ASN A 32 -16.181 -20.742 18.098 1.00 13.43 H new ATOM 0 HB2 ASN A 32 -15.551 -18.236 17.454 1.00 11.33 H new ATOM 0 HB3 ASN A 32 -16.843 -17.838 18.569 1.00 11.33 H new ATOM 0 HD21 ASN A 32 -13.214 -18.565 20.031 1.00 71.53 H new ATOM 0 HD22 ASN A 32 -13.610 -18.074 18.380 1.00 71.53 H new ATOM 422 N THR A 33 -19.230 -19.641 18.267 1.00 51.44 N ATOM 423 CA THR A 33 -20.490 -19.747 18.991 1.00 54.32 C ATOM 424 C THR A 33 -21.127 -21.117 18.789 1.00 50.14 C ATOM 425 O THR A 33 -21.833 -21.620 19.664 1.00 62.33 O ATOM 426 CB THR A 33 -21.487 -18.660 18.546 1.00 0.55 C ATOM 427 OG1 THR A 33 -21.006 -17.367 18.932 1.00 42.05 O ATOM 428 CG2 THR A 33 -22.858 -18.899 19.160 1.00 73.22 C ATOM 0 H THR A 33 -19.310 -19.222 17.340 1.00 51.44 H new ATOM 0 HA THR A 33 -20.260 -19.608 20.047 1.00 54.32 H new ATOM 0 HB THR A 33 -21.579 -18.705 17.461 1.00 0.55 H new ATOM 0 HG1 THR A 33 -20.617 -16.917 18.153 1.00 42.05 H new ATOM 0 HG21 THR A 33 -23.545 -18.119 18.831 1.00 73.22 H new ATOM 0 HG22 THR A 33 -23.234 -19.871 18.842 1.00 73.22 H new ATOM 0 HG23 THR A 33 -22.779 -18.878 20.247 1.00 73.22 H new ATOM 436 N LEU A 34 -20.873 -21.717 17.631 1.00 55.33 N ATOM 437 CA LEU A 34 -21.422 -23.031 17.314 1.00 43.14 C ATOM 438 C LEU A 34 -20.941 -24.077 18.314 1.00 32.31 C ATOM 439 O LEU A 34 -21.710 -24.933 18.750 1.00 53.22 O ATOM 440 CB LEU A 34 -21.023 -23.443 15.896 1.00 65.23 C ATOM 441 CG LEU A 34 -20.841 -24.943 15.659 1.00 44.11 C ATOM 442 CD1 LEU A 34 -22.132 -25.690 15.953 1.00 70.32 C ATOM 443 CD2 LEU A 34 -20.383 -25.206 14.232 1.00 40.24 C ATOM 0 H LEU A 34 -20.291 -21.315 16.896 1.00 55.33 H new ATOM 0 HA LEU A 34 -22.508 -22.969 17.376 1.00 43.14 H new ATOM 0 HB2 LEU A 34 -21.782 -23.076 15.205 1.00 65.23 H new ATOM 0 HB3 LEU A 34 -20.090 -22.939 15.642 1.00 65.23 H new ATOM 0 HG LEU A 34 -20.071 -25.308 16.339 1.00 44.11 H new ATOM 0 HD11 LEU A 34 -21.983 -26.756 15.779 1.00 70.32 H new ATOM 0 HD12 LEU A 34 -22.417 -25.528 16.993 1.00 70.32 H new ATOM 0 HD13 LEU A 34 -22.922 -25.322 15.299 1.00 70.32 H new ATOM 0 HD21 LEU A 34 -20.259 -26.278 14.082 1.00 40.24 H new ATOM 0 HD22 LEU A 34 -21.129 -24.826 13.534 1.00 40.24 H new ATOM 0 HD23 LEU A 34 -19.432 -24.702 14.056 1.00 40.24 H new ATOM 455 N ASN A 35 -19.664 -24.001 18.675 1.00 14.32 N ATOM 456 CA ASN A 35 -19.081 -24.940 19.626 1.00 34.41 C ATOM 457 C ASN A 35 -17.678 -24.502 20.033 1.00 61.20 C ATOM 458 O ASN A 35 -16.849 -25.323 20.425 1.00 13.43 O ATOM 459 CB ASN A 35 -19.034 -26.346 19.022 1.00 12.45 C ATOM 460 CG ASN A 35 -18.657 -27.401 20.044 1.00 73.21 C ATOM 461 OD1 ASN A 35 -17.526 -27.886 20.063 1.00 30.41 O ATOM 462 ND2 ASN A 35 -19.607 -27.762 20.899 1.00 23.14 N ATOM 0 H ASN A 35 -19.013 -23.299 18.323 1.00 14.32 H new ATOM 0 HA ASN A 35 -19.710 -24.955 20.516 1.00 34.41 H new ATOM 0 HB2 ASN A 35 -20.008 -26.588 18.596 1.00 12.45 H new ATOM 0 HB3 ASN A 35 -18.314 -26.363 18.203 1.00 12.45 H new ATOM 0 HD21 ASN A 35 -19.413 -28.468 21.609 1.00 23.14 H new ATOM 0 HD22 ASN A 35 -20.531 -27.333 20.846 1.00 23.14 H new ATOM 469 N GLY A 36 -17.419 -23.202 19.937 1.00 45.41 N ATOM 470 CA GLY A 36 -16.115 -22.676 20.299 1.00 60.42 C ATOM 471 C GLY A 36 -16.078 -22.142 21.717 1.00 74.31 C ATOM 472 O GLY A 36 -15.035 -21.697 22.193 1.00 12.22 O ATOM 0 H GLY A 36 -18.089 -22.503 19.615 1.00 45.41 H new ATOM 0 HA2 GLY A 36 -15.367 -23.461 20.190 1.00 60.42 H new ATOM 0 HA3 GLY A 36 -15.843 -21.879 19.607 1.00 60.42 H new ATOM 476 N GLY A 37 -17.222 -22.185 22.394 1.00 71.23 N ATOM 477 CA GLY A 37 -17.295 -21.697 23.758 1.00 13.23 C ATOM 478 C GLY A 37 -18.537 -20.864 24.010 1.00 24.24 C ATOM 479 O GLY A 37 -19.176 -20.991 25.055 1.00 61.04 O ATOM 0 H GLY A 37 -18.099 -22.549 22.022 1.00 71.23 H new ATOM 0 HA2 GLY A 37 -17.283 -22.543 24.445 1.00 13.23 H new ATOM 0 HA3 GLY A 37 -16.410 -21.099 23.975 1.00 13.23 H new ATOM 483 N SER A 38 -18.878 -20.008 23.052 1.00 21.42 N ATOM 484 CA SER A 38 -20.048 -19.147 23.178 1.00 61.23 C ATOM 485 C SER A 38 -19.779 -18.004 24.152 1.00 32.31 C ATOM 486 O SER A 38 -19.821 -16.832 23.778 1.00 31.31 O ATOM 487 CB SER A 38 -21.257 -19.959 23.647 1.00 41.11 C ATOM 488 OG SER A 38 -21.241 -21.263 23.094 1.00 71.44 O ATOM 0 H SER A 38 -18.361 -19.892 22.180 1.00 21.42 H new ATOM 0 HA SER A 38 -20.263 -18.722 22.198 1.00 61.23 H new ATOM 0 HB2 SER A 38 -21.257 -20.022 24.735 1.00 41.11 H new ATOM 0 HB3 SER A 38 -22.176 -19.449 23.358 1.00 41.11 H new ATOM 0 HG SER A 38 -22.023 -21.762 23.410 1.00 71.44 H new ATOM 494 N SER A 39 -19.503 -18.355 25.404 1.00 33.11 N ATOM 495 CA SER A 39 -19.231 -17.360 26.435 1.00 53.35 C ATOM 496 C SER A 39 -17.914 -16.640 26.161 1.00 70.33 C ATOM 497 O SER A 39 -17.852 -15.411 26.171 1.00 43.22 O ATOM 498 CB SER A 39 -19.187 -18.021 27.813 1.00 32.13 C ATOM 499 OG SER A 39 -20.279 -18.907 27.989 1.00 31.11 O ATOM 0 H SER A 39 -19.462 -19.321 25.729 1.00 33.11 H new ATOM 0 HA SER A 39 -20.037 -16.626 26.418 1.00 53.35 H new ATOM 0 HB2 SER A 39 -18.250 -18.566 27.929 1.00 32.13 H new ATOM 0 HB3 SER A 39 -19.208 -17.255 28.588 1.00 32.13 H new ATOM 0 HG SER A 39 -20.227 -19.318 28.877 1.00 31.11 H new ATOM 505 N ASP A 40 -16.864 -17.416 25.916 1.00 4.13 N ATOM 506 CA ASP A 40 -15.547 -16.854 25.638 1.00 23.35 C ATOM 507 C ASP A 40 -15.419 -16.470 24.168 1.00 60.44 C ATOM 508 O ASP A 40 -14.361 -16.028 23.719 1.00 24.32 O ATOM 509 CB ASP A 40 -14.453 -17.855 26.014 1.00 5.21 C ATOM 510 CG ASP A 40 -14.444 -18.174 27.496 1.00 4.53 C ATOM 511 OD1 ASP A 40 -15.367 -17.723 28.206 1.00 14.00 O ATOM 512 OD2 ASP A 40 -13.513 -18.874 27.946 1.00 33.24 O ATOM 0 H ASP A 40 -16.899 -18.435 25.904 1.00 4.13 H new ATOM 0 HA ASP A 40 -15.428 -15.954 26.241 1.00 23.35 H new ATOM 0 HB2 ASP A 40 -14.597 -18.775 25.448 1.00 5.21 H new ATOM 0 HB3 ASP A 40 -13.482 -17.452 25.726 1.00 5.21 H new ATOM 517 N THR A 41 -16.504 -16.643 23.420 1.00 74.35 N ATOM 518 CA THR A 41 -16.514 -16.317 21.999 1.00 25.51 C ATOM 519 C THR A 41 -16.092 -14.872 21.764 1.00 51.51 C ATOM 520 O THR A 41 -15.080 -14.608 21.115 1.00 54.31 O ATOM 521 CB THR A 41 -17.906 -16.541 21.380 1.00 32.43 C ATOM 522 OG1 THR A 41 -18.211 -17.940 21.353 1.00 32.35 O ATOM 523 CG2 THR A 41 -17.969 -15.977 19.969 1.00 4.52 C ATOM 0 H THR A 41 -17.388 -17.007 23.775 1.00 74.35 H new ATOM 0 HA THR A 41 -15.800 -16.984 21.517 1.00 25.51 H new ATOM 0 HB THR A 41 -18.640 -16.021 21.995 1.00 32.43 H new ATOM 0 HG1 THR A 41 -17.406 -18.446 21.115 1.00 32.35 H new ATOM 0 HG21 THR A 41 -18.962 -16.147 19.553 1.00 4.52 H new ATOM 0 HG22 THR A 41 -17.766 -14.906 19.996 1.00 4.52 H new ATOM 0 HG23 THR A 41 -17.225 -16.472 19.346 1.00 4.52 H new ATOM 531 N ALA A 42 -16.874 -13.938 22.296 1.00 20.14 N ATOM 532 CA ALA A 42 -16.580 -12.518 22.146 1.00 23.45 C ATOM 533 C ALA A 42 -15.117 -12.224 22.464 1.00 74.42 C ATOM 534 O ALA A 42 -14.507 -11.341 21.862 1.00 51.14 O ATOM 535 CB ALA A 42 -17.492 -11.693 23.041 1.00 13.23 C ATOM 0 H ALA A 42 -17.716 -14.139 22.835 1.00 20.14 H new ATOM 0 HA ALA A 42 -16.762 -12.242 21.107 1.00 23.45 H new ATOM 0 HB1 ALA A 42 -17.261 -10.635 22.919 1.00 13.23 H new ATOM 0 HB2 ALA A 42 -18.531 -11.872 22.765 1.00 13.23 H new ATOM 0 HB3 ALA A 42 -17.338 -11.980 24.081 1.00 13.23 H new ATOM 541 N ASP A 43 -14.562 -12.969 23.413 1.00 64.41 N ATOM 542 CA ASP A 43 -13.170 -12.789 23.810 1.00 11.41 C ATOM 543 C ASP A 43 -12.225 -13.280 22.718 1.00 11.20 C ATOM 544 O ASP A 43 -11.314 -12.564 22.302 1.00 41.11 O ATOM 545 CB ASP A 43 -12.890 -13.532 25.117 1.00 62.21 C ATOM 546 CG ASP A 43 -11.732 -12.931 25.888 1.00 3.45 C ATOM 547 OD1 ASP A 43 -11.900 -11.825 26.444 1.00 41.14 O ATOM 548 OD2 ASP A 43 -10.657 -13.565 25.936 1.00 21.04 O ATOM 0 H ASP A 43 -15.054 -13.703 23.922 1.00 64.41 H new ATOM 0 HA ASP A 43 -12.996 -11.724 23.963 1.00 11.41 H new ATOM 0 HB2 ASP A 43 -13.785 -13.516 25.740 1.00 62.21 H new ATOM 0 HB3 ASP A 43 -12.673 -14.577 24.898 1.00 62.21 H new ATOM 553 N LYS A 44 -12.447 -14.506 22.258 1.00 34.41 N ATOM 554 CA LYS A 44 -11.617 -15.095 21.214 1.00 3.12 C ATOM 555 C LYS A 44 -11.751 -14.318 19.909 1.00 55.52 C ATOM 556 O LYS A 44 -10.768 -14.102 19.200 1.00 50.21 O ATOM 557 CB LYS A 44 -12.003 -16.559 20.991 1.00 53.42 C ATOM 558 CG LYS A 44 -11.766 -17.442 22.203 1.00 22.40 C ATOM 559 CD LYS A 44 -12.991 -18.278 22.533 1.00 73.25 C ATOM 560 CE LYS A 44 -12.767 -19.747 22.209 1.00 75.34 C ATOM 561 NZ LYS A 44 -12.782 -20.594 23.434 1.00 41.23 N ATOM 0 H LYS A 44 -13.196 -15.112 22.592 1.00 34.41 H new ATOM 0 HA LYS A 44 -10.578 -15.046 21.540 1.00 3.12 H new ATOM 0 HB2 LYS A 44 -13.056 -16.610 20.715 1.00 53.42 H new ATOM 0 HB3 LYS A 44 -11.433 -16.952 20.149 1.00 53.42 H new ATOM 0 HG2 LYS A 44 -10.916 -18.099 22.015 1.00 22.40 H new ATOM 0 HG3 LYS A 44 -11.506 -16.822 23.061 1.00 22.40 H new ATOM 0 HD2 LYS A 44 -13.232 -18.170 23.590 1.00 73.25 H new ATOM 0 HD3 LYS A 44 -13.848 -17.907 21.971 1.00 73.25 H new ATOM 0 HE2 LYS A 44 -13.540 -20.089 21.521 1.00 75.34 H new ATOM 0 HE3 LYS A 44 -11.811 -19.865 21.698 1.00 75.34 H new ATOM 0 HZ1 LYS A 44 -11.902 -21.145 23.486 1.00 41.23 H new ATOM 0 HZ2 LYS A 44 -12.860 -19.987 24.275 1.00 41.23 H new ATOM 0 HZ3 LYS A 44 -13.595 -21.242 23.398 1.00 41.23 H new ATOM 575 N ILE A 45 -12.974 -13.899 19.598 1.00 4.44 N ATOM 576 CA ILE A 45 -13.235 -13.143 18.380 1.00 51.03 C ATOM 577 C ILE A 45 -12.524 -11.794 18.406 1.00 63.43 C ATOM 578 O ILE A 45 -12.115 -11.276 17.366 1.00 33.51 O ATOM 579 CB ILE A 45 -14.744 -12.911 18.174 1.00 64.12 C ATOM 580 CG1 ILE A 45 -15.369 -14.099 17.440 1.00 61.11 C ATOM 581 CG2 ILE A 45 -14.981 -11.621 17.403 1.00 1.01 C ATOM 582 CD1 ILE A 45 -14.903 -15.442 17.957 1.00 32.12 C ATOM 0 H ILE A 45 -13.799 -14.071 20.173 1.00 4.44 H new ATOM 0 HA ILE A 45 -12.850 -13.738 17.552 1.00 51.03 H new ATOM 0 HB ILE A 45 -15.220 -12.820 19.151 1.00 64.12 H new ATOM 0 HG12 ILE A 45 -16.454 -14.041 17.529 1.00 61.11 H new ATOM 0 HG13 ILE A 45 -15.132 -14.025 16.379 1.00 61.11 H new ATOM 0 HG21 ILE A 45 -16.052 -11.471 17.265 1.00 1.01 H new ATOM 0 HG22 ILE A 45 -14.566 -10.782 17.961 1.00 1.01 H new ATOM 0 HG23 ILE A 45 -14.495 -11.685 16.429 1.00 1.01 H new ATOM 0 HD11 ILE A 45 -15.387 -16.238 17.391 1.00 32.12 H new ATOM 0 HD12 ILE A 45 -13.822 -15.521 17.843 1.00 32.12 H new ATOM 0 HD13 ILE A 45 -15.164 -15.537 19.011 1.00 32.12 H new ATOM 594 N ARG A 46 -12.377 -11.232 19.601 1.00 55.33 N ATOM 595 CA ARG A 46 -11.715 -9.943 19.763 1.00 64.34 C ATOM 596 C ARG A 46 -10.215 -10.068 19.511 1.00 62.14 C ATOM 597 O ARG A 46 -9.638 -9.295 18.745 1.00 23.13 O ATOM 598 CB ARG A 46 -11.962 -9.391 21.168 1.00 73.24 C ATOM 599 CG ARG A 46 -11.057 -8.227 21.533 1.00 45.43 C ATOM 600 CD ARG A 46 -11.800 -7.174 22.341 1.00 72.55 C ATOM 601 NE ARG A 46 -10.889 -6.222 22.969 1.00 50.31 N ATOM 602 CZ ARG A 46 -10.170 -6.497 24.051 1.00 11.15 C ATOM 603 NH1 ARG A 46 -10.256 -7.690 24.622 1.00 24.45 N ATOM 604 NH2 ARG A 46 -9.363 -5.577 24.565 1.00 61.23 N ATOM 0 H ARG A 46 -12.707 -11.649 20.471 1.00 55.33 H new ATOM 0 HA ARG A 46 -12.134 -9.253 19.031 1.00 64.34 H new ATOM 0 HB2 ARG A 46 -13.001 -9.071 21.246 1.00 73.24 H new ATOM 0 HB3 ARG A 46 -11.820 -10.192 21.894 1.00 73.24 H new ATOM 0 HG2 ARG A 46 -10.205 -8.593 22.107 1.00 45.43 H new ATOM 0 HG3 ARG A 46 -10.659 -7.776 20.624 1.00 45.43 H new ATOM 0 HD2 ARG A 46 -12.491 -6.639 21.690 1.00 72.55 H new ATOM 0 HD3 ARG A 46 -12.399 -7.663 23.109 1.00 72.55 H new ATOM 0 HE ARG A 46 -10.800 -5.295 22.554 1.00 50.31 H new ATOM 0 HH11 ARG A 46 -10.876 -8.399 24.230 1.00 24.45 H new ATOM 0 HH12 ARG A 46 -9.703 -7.899 25.453 1.00 24.45 H new ATOM 0 HH21 ARG A 46 -9.295 -4.657 24.129 1.00 61.23 H new ATOM 0 HH22 ARG A 46 -8.811 -5.790 25.396 1.00 61.23 H new ATOM 618 N ILE A 47 -9.590 -11.045 20.159 1.00 35.25 N ATOM 619 CA ILE A 47 -8.159 -11.271 20.005 1.00 2.01 C ATOM 620 C ILE A 47 -7.844 -11.895 18.650 1.00 63.40 C ATOM 621 O ILE A 47 -6.783 -11.652 18.073 1.00 11.35 O ATOM 622 CB ILE A 47 -7.609 -12.183 21.118 1.00 14.20 C ATOM 623 CG1 ILE A 47 -8.329 -13.533 21.103 1.00 62.14 C ATOM 624 CG2 ILE A 47 -7.760 -11.512 22.475 1.00 0.31 C ATOM 625 CD1 ILE A 47 -7.645 -14.572 20.242 1.00 21.31 C ATOM 0 H ILE A 47 -10.053 -11.693 20.796 1.00 35.25 H new ATOM 0 HA ILE A 47 -7.677 -10.296 20.075 1.00 2.01 H new ATOM 0 HB ILE A 47 -6.548 -12.356 20.935 1.00 14.20 H new ATOM 0 HG12 ILE A 47 -8.401 -13.909 22.124 1.00 62.14 H new ATOM 0 HG13 ILE A 47 -9.348 -13.388 20.744 1.00 62.14 H new ATOM 0 HG21 ILE A 47 -7.367 -12.169 23.251 1.00 0.31 H new ATOM 0 HG22 ILE A 47 -7.207 -10.573 22.480 1.00 0.31 H new ATOM 0 HG23 ILE A 47 -8.814 -11.313 22.667 1.00 0.31 H new ATOM 0 HD11 ILE A 47 -8.210 -15.504 20.278 1.00 21.31 H new ATOM 0 HD12 ILE A 47 -7.597 -14.217 19.213 1.00 21.31 H new ATOM 0 HD13 ILE A 47 -6.635 -14.745 20.614 1.00 21.31 H new ATOM 637 N HIS A 48 -8.773 -12.701 18.145 1.00 2.13 N ATOM 638 CA HIS A 48 -8.596 -13.359 16.856 1.00 45.03 C ATOM 639 C HIS A 48 -8.773 -12.367 15.710 1.00 1.44 C ATOM 640 O HIS A 48 -7.885 -12.204 14.874 1.00 71.40 O ATOM 641 CB HIS A 48 -9.590 -14.511 16.706 1.00 24.13 C ATOM 642 CG HIS A 48 -9.317 -15.388 15.523 1.00 23.02 C ATOM 643 ND1 HIS A 48 -9.437 -16.761 15.561 1.00 60.25 N ATOM 644 CD2 HIS A 48 -8.929 -15.080 14.263 1.00 1.15 C ATOM 645 CE1 HIS A 48 -9.133 -17.260 14.376 1.00 53.15 C ATOM 646 NE2 HIS A 48 -8.822 -16.260 13.570 1.00 21.42 N ATOM 0 H HIS A 48 -9.656 -12.914 18.609 1.00 2.13 H new ATOM 0 HA HIS A 48 -7.582 -13.757 16.816 1.00 45.03 H new ATOM 0 HB2 HIS A 48 -9.569 -15.118 17.611 1.00 24.13 H new ATOM 0 HB3 HIS A 48 -10.597 -14.102 16.620 1.00 24.13 H new ATOM 0 HD1 HIS A 48 -9.717 -17.306 16.376 1.00 60.25 H new ATOM 0 HD2 HIS A 48 -8.739 -14.090 13.875 1.00 1.15 H new ATOM 0 HE1 HIS A 48 -9.138 -18.307 14.111 1.00 53.15 H new ATOM 654 N ALA A 49 -9.926 -11.706 15.679 1.00 22.14 N ATOM 655 CA ALA A 49 -10.219 -10.729 14.638 1.00 63.30 C ATOM 656 C ALA A 49 -9.161 -9.632 14.602 1.00 41.43 C ATOM 657 O ALA A 49 -8.798 -9.139 13.533 1.00 34.11 O ATOM 658 CB ALA A 49 -11.600 -10.127 14.852 1.00 24.43 C ATOM 0 H ALA A 49 -10.672 -11.830 16.363 1.00 22.14 H new ATOM 0 HA ALA A 49 -10.205 -11.243 13.677 1.00 63.30 H new ATOM 0 HB1 ALA A 49 -11.805 -9.399 14.067 1.00 24.43 H new ATOM 0 HB2 ALA A 49 -12.350 -10.917 14.819 1.00 24.43 H new ATOM 0 HB3 ALA A 49 -11.635 -9.633 15.823 1.00 24.43 H new ATOM 664 N LYS A 50 -8.669 -9.251 15.776 1.00 71.30 N ATOM 665 CA LYS A 50 -7.652 -8.212 15.880 1.00 40.34 C ATOM 666 C LYS A 50 -6.290 -8.736 15.435 1.00 75.40 C ATOM 667 O LYS A 50 -5.607 -8.109 14.626 1.00 33.55 O ATOM 668 CB LYS A 50 -7.566 -7.695 17.317 1.00 14.35 C ATOM 669 CG LYS A 50 -6.819 -6.379 17.447 1.00 14.42 C ATOM 670 CD LYS A 50 -7.776 -5.203 17.559 1.00 61.21 C ATOM 671 CE LYS A 50 -8.494 -5.195 18.900 1.00 53.24 C ATOM 672 NZ LYS A 50 -8.754 -3.810 19.381 1.00 5.32 N ATOM 0 H LYS A 50 -8.959 -9.647 16.670 1.00 71.30 H new ATOM 0 HA LYS A 50 -7.939 -7.392 15.222 1.00 40.34 H new ATOM 0 HB2 LYS A 50 -8.575 -7.571 17.710 1.00 14.35 H new ATOM 0 HB3 LYS A 50 -7.073 -8.445 17.935 1.00 14.35 H new ATOM 0 HG2 LYS A 50 -6.175 -6.410 18.326 1.00 14.42 H new ATOM 0 HG3 LYS A 50 -6.171 -6.241 16.582 1.00 14.42 H new ATOM 0 HD2 LYS A 50 -7.225 -4.271 17.435 1.00 61.21 H new ATOM 0 HD3 LYS A 50 -8.508 -5.250 16.753 1.00 61.21 H new ATOM 0 HE2 LYS A 50 -9.439 -5.731 18.810 1.00 53.24 H new ATOM 0 HE3 LYS A 50 -7.894 -5.729 19.637 1.00 53.24 H new ATOM 0 HZ1 LYS A 50 -9.245 -3.847 20.297 1.00 5.32 H new ATOM 0 HZ2 LYS A 50 -7.851 -3.306 19.492 1.00 5.32 H new ATOM 0 HZ3 LYS A 50 -9.348 -3.308 18.690 1.00 5.32 H new ATOM 686 N ASN A 51 -5.903 -9.891 15.968 1.00 54.22 N ATOM 687 CA ASN A 51 -4.624 -10.500 15.625 1.00 65.04 C ATOM 688 C ASN A 51 -4.547 -10.799 14.131 1.00 62.54 C ATOM 689 O ASN A 51 -3.576 -10.441 13.464 1.00 51.24 O ATOM 690 CB ASN A 51 -4.417 -11.787 16.425 1.00 23.25 C ATOM 691 CG ASN A 51 -3.175 -12.543 15.994 1.00 21.31 C ATOM 692 OD1 ASN A 51 -3.258 -13.530 15.262 1.00 12.31 O ATOM 693 ND2 ASN A 51 -2.015 -12.083 16.447 1.00 2.14 N ATOM 0 H ASN A 51 -6.457 -10.423 16.639 1.00 54.22 H new ATOM 0 HA ASN A 51 -3.834 -9.792 15.877 1.00 65.04 H new ATOM 0 HB2 ASN A 51 -4.342 -11.544 17.485 1.00 23.25 H new ATOM 0 HB3 ASN A 51 -5.289 -12.430 16.306 1.00 23.25 H new ATOM 0 HD21 ASN A 51 -1.146 -12.551 16.191 1.00 2.14 H new ATOM 0 HD22 ASN A 51 -1.993 -11.262 17.051 1.00 2.14 H new ATOM 700 N PHE A 52 -5.577 -11.459 13.611 1.00 12.32 N ATOM 701 CA PHE A 52 -5.627 -11.807 12.196 1.00 20.00 C ATOM 702 C PHE A 52 -5.565 -10.555 11.325 1.00 23.54 C ATOM 703 O PHE A 52 -4.812 -10.500 10.354 1.00 60.45 O ATOM 704 CB PHE A 52 -6.902 -12.594 11.887 1.00 14.13 C ATOM 705 CG PHE A 52 -6.666 -13.807 11.034 1.00 34.42 C ATOM 706 CD1 PHE A 52 -6.253 -15.001 11.604 1.00 40.03 C ATOM 707 CD2 PHE A 52 -6.858 -13.755 9.663 1.00 14.31 C ATOM 708 CE1 PHE A 52 -6.034 -16.119 10.821 1.00 54.22 C ATOM 709 CE2 PHE A 52 -6.642 -14.869 8.875 1.00 23.51 C ATOM 710 CZ PHE A 52 -6.230 -16.053 9.455 1.00 32.31 C ATOM 0 H PHE A 52 -6.388 -11.764 14.149 1.00 12.32 H new ATOM 0 HA PHE A 52 -4.761 -12.429 11.970 1.00 20.00 H new ATOM 0 HB2 PHE A 52 -7.365 -12.903 12.824 1.00 14.13 H new ATOM 0 HB3 PHE A 52 -7.611 -11.938 11.383 1.00 14.13 H new ATOM 0 HD1 PHE A 52 -6.101 -15.059 12.672 1.00 40.03 H new ATOM 0 HD2 PHE A 52 -7.181 -12.832 9.204 1.00 14.31 H new ATOM 0 HE1 PHE A 52 -5.710 -17.043 11.277 1.00 54.22 H new ATOM 0 HE2 PHE A 52 -6.795 -14.814 7.807 1.00 23.51 H new ATOM 0 HZ PHE A 52 -6.061 -16.926 8.842 1.00 32.31 H new ATOM 720 N GLU A 53 -6.362 -9.553 11.682 1.00 72.41 N ATOM 721 CA GLU A 53 -6.399 -8.303 10.932 1.00 23.23 C ATOM 722 C GLU A 53 -4.996 -7.726 10.768 1.00 65.54 C ATOM 723 O GLU A 53 -4.609 -7.308 9.677 1.00 71.24 O ATOM 724 CB GLU A 53 -7.300 -7.287 11.636 1.00 13.12 C ATOM 725 CG GLU A 53 -6.901 -5.842 11.385 1.00 31.51 C ATOM 726 CD GLU A 53 -6.802 -5.513 9.908 1.00 3.13 C ATOM 727 OE1 GLU A 53 -7.315 -6.302 9.088 1.00 52.21 O ATOM 728 OE2 GLU A 53 -6.210 -4.465 9.573 1.00 31.25 O ATOM 0 H GLU A 53 -6.990 -9.582 12.485 1.00 72.41 H new ATOM 0 HA GLU A 53 -6.805 -8.514 9.943 1.00 23.23 H new ATOM 0 HB2 GLU A 53 -8.328 -7.434 11.304 1.00 13.12 H new ATOM 0 HB3 GLU A 53 -7.281 -7.479 12.709 1.00 13.12 H new ATOM 0 HG2 GLU A 53 -7.631 -5.181 11.853 1.00 31.51 H new ATOM 0 HG3 GLU A 53 -5.941 -5.646 11.862 1.00 31.51 H new ATOM 735 N ALA A 54 -4.238 -7.707 11.859 1.00 31.44 N ATOM 736 CA ALA A 54 -2.878 -7.184 11.836 1.00 1.25 C ATOM 737 C ALA A 54 -1.973 -8.045 10.961 1.00 10.45 C ATOM 738 O ALA A 54 -1.013 -7.551 10.371 1.00 51.14 O ATOM 739 CB ALA A 54 -2.322 -7.098 13.250 1.00 3.41 C ATOM 0 H ALA A 54 -4.543 -8.048 12.771 1.00 31.44 H new ATOM 0 HA ALA A 54 -2.907 -6.182 11.407 1.00 1.25 H new ATOM 0 HB1 ALA A 54 -1.306 -6.706 13.218 1.00 3.41 H new ATOM 0 HB2 ALA A 54 -2.948 -6.435 13.847 1.00 3.41 H new ATOM 0 HB3 ALA A 54 -2.314 -8.091 13.699 1.00 3.41 H new ATOM 745 N ALA A 55 -2.285 -9.334 10.884 1.00 72.02 N ATOM 746 CA ALA A 55 -1.501 -10.263 10.080 1.00 43.11 C ATOM 747 C ALA A 55 -1.815 -10.105 8.596 1.00 65.00 C ATOM 748 O ALA A 55 -0.910 -9.991 7.768 1.00 24.01 O ATOM 749 CB ALA A 55 -1.758 -11.695 10.526 1.00 3.53 C ATOM 0 H ALA A 55 -3.075 -9.759 11.369 1.00 72.02 H new ATOM 0 HA ALA A 55 -0.446 -10.032 10.228 1.00 43.11 H new ATOM 0 HB1 ALA A 55 -1.166 -12.378 9.917 1.00 3.53 H new ATOM 0 HB2 ALA A 55 -1.476 -11.806 11.573 1.00 3.53 H new ATOM 0 HB3 ALA A 55 -2.816 -11.928 10.408 1.00 3.53 H new ATOM 755 N LEU A 56 -3.101 -10.100 8.266 1.00 52.24 N ATOM 756 CA LEU A 56 -3.535 -9.957 6.880 1.00 3.40 C ATOM 757 C LEU A 56 -3.246 -8.551 6.362 1.00 72.33 C ATOM 758 O LEU A 56 -2.902 -8.368 5.194 1.00 4.51 O ATOM 759 CB LEU A 56 -5.029 -10.260 6.759 1.00 70.54 C ATOM 760 CG LEU A 56 -5.947 -9.510 7.724 1.00 72.01 C ATOM 761 CD1 LEU A 56 -6.537 -8.280 7.052 1.00 52.11 C ATOM 762 CD2 LEU A 56 -7.053 -10.426 8.229 1.00 4.22 C ATOM 0 H LEU A 56 -3.862 -10.193 8.939 1.00 52.24 H new ATOM 0 HA LEU A 56 -2.976 -10.670 6.274 1.00 3.40 H new ATOM 0 HB2 LEU A 56 -5.344 -10.034 5.740 1.00 70.54 H new ATOM 0 HB3 LEU A 56 -5.175 -11.330 6.908 1.00 70.54 H new ATOM 0 HG LEU A 56 -5.355 -9.183 8.579 1.00 72.01 H new ATOM 0 HD11 LEU A 56 -7.188 -7.759 7.754 1.00 52.11 H new ATOM 0 HD12 LEU A 56 -5.732 -7.614 6.740 1.00 52.11 H new ATOM 0 HD13 LEU A 56 -7.115 -8.584 6.179 1.00 52.11 H new ATOM 0 HD21 LEU A 56 -7.697 -9.875 8.915 1.00 4.22 H new ATOM 0 HD22 LEU A 56 -7.643 -10.783 7.385 1.00 4.22 H new ATOM 0 HD23 LEU A 56 -6.612 -11.276 8.749 1.00 4.22 H new ATOM 774 N PHE A 57 -3.387 -7.562 7.238 1.00 33.42 N ATOM 775 CA PHE A 57 -3.141 -6.173 6.870 1.00 64.23 C ATOM 776 C PHE A 57 -1.650 -5.923 6.660 1.00 51.34 C ATOM 777 O PHE A 57 -1.245 -5.324 5.664 1.00 1.51 O ATOM 778 CB PHE A 57 -3.680 -5.233 7.950 1.00 60.31 C ATOM 779 CG PHE A 57 -3.620 -3.782 7.566 1.00 31.44 C ATOM 780 CD1 PHE A 57 -3.969 -3.375 6.289 1.00 51.12 C ATOM 781 CD2 PHE A 57 -3.215 -2.826 8.483 1.00 14.14 C ATOM 782 CE1 PHE A 57 -3.914 -2.040 5.933 1.00 30.53 C ATOM 783 CE2 PHE A 57 -3.159 -1.490 8.134 1.00 41.23 C ATOM 784 CZ PHE A 57 -3.510 -1.097 6.857 1.00 3.31 C ATOM 0 H PHE A 57 -3.671 -7.697 8.208 1.00 33.42 H new ATOM 0 HA PHE A 57 -3.661 -5.974 5.933 1.00 64.23 H new ATOM 0 HB2 PHE A 57 -4.714 -5.500 8.170 1.00 60.31 H new ATOM 0 HB3 PHE A 57 -3.110 -5.382 8.867 1.00 60.31 H new ATOM 0 HD1 PHE A 57 -4.288 -4.109 5.563 1.00 51.12 H new ATOM 0 HD2 PHE A 57 -2.940 -3.128 9.483 1.00 14.14 H new ATOM 0 HE1 PHE A 57 -4.187 -1.735 4.933 1.00 30.53 H new ATOM 0 HE2 PHE A 57 -2.841 -0.755 8.858 1.00 41.23 H new ATOM 0 HZ PHE A 57 -3.468 -0.053 6.582 1.00 3.31 H new ATOM 794 N ALA A 58 -0.839 -6.386 7.605 1.00 14.45 N ATOM 795 CA ALA A 58 0.606 -6.214 7.524 1.00 13.43 C ATOM 796 C ALA A 58 1.195 -7.049 6.393 1.00 43.54 C ATOM 797 O ALA A 58 2.202 -6.675 5.791 1.00 42.24 O ATOM 798 CB ALA A 58 1.256 -6.583 8.849 1.00 4.32 C ATOM 0 H ALA A 58 -1.158 -6.883 8.436 1.00 14.45 H new ATOM 0 HA ALA A 58 0.811 -5.165 7.311 1.00 13.43 H new ATOM 0 HB1 ALA A 58 2.335 -6.450 8.774 1.00 4.32 H new ATOM 0 HB2 ALA A 58 0.865 -5.940 9.638 1.00 4.32 H new ATOM 0 HB3 ALA A 58 1.034 -7.624 9.086 1.00 4.32 H new ATOM 804 N LYS A 59 0.562 -8.182 6.108 1.00 43.52 N ATOM 805 CA LYS A 59 1.023 -9.070 5.048 1.00 60.33 C ATOM 806 C LYS A 59 0.289 -8.786 3.741 1.00 13.44 C ATOM 807 O LYS A 59 0.558 -9.414 2.718 1.00 52.45 O ATOM 808 CB LYS A 59 0.816 -10.531 5.453 1.00 25.43 C ATOM 809 CG LYS A 59 1.643 -10.951 6.657 1.00 73.34 C ATOM 810 CD LYS A 59 3.128 -10.742 6.414 1.00 50.22 C ATOM 811 CE LYS A 59 3.947 -11.921 6.916 1.00 73.21 C ATOM 812 NZ LYS A 59 5.399 -11.600 6.983 1.00 1.42 N ATOM 0 H LYS A 59 -0.272 -8.507 6.597 1.00 43.52 H new ATOM 0 HA LYS A 59 2.087 -8.888 4.894 1.00 60.33 H new ATOM 0 HB2 LYS A 59 -0.239 -10.692 5.673 1.00 25.43 H new ATOM 0 HB3 LYS A 59 1.067 -11.173 4.608 1.00 25.43 H new ATOM 0 HG2 LYS A 59 1.332 -10.378 7.531 1.00 73.34 H new ATOM 0 HG3 LYS A 59 1.454 -12.001 6.881 1.00 73.34 H new ATOM 0 HD2 LYS A 59 3.307 -10.601 5.348 1.00 50.22 H new ATOM 0 HD3 LYS A 59 3.455 -9.831 6.915 1.00 50.22 H new ATOM 0 HE2 LYS A 59 3.594 -12.213 7.905 1.00 73.21 H new ATOM 0 HE3 LYS A 59 3.794 -12.776 6.257 1.00 73.21 H new ATOM 0 HZ1 LYS A 59 5.922 -12.429 7.330 1.00 1.42 H new ATOM 0 HZ2 LYS A 59 5.742 -11.345 6.035 1.00 1.42 H new ATOM 0 HZ3 LYS A 59 5.548 -10.801 7.631 1.00 1.42 H new ATOM 826 N SER A 60 -0.639 -7.834 3.784 1.00 24.23 N ATOM 827 CA SER A 60 -1.413 -7.468 2.604 1.00 32.13 C ATOM 828 C SER A 60 -0.567 -6.653 1.630 1.00 32.54 C ATOM 829 O SER A 60 -0.236 -7.118 0.540 1.00 54.05 O ATOM 830 CB SER A 60 -2.654 -6.671 3.010 1.00 11.31 C ATOM 831 OG SER A 60 -2.928 -5.642 2.074 1.00 31.52 O ATOM 0 H SER A 60 -0.872 -7.303 4.623 1.00 24.23 H new ATOM 0 HA SER A 60 -1.726 -8.386 2.106 1.00 32.13 H new ATOM 0 HB2 SER A 60 -3.512 -7.339 3.082 1.00 11.31 H new ATOM 0 HB3 SER A 60 -2.504 -6.237 3.999 1.00 11.31 H new ATOM 0 HG SER A 60 -3.389 -6.021 1.297 1.00 31.52 H new ATOM 837 N SER A 61 -0.221 -5.435 2.033 1.00 23.13 N ATOM 838 CA SER A 61 0.583 -4.553 1.196 1.00 44.12 C ATOM 839 C SER A 61 -0.164 -4.189 -0.084 1.00 3.34 C ATOM 840 O SER A 61 0.430 -3.699 -1.044 1.00 41.12 O ATOM 841 CB SER A 61 1.916 -5.219 0.849 1.00 4.14 C ATOM 842 OG SER A 61 3.008 -4.470 1.356 1.00 35.24 O ATOM 0 H SER A 61 -0.485 -5.036 2.934 1.00 23.13 H new ATOM 0 HA SER A 61 0.777 -3.638 1.756 1.00 44.12 H new ATOM 0 HB2 SER A 61 1.940 -6.228 1.261 1.00 4.14 H new ATOM 0 HB3 SER A 61 2.008 -5.315 -0.233 1.00 4.14 H new ATOM 0 HG SER A 61 3.848 -4.917 1.122 1.00 35.24 H new ATOM 848 N SER A 62 -1.470 -4.432 -0.088 1.00 54.00 N ATOM 849 CA SER A 62 -2.300 -4.134 -1.250 1.00 4.21 C ATOM 850 C SER A 62 -3.769 -4.419 -0.956 1.00 73.21 C ATOM 851 O SER A 62 -4.099 -5.356 -0.228 1.00 41.31 O ATOM 852 CB SER A 62 -1.840 -4.956 -2.456 1.00 2.35 C ATOM 853 OG SER A 62 -2.124 -4.283 -3.670 1.00 34.12 O ATOM 0 H SER A 62 -1.977 -4.835 0.700 1.00 54.00 H new ATOM 0 HA SER A 62 -2.193 -3.074 -1.480 1.00 4.21 H new ATOM 0 HB2 SER A 62 -0.769 -5.146 -2.384 1.00 2.35 H new ATOM 0 HB3 SER A 62 -2.337 -5.926 -2.450 1.00 2.35 H new ATOM 0 HG SER A 62 -1.319 -4.262 -4.228 1.00 34.12 H new ATOM 859 N LYS A 63 -4.649 -3.604 -1.528 1.00 73.51 N ATOM 860 CA LYS A 63 -6.085 -3.768 -1.330 1.00 43.45 C ATOM 861 C LYS A 63 -6.550 -5.134 -1.824 1.00 10.11 C ATOM 862 O LYS A 63 -7.464 -5.732 -1.256 1.00 73.35 O ATOM 863 CB LYS A 63 -6.850 -2.662 -2.061 1.00 41.02 C ATOM 864 CG LYS A 63 -6.873 -2.834 -3.570 1.00 52.52 C ATOM 865 CD LYS A 63 -8.120 -3.571 -4.028 1.00 53.24 C ATOM 866 CE LYS A 63 -9.121 -2.625 -4.676 1.00 25.33 C ATOM 867 NZ LYS A 63 -8.563 -1.978 -5.895 1.00 43.13 N ATOM 0 H LYS A 63 -4.393 -2.823 -2.132 1.00 73.51 H new ATOM 0 HA LYS A 63 -6.290 -3.699 -0.262 1.00 43.45 H new ATOM 0 HB2 LYS A 63 -7.875 -2.635 -1.691 1.00 41.02 H new ATOM 0 HB3 LYS A 63 -6.399 -1.699 -1.820 1.00 41.02 H new ATOM 0 HG2 LYS A 63 -6.831 -1.856 -4.049 1.00 52.52 H new ATOM 0 HG3 LYS A 63 -5.987 -3.383 -3.888 1.00 52.52 H new ATOM 0 HD2 LYS A 63 -7.843 -4.351 -4.737 1.00 53.24 H new ATOM 0 HD3 LYS A 63 -8.585 -4.066 -3.175 1.00 53.24 H new ATOM 0 HE2 LYS A 63 -10.024 -3.176 -4.938 1.00 25.33 H new ATOM 0 HE3 LYS A 63 -9.413 -1.858 -3.959 1.00 25.33 H new ATOM 0 HZ1 LYS A 63 -9.333 -1.775 -6.564 1.00 43.13 H new ATOM 0 HZ2 LYS A 63 -8.091 -1.090 -5.631 1.00 43.13 H new ATOM 0 HZ3 LYS A 63 -7.875 -2.616 -6.343 1.00 43.13 H new ATOM 881 N LYS A 64 -5.914 -5.623 -2.883 1.00 73.40 N ATOM 882 CA LYS A 64 -6.260 -6.921 -3.452 1.00 15.52 C ATOM 883 C LYS A 64 -5.921 -8.048 -2.482 1.00 13.10 C ATOM 884 O LYS A 64 -6.711 -8.972 -2.291 1.00 1.05 O ATOM 885 CB LYS A 64 -5.523 -7.133 -4.776 1.00 21.13 C ATOM 886 CG LYS A 64 -4.034 -6.841 -4.696 1.00 74.14 C ATOM 887 CD LYS A 64 -3.608 -5.827 -5.745 1.00 74.41 C ATOM 888 CE LYS A 64 -3.856 -6.345 -7.154 1.00 22.13 C ATOM 889 NZ LYS A 64 -3.168 -7.643 -7.396 1.00 70.52 N ATOM 0 H LYS A 64 -5.156 -5.140 -3.365 1.00 73.40 H new ATOM 0 HA LYS A 64 -7.334 -6.935 -3.635 1.00 15.52 H new ATOM 0 HB2 LYS A 64 -5.666 -8.164 -5.101 1.00 21.13 H new ATOM 0 HB3 LYS A 64 -5.970 -6.494 -5.538 1.00 21.13 H new ATOM 0 HG2 LYS A 64 -3.789 -6.464 -3.703 1.00 74.14 H new ATOM 0 HG3 LYS A 64 -3.473 -7.765 -4.833 1.00 74.14 H new ATOM 0 HD2 LYS A 64 -4.156 -4.896 -5.597 1.00 74.41 H new ATOM 0 HD3 LYS A 64 -2.550 -5.597 -5.622 1.00 74.41 H new ATOM 0 HE2 LYS A 64 -4.927 -6.467 -7.313 1.00 22.13 H new ATOM 0 HE3 LYS A 64 -3.508 -5.609 -7.878 1.00 22.13 H new ATOM 0 HZ1 LYS A 64 -3.159 -7.846 -8.416 1.00 70.52 H new ATOM 0 HZ2 LYS A 64 -2.191 -7.589 -7.045 1.00 70.52 H new ATOM 0 HZ3 LYS A 64 -3.674 -8.402 -6.897 1.00 70.52 H new ATOM 903 N GLU A 65 -4.743 -7.964 -1.872 1.00 40.42 N ATOM 904 CA GLU A 65 -4.301 -8.977 -0.922 1.00 32.33 C ATOM 905 C GLU A 65 -5.021 -8.820 0.415 1.00 61.53 C ATOM 906 O GLU A 65 -5.257 -9.799 1.124 1.00 62.13 O ATOM 907 CB GLU A 65 -2.788 -8.887 -0.712 1.00 72.13 C ATOM 908 CG GLU A 65 -2.159 -10.191 -0.250 1.00 41.41 C ATOM 909 CD GLU A 65 -1.635 -11.026 -1.402 1.00 73.30 C ATOM 910 OE1 GLU A 65 -0.999 -10.453 -2.310 1.00 63.04 O ATOM 911 OE2 GLU A 65 -1.862 -12.254 -1.394 1.00 74.43 O ATOM 0 H GLU A 65 -4.078 -7.205 -2.019 1.00 40.42 H new ATOM 0 HA GLU A 65 -4.545 -9.956 -1.335 1.00 32.33 H new ATOM 0 HB2 GLU A 65 -2.318 -8.577 -1.645 1.00 72.13 H new ATOM 0 HB3 GLU A 65 -2.577 -8.111 0.024 1.00 72.13 H new ATOM 0 HG2 GLU A 65 -1.341 -9.972 0.437 1.00 41.41 H new ATOM 0 HG3 GLU A 65 -2.897 -10.769 0.307 1.00 41.41 H new ATOM 918 N TYR A 66 -5.366 -7.583 0.752 1.00 74.00 N ATOM 919 CA TYR A 66 -6.056 -7.296 2.004 1.00 32.52 C ATOM 920 C TYR A 66 -7.442 -7.934 2.021 1.00 53.33 C ATOM 921 O TYR A 66 -7.766 -8.720 2.911 1.00 43.43 O ATOM 922 CB TYR A 66 -6.175 -5.786 2.211 1.00 3.43 C ATOM 923 CG TYR A 66 -6.831 -5.403 3.519 1.00 64.31 C ATOM 924 CD1 TYR A 66 -6.201 -5.649 4.733 1.00 70.02 C ATOM 925 CD2 TYR A 66 -8.080 -4.795 3.540 1.00 21.33 C ATOM 926 CE1 TYR A 66 -6.797 -5.302 5.930 1.00 70.13 C ATOM 927 CE2 TYR A 66 -8.683 -4.444 4.732 1.00 1.44 C ATOM 928 CZ TYR A 66 -8.038 -4.699 5.924 1.00 23.54 C ATOM 929 OH TYR A 66 -8.634 -4.351 7.115 1.00 72.14 O ATOM 0 H TYR A 66 -5.179 -6.762 0.176 1.00 74.00 H new ATOM 0 HA TYR A 66 -5.470 -7.722 2.818 1.00 32.52 H new ATOM 0 HB2 TYR A 66 -5.180 -5.343 2.170 1.00 3.43 H new ATOM 0 HB3 TYR A 66 -6.748 -5.359 1.388 1.00 3.43 H new ATOM 0 HD1 TYR A 66 -5.229 -6.119 4.741 1.00 70.02 H new ATOM 0 HD2 TYR A 66 -8.588 -4.593 2.609 1.00 21.33 H new ATOM 0 HE1 TYR A 66 -6.295 -5.502 6.865 1.00 70.13 H new ATOM 0 HE2 TYR A 66 -9.655 -3.972 4.731 1.00 1.44 H new ATOM 0 HH TYR A 66 -8.335 -4.961 7.821 1.00 72.14 H new ATOM 939 N MET A 67 -8.257 -7.589 1.029 1.00 42.42 N ATOM 940 CA MET A 67 -9.608 -8.128 0.927 1.00 0.23 C ATOM 941 C MET A 67 -9.576 -9.632 0.676 1.00 24.04 C ATOM 942 O MET A 67 -10.387 -10.380 1.223 1.00 4.44 O ATOM 943 CB MET A 67 -10.376 -7.428 -0.196 1.00 33.15 C ATOM 944 CG MET A 67 -9.710 -7.551 -1.556 1.00 61.12 C ATOM 945 SD MET A 67 -10.439 -8.850 -2.572 1.00 32.11 S ATOM 946 CE MET A 67 -9.562 -8.607 -4.114 1.00 43.33 C ATOM 0 H MET A 67 -8.005 -6.939 0.285 1.00 42.42 H new ATOM 0 HA MET A 67 -10.117 -7.946 1.874 1.00 0.23 H new ATOM 0 HB2 MET A 67 -11.381 -7.847 -0.254 1.00 33.15 H new ATOM 0 HB3 MET A 67 -10.484 -6.372 0.052 1.00 33.15 H new ATOM 0 HG2 MET A 67 -9.786 -6.599 -2.081 1.00 61.12 H new ATOM 0 HG3 MET A 67 -8.648 -7.755 -1.419 1.00 61.12 H new ATOM 0 HE1 MET A 67 -10.104 -9.098 -4.922 1.00 43.33 H new ATOM 0 HE2 MET A 67 -9.485 -7.540 -4.325 1.00 43.33 H new ATOM 0 HE3 MET A 67 -8.562 -9.034 -4.035 1.00 43.33 H new ATOM 956 N ASP A 68 -8.635 -10.069 -0.153 1.00 43.35 N ATOM 957 CA ASP A 68 -8.497 -11.484 -0.476 1.00 64.11 C ATOM 958 C ASP A 68 -8.106 -12.288 0.760 1.00 11.35 C ATOM 959 O ASP A 68 -8.458 -13.460 0.888 1.00 71.45 O ATOM 960 CB ASP A 68 -7.452 -11.679 -1.577 1.00 15.23 C ATOM 961 CG ASP A 68 -7.161 -13.142 -1.845 1.00 45.05 C ATOM 962 OD1 ASP A 68 -6.359 -13.734 -1.093 1.00 71.54 O ATOM 963 OD2 ASP A 68 -7.733 -13.694 -2.809 1.00 22.45 O ATOM 0 H ASP A 68 -7.956 -9.463 -0.614 1.00 43.35 H new ATOM 0 HA ASP A 68 -9.462 -11.845 -0.833 1.00 64.11 H new ATOM 0 HB2 ASP A 68 -7.803 -11.207 -2.495 1.00 15.23 H new ATOM 0 HB3 ASP A 68 -6.529 -11.174 -1.292 1.00 15.23 H new ATOM 968 N SER A 69 -7.376 -11.649 1.669 1.00 42.21 N ATOM 969 CA SER A 69 -6.933 -12.306 2.893 1.00 11.53 C ATOM 970 C SER A 69 -8.095 -12.483 3.866 1.00 54.35 C ATOM 971 O SER A 69 -8.357 -13.587 4.343 1.00 42.53 O ATOM 972 CB SER A 69 -5.817 -11.496 3.557 1.00 54.23 C ATOM 973 OG SER A 69 -4.573 -11.723 2.918 1.00 71.31 O ATOM 0 H SER A 69 -7.079 -10.677 1.581 1.00 42.21 H new ATOM 0 HA SER A 69 -6.550 -13.291 2.628 1.00 11.53 H new ATOM 0 HB2 SER A 69 -6.061 -10.434 3.518 1.00 54.23 H new ATOM 0 HB3 SER A 69 -5.743 -11.768 4.610 1.00 54.23 H new ATOM 0 HG SER A 69 -4.489 -11.128 2.144 1.00 71.31 H new ATOM 979 N MET A 70 -8.790 -11.387 4.154 1.00 5.31 N ATOM 980 CA MET A 70 -9.925 -11.420 5.068 1.00 31.45 C ATOM 981 C MET A 70 -11.083 -12.213 4.469 1.00 44.51 C ATOM 982 O MET A 70 -11.900 -12.779 5.193 1.00 22.10 O ATOM 983 CB MET A 70 -10.382 -9.999 5.400 1.00 14.33 C ATOM 984 CG MET A 70 -11.207 -9.353 4.299 1.00 51.03 C ATOM 985 SD MET A 70 -12.982 -9.518 4.572 1.00 3.43 S ATOM 986 CE MET A 70 -13.621 -8.390 3.336 1.00 61.42 C ATOM 0 H MET A 70 -8.587 -10.465 3.767 1.00 5.31 H new ATOM 0 HA MET A 70 -9.606 -11.914 5.986 1.00 31.45 H new ATOM 0 HB2 MET A 70 -10.969 -10.020 6.318 1.00 14.33 H new ATOM 0 HB3 MET A 70 -9.506 -9.381 5.596 1.00 14.33 H new ATOM 0 HG2 MET A 70 -10.951 -8.296 4.231 1.00 51.03 H new ATOM 0 HG3 MET A 70 -10.947 -9.806 3.342 1.00 51.03 H new ATOM 0 HE1 MET A 70 -14.710 -8.381 3.380 1.00 61.42 H new ATOM 0 HE2 MET A 70 -13.242 -7.386 3.529 1.00 61.42 H new ATOM 0 HE3 MET A 70 -13.300 -8.715 2.346 1.00 61.42 H new ATOM 996 N ASN A 71 -11.146 -12.247 3.142 1.00 45.13 N ATOM 997 CA ASN A 71 -12.204 -12.969 2.445 1.00 30.12 C ATOM 998 C ASN A 71 -11.963 -14.475 2.502 1.00 55.32 C ATOM 999 O ASN A 71 -12.908 -15.263 2.522 1.00 21.21 O ATOM 1000 CB ASN A 71 -12.290 -12.509 0.988 1.00 34.55 C ATOM 1001 CG ASN A 71 -13.188 -13.402 0.153 1.00 51.40 C ATOM 1002 OD1 ASN A 71 -12.779 -14.476 -0.286 1.00 22.40 O ATOM 1003 ND2 ASN A 71 -14.420 -12.958 -0.071 1.00 24.01 N ATOM 0 H ASN A 71 -10.477 -11.783 2.528 1.00 45.13 H new ATOM 0 HA ASN A 71 -13.148 -12.751 2.944 1.00 30.12 H new ATOM 0 HB2 ASN A 71 -12.666 -11.486 0.954 1.00 34.55 H new ATOM 0 HB3 ASN A 71 -11.290 -12.496 0.554 1.00 34.55 H new ATOM 0 HD21 ASN A 71 -15.069 -13.514 -0.627 1.00 24.01 H new ATOM 0 HD22 ASN A 71 -14.716 -12.061 0.313 1.00 24.01 H new ATOM 1010 N GLU A 72 -10.693 -14.865 2.527 1.00 1.04 N ATOM 1011 CA GLU A 72 -10.329 -16.276 2.581 1.00 0.05 C ATOM 1012 C GLU A 72 -10.494 -16.827 3.995 1.00 10.30 C ATOM 1013 O GLU A 72 -10.867 -17.985 4.183 1.00 1.11 O ATOM 1014 CB GLU A 72 -8.886 -16.472 2.111 1.00 11.34 C ATOM 1015 CG GLU A 72 -8.558 -17.907 1.735 1.00 3.24 C ATOM 1016 CD GLU A 72 -7.724 -18.003 0.472 1.00 14.13 C ATOM 1017 OE1 GLU A 72 -8.137 -17.426 -0.555 1.00 52.44 O ATOM 1018 OE2 GLU A 72 -6.660 -18.655 0.511 1.00 73.10 O ATOM 0 H GLU A 72 -9.899 -14.225 2.511 1.00 1.04 H new ATOM 0 HA GLU A 72 -10.998 -16.823 1.916 1.00 0.05 H new ATOM 0 HB2 GLU A 72 -8.703 -15.829 1.250 1.00 11.34 H new ATOM 0 HB3 GLU A 72 -8.208 -16.148 2.901 1.00 11.34 H new ATOM 0 HG2 GLU A 72 -8.021 -18.380 2.557 1.00 3.24 H new ATOM 0 HG3 GLU A 72 -9.485 -18.463 1.597 1.00 3.24 H new ATOM 1025 N LYS A 73 -10.213 -15.988 4.987 1.00 70.32 N ATOM 1026 CA LYS A 73 -10.330 -16.388 6.384 1.00 72.40 C ATOM 1027 C LYS A 73 -11.794 -16.487 6.801 1.00 72.54 C ATOM 1028 O LYS A 73 -12.170 -17.362 7.582 1.00 40.33 O ATOM 1029 CB LYS A 73 -9.599 -15.390 7.285 1.00 70.43 C ATOM 1030 CG LYS A 73 -9.784 -15.661 8.768 1.00 42.12 C ATOM 1031 CD LYS A 73 -9.336 -17.065 9.139 1.00 51.14 C ATOM 1032 CE LYS A 73 -9.152 -17.213 10.641 1.00 13.32 C ATOM 1033 NZ LYS A 73 -8.254 -18.351 10.981 1.00 41.22 N ATOM 0 H LYS A 73 -9.902 -15.026 4.849 1.00 70.32 H new ATOM 0 HA LYS A 73 -9.872 -17.371 6.494 1.00 72.40 H new ATOM 0 HB2 LYS A 73 -8.535 -15.413 7.050 1.00 70.43 H new ATOM 0 HB3 LYS A 73 -9.953 -14.384 7.061 1.00 70.43 H new ATOM 0 HG2 LYS A 73 -9.215 -14.932 9.346 1.00 42.12 H new ATOM 0 HG3 LYS A 73 -10.833 -15.531 9.034 1.00 42.12 H new ATOM 0 HD2 LYS A 73 -10.073 -17.788 8.789 1.00 51.14 H new ATOM 0 HD3 LYS A 73 -8.399 -17.295 8.632 1.00 51.14 H new ATOM 0 HE2 LYS A 73 -8.739 -16.290 11.049 1.00 13.32 H new ATOM 0 HE3 LYS A 73 -10.123 -17.363 11.113 1.00 13.32 H new ATOM 0 HZ1 LYS A 73 -8.538 -18.756 11.896 1.00 41.22 H new ATOM 0 HZ2 LYS A 73 -8.324 -19.081 10.243 1.00 41.22 H new ATOM 0 HZ3 LYS A 73 -7.272 -18.013 11.041 1.00 41.22 H new ATOM 1047 N VAL A 74 -12.617 -15.587 6.273 1.00 12.42 N ATOM 1048 CA VAL A 74 -14.041 -15.574 6.588 1.00 23.45 C ATOM 1049 C VAL A 74 -14.780 -16.672 5.832 1.00 35.01 C ATOM 1050 O VAL A 74 -15.708 -17.286 6.359 1.00 64.32 O ATOM 1051 CB VAL A 74 -14.679 -14.214 6.251 1.00 43.22 C ATOM 1052 CG1 VAL A 74 -14.047 -13.107 7.081 1.00 13.13 C ATOM 1053 CG2 VAL A 74 -14.546 -13.918 4.764 1.00 34.05 C ATOM 0 H VAL A 74 -12.322 -14.857 5.625 1.00 12.42 H new ATOM 0 HA VAL A 74 -14.130 -15.751 7.660 1.00 23.45 H new ATOM 0 HB VAL A 74 -15.740 -14.259 6.497 1.00 43.22 H new ATOM 0 HG11 VAL A 74 -14.511 -12.153 6.829 1.00 13.13 H new ATOM 0 HG12 VAL A 74 -14.198 -13.315 8.140 1.00 13.13 H new ATOM 0 HG13 VAL A 74 -12.979 -13.058 6.869 1.00 13.13 H new ATOM 0 HG21 VAL A 74 -15.002 -12.953 4.543 1.00 34.05 H new ATOM 0 HG22 VAL A 74 -13.491 -13.892 4.491 1.00 34.05 H new ATOM 0 HG23 VAL A 74 -15.049 -14.697 4.191 1.00 34.05 H new ATOM 1063 N ALA A 75 -14.364 -16.914 4.594 1.00 45.24 N ATOM 1064 CA ALA A 75 -14.985 -17.939 3.765 1.00 62.41 C ATOM 1065 C ALA A 75 -14.700 -19.334 4.312 1.00 71.11 C ATOM 1066 O ALA A 75 -15.563 -20.212 4.281 1.00 4.04 O ATOM 1067 CB ALA A 75 -14.497 -17.824 2.328 1.00 32.23 C ATOM 0 H ALA A 75 -13.599 -16.414 4.142 1.00 45.24 H new ATOM 0 HA ALA A 75 -16.064 -17.782 3.784 1.00 62.41 H new ATOM 0 HB1 ALA A 75 -14.969 -18.596 1.720 1.00 32.23 H new ATOM 0 HB2 ALA A 75 -14.757 -16.842 1.933 1.00 32.23 H new ATOM 0 HB3 ALA A 75 -13.415 -17.952 2.300 1.00 32.23 H new ATOM 1073 N VAL A 76 -13.484 -19.532 4.812 1.00 52.14 N ATOM 1074 CA VAL A 76 -13.086 -20.820 5.366 1.00 61.20 C ATOM 1075 C VAL A 76 -13.662 -21.019 6.763 1.00 1.04 C ATOM 1076 O VAL A 76 -14.137 -22.103 7.101 1.00 2.25 O ATOM 1077 CB VAL A 76 -11.553 -20.953 5.431 1.00 63.41 C ATOM 1078 CG1 VAL A 76 -10.967 -19.922 6.384 1.00 61.44 C ATOM 1079 CG2 VAL A 76 -11.158 -22.362 5.848 1.00 1.01 C ATOM 0 H VAL A 76 -12.758 -18.816 4.845 1.00 52.14 H new ATOM 0 HA VAL A 76 -13.482 -21.587 4.700 1.00 61.20 H new ATOM 0 HB VAL A 76 -11.147 -20.765 4.437 1.00 63.41 H new ATOM 0 HG11 VAL A 76 -9.883 -20.031 6.417 1.00 61.44 H new ATOM 0 HG12 VAL A 76 -11.220 -18.920 6.037 1.00 61.44 H new ATOM 0 HG13 VAL A 76 -11.377 -20.075 7.382 1.00 61.44 H new ATOM 0 HG21 VAL A 76 -10.071 -22.438 5.889 1.00 1.01 H new ATOM 0 HG22 VAL A 76 -11.574 -22.581 6.831 1.00 1.01 H new ATOM 0 HG23 VAL A 76 -11.545 -23.078 5.123 1.00 1.01 H new ATOM 1089 N MET A 77 -13.617 -19.965 7.571 1.00 1.25 N ATOM 1090 CA MET A 77 -14.136 -20.023 8.933 1.00 74.31 C ATOM 1091 C MET A 77 -15.654 -20.173 8.930 1.00 74.25 C ATOM 1092 O MET A 77 -16.200 -21.071 9.572 1.00 51.51 O ATOM 1093 CB MET A 77 -13.738 -18.766 9.708 1.00 51.20 C ATOM 1094 CG MET A 77 -12.299 -18.784 10.197 1.00 41.42 C ATOM 1095 SD MET A 77 -12.010 -20.036 11.462 1.00 53.15 S ATOM 1096 CE MET A 77 -11.126 -21.274 10.517 1.00 44.24 C ATOM 0 H MET A 77 -13.227 -19.061 7.307 1.00 1.25 H new ATOM 0 HA MET A 77 -13.703 -20.895 9.423 1.00 74.31 H new ATOM 0 HB2 MET A 77 -13.886 -17.894 9.071 1.00 51.20 H new ATOM 0 HB3 MET A 77 -14.403 -18.651 10.564 1.00 51.20 H new ATOM 0 HG2 MET A 77 -11.635 -18.967 9.352 1.00 41.42 H new ATOM 0 HG3 MET A 77 -12.043 -17.803 10.597 1.00 41.42 H new ATOM 0 HE1 MET A 77 -11.359 -22.265 10.907 1.00 44.24 H new ATOM 0 HE2 MET A 77 -11.426 -21.216 9.471 1.00 44.24 H new ATOM 0 HE3 MET A 77 -10.054 -21.096 10.597 1.00 44.24 H new ATOM 1106 N ARG A 78 -16.330 -19.289 8.203 1.00 33.10 N ATOM 1107 CA ARG A 78 -17.785 -19.323 8.118 1.00 13.10 C ATOM 1108 C ARG A 78 -18.263 -20.633 7.498 1.00 14.24 C ATOM 1109 O ARG A 78 -19.304 -21.168 7.879 1.00 4.34 O ATOM 1110 CB ARG A 78 -18.297 -18.140 7.294 1.00 1.20 C ATOM 1111 CG ARG A 78 -19.754 -17.799 7.558 1.00 54.22 C ATOM 1112 CD ARG A 78 -20.214 -16.624 6.709 1.00 72.24 C ATOM 1113 NE ARG A 78 -21.375 -15.952 7.287 1.00 62.05 N ATOM 1114 CZ ARG A 78 -21.943 -14.877 6.752 1.00 0.21 C ATOM 1115 NH1 ARG A 78 -21.460 -14.355 5.633 1.00 53.11 N ATOM 1116 NH2 ARG A 78 -22.997 -14.322 7.337 1.00 3.31 N ATOM 0 H ARG A 78 -15.893 -18.541 7.665 1.00 33.10 H new ATOM 0 HA ARG A 78 -18.185 -19.252 9.130 1.00 13.10 H new ATOM 0 HB2 ARG A 78 -17.683 -17.265 7.509 1.00 1.20 H new ATOM 0 HB3 ARG A 78 -18.171 -18.364 6.235 1.00 1.20 H new ATOM 0 HG2 ARG A 78 -20.376 -18.668 7.346 1.00 54.22 H new ATOM 0 HG3 ARG A 78 -19.888 -17.561 8.613 1.00 54.22 H new ATOM 0 HD2 ARG A 78 -19.397 -15.910 6.605 1.00 72.24 H new ATOM 0 HD3 ARG A 78 -20.460 -16.975 5.707 1.00 72.24 H new ATOM 0 HE ARG A 78 -21.771 -16.329 8.148 1.00 62.05 H new ATOM 0 HH11 ARG A 78 -20.650 -14.779 5.181 1.00 53.11 H new ATOM 0 HH12 ARG A 78 -21.898 -13.529 5.225 1.00 53.11 H new ATOM 0 HH21 ARG A 78 -23.371 -14.721 8.198 1.00 3.31 H new ATOM 0 HH22 ARG A 78 -23.433 -13.497 6.926 1.00 3.31 H new ATOM 1130 N ASN A 79 -17.496 -21.143 6.540 1.00 32.05 N ATOM 1131 CA ASN A 79 -17.842 -22.390 5.867 1.00 0.41 C ATOM 1132 C ASN A 79 -17.854 -23.555 6.852 1.00 55.30 C ATOM 1133 O ASN A 79 -18.866 -24.240 7.008 1.00 24.12 O ATOM 1134 CB ASN A 79 -16.852 -22.674 4.736 1.00 61.02 C ATOM 1135 CG ASN A 79 -16.947 -24.100 4.230 1.00 65.43 C ATOM 1136 OD1 ASN A 79 -16.058 -24.917 4.473 1.00 34.51 O ATOM 1137 ND2 ASN A 79 -18.027 -24.406 3.521 1.00 71.02 N ATOM 0 H ASN A 79 -16.631 -20.712 6.212 1.00 32.05 H new ATOM 0 HA ASN A 79 -18.842 -22.282 5.447 1.00 0.41 H new ATOM 0 HB2 ASN A 79 -17.039 -21.986 3.912 1.00 61.02 H new ATOM 0 HB3 ASN A 79 -15.838 -22.483 5.088 1.00 61.02 H new ATOM 0 HD21 ASN A 79 -18.145 -25.350 3.153 1.00 71.02 H new ATOM 0 HD22 ASN A 79 -18.739 -23.697 3.344 1.00 71.02 H new ATOM 1144 N THR A 80 -16.723 -23.774 7.516 1.00 55.43 N ATOM 1145 CA THR A 80 -16.603 -24.855 8.485 1.00 33.30 C ATOM 1146 C THR A 80 -17.663 -24.738 9.574 1.00 14.12 C ATOM 1147 O THR A 80 -18.026 -25.728 10.210 1.00 1.34 O ATOM 1148 CB THR A 80 -15.209 -24.870 9.141 1.00 55.14 C ATOM 1149 OG1 THR A 80 -15.098 -25.986 10.030 1.00 33.24 O ATOM 1150 CG2 THR A 80 -14.957 -23.579 9.905 1.00 52.24 C ATOM 0 H THR A 80 -15.877 -23.216 7.400 1.00 55.43 H new ATOM 0 HA THR A 80 -16.749 -25.786 7.938 1.00 33.30 H new ATOM 0 HB THR A 80 -14.461 -24.959 8.353 1.00 55.14 H new ATOM 0 HG1 THR A 80 -14.209 -25.989 10.442 1.00 33.24 H new ATOM 0 HG21 THR A 80 -13.967 -23.613 10.360 1.00 52.24 H new ATOM 0 HG22 THR A 80 -15.013 -22.734 9.219 1.00 52.24 H new ATOM 0 HG23 THR A 80 -15.710 -23.465 10.684 1.00 52.24 H new ATOM 1158 N TYR A 81 -18.157 -23.523 9.784 1.00 54.24 N ATOM 1159 CA TYR A 81 -19.176 -23.276 10.798 1.00 65.02 C ATOM 1160 C TYR A 81 -20.525 -23.840 10.364 1.00 40.15 C ATOM 1161 O TYR A 81 -21.184 -24.553 11.119 1.00 52.22 O ATOM 1162 CB TYR A 81 -19.301 -21.776 11.070 1.00 22.13 C ATOM 1163 CG TYR A 81 -20.676 -21.359 11.540 1.00 10.14 C ATOM 1164 CD1 TYR A 81 -21.164 -21.769 12.775 1.00 24.32 C ATOM 1165 CD2 TYR A 81 -21.488 -20.555 10.750 1.00 72.53 C ATOM 1166 CE1 TYR A 81 -22.420 -21.391 13.209 1.00 63.34 C ATOM 1167 CE2 TYR A 81 -22.745 -20.171 11.176 1.00 62.44 C ATOM 1168 CZ TYR A 81 -23.206 -20.592 12.406 1.00 52.14 C ATOM 1169 OH TYR A 81 -24.458 -20.213 12.833 1.00 51.41 O ATOM 0 H TYR A 81 -17.868 -22.693 9.266 1.00 54.24 H new ATOM 0 HA TYR A 81 -18.870 -23.781 11.714 1.00 65.02 H new ATOM 0 HB2 TYR A 81 -18.566 -21.489 11.822 1.00 22.13 H new ATOM 0 HB3 TYR A 81 -19.056 -21.228 10.160 1.00 22.13 H new ATOM 0 HD1 TYR A 81 -20.550 -22.394 13.407 1.00 24.32 H new ATOM 0 HD2 TYR A 81 -21.130 -20.224 9.786 1.00 72.53 H new ATOM 0 HE1 TYR A 81 -22.784 -21.719 14.171 1.00 63.34 H new ATOM 0 HE2 TYR A 81 -23.363 -19.545 10.550 1.00 62.44 H new ATOM 0 HH TYR A 81 -24.880 -19.651 12.150 1.00 51.41 H new ATOM 1179 N ASN A 82 -20.929 -23.515 9.140 1.00 44.43 N ATOM 1180 CA ASN A 82 -22.199 -23.988 8.603 1.00 73.11 C ATOM 1181 C ASN A 82 -22.098 -25.449 8.175 1.00 55.13 C ATOM 1182 O ASN A 82 -23.103 -26.158 8.103 1.00 50.22 O ATOM 1183 CB ASN A 82 -22.628 -23.125 7.414 1.00 1.05 C ATOM 1184 CG ASN A 82 -23.706 -23.787 6.578 1.00 13.24 C ATOM 1185 OD1 ASN A 82 -23.435 -24.311 5.498 1.00 33.20 O ATOM 1186 ND2 ASN A 82 -24.937 -23.765 7.076 1.00 53.00 N ATOM 0 H ASN A 82 -20.395 -22.926 8.502 1.00 44.43 H new ATOM 0 HA ASN A 82 -22.949 -23.909 9.390 1.00 73.11 H new ATOM 0 HB2 ASN A 82 -22.993 -22.165 7.779 1.00 1.05 H new ATOM 0 HB3 ASN A 82 -21.761 -22.919 6.787 1.00 1.05 H new ATOM 0 HD21 ASN A 82 -25.704 -24.194 6.559 1.00 53.00 H new ATOM 0 HD22 ASN A 82 -25.115 -23.319 7.976 1.00 53.00 H new ATOM 1193 N THR A 83 -20.878 -25.894 7.891 1.00 32.13 N ATOM 1194 CA THR A 83 -20.645 -27.270 7.470 1.00 52.32 C ATOM 1195 C THR A 83 -20.611 -28.213 8.667 1.00 63.13 C ATOM 1196 O THR A 83 -21.242 -29.270 8.654 1.00 24.21 O ATOM 1197 CB THR A 83 -19.325 -27.402 6.688 1.00 5.32 C ATOM 1198 OG1 THR A 83 -19.548 -27.132 5.300 1.00 41.12 O ATOM 1199 CG2 THR A 83 -18.736 -28.795 6.851 1.00 33.11 C ATOM 0 H THR A 83 -20.036 -25.321 7.945 1.00 32.13 H new ATOM 0 HA THR A 83 -21.474 -27.546 6.818 1.00 52.32 H new ATOM 0 HB THR A 83 -18.617 -26.677 7.089 1.00 5.32 H new ATOM 0 HG1 THR A 83 -18.703 -27.216 4.810 1.00 41.12 H new ATOM 0 HG21 THR A 83 -17.804 -28.864 6.290 1.00 33.11 H new ATOM 0 HG22 THR A 83 -18.539 -28.986 7.906 1.00 33.11 H new ATOM 0 HG23 THR A 83 -19.442 -29.535 6.474 1.00 33.11 H new ATOM 1207 N ARG A 84 -19.871 -27.824 9.700 1.00 64.12 N ATOM 1208 CA ARG A 84 -19.754 -28.636 10.905 1.00 61.31 C ATOM 1209 C ARG A 84 -21.078 -28.678 11.663 1.00 45.41 C ATOM 1210 O ARG A 84 -21.442 -29.701 12.243 1.00 50.23 O ATOM 1211 CB ARG A 84 -18.652 -28.086 11.812 1.00 44.14 C ATOM 1212 CG ARG A 84 -17.249 -28.309 11.270 1.00 52.14 C ATOM 1213 CD ARG A 84 -16.565 -29.479 11.958 1.00 32.45 C ATOM 1214 NE ARG A 84 -15.114 -29.435 11.801 1.00 70.44 N ATOM 1215 CZ ARG A 84 -14.277 -30.210 12.482 1.00 1.40 C ATOM 1216 NH1 ARG A 84 -14.745 -31.083 13.363 1.00 64.33 N ATOM 1217 NH2 ARG A 84 -12.969 -30.111 12.283 1.00 43.03 N ATOM 0 H ARG A 84 -19.343 -26.951 9.727 1.00 64.12 H new ATOM 0 HA ARG A 84 -19.494 -29.651 10.605 1.00 61.31 H new ATOM 0 HB2 ARG A 84 -18.811 -27.017 11.956 1.00 44.14 H new ATOM 0 HB3 ARG A 84 -18.732 -28.555 12.793 1.00 44.14 H new ATOM 0 HG2 ARG A 84 -17.298 -28.495 10.197 1.00 52.14 H new ATOM 0 HG3 ARG A 84 -16.656 -27.406 11.411 1.00 52.14 H new ATOM 0 HD2 ARG A 84 -16.815 -29.472 13.019 1.00 32.45 H new ATOM 0 HD3 ARG A 84 -16.946 -30.414 11.547 1.00 32.45 H new ATOM 0 HE ARG A 84 -14.721 -28.773 11.132 1.00 70.44 H new ATOM 0 HH11 ARG A 84 -15.750 -31.161 13.519 1.00 64.33 H new ATOM 0 HH12 ARG A 84 -14.100 -31.677 13.884 1.00 64.33 H new ATOM 0 HH21 ARG A 84 -12.605 -29.439 11.607 1.00 43.03 H new ATOM 0 HH22 ARG A 84 -12.327 -30.706 12.806 1.00 43.03 H new ATOM 1231 N LYS A 85 -21.793 -27.558 11.655 1.00 72.12 N ATOM 1232 CA LYS A 85 -23.077 -27.465 12.340 1.00 22.02 C ATOM 1233 C LYS A 85 -24.168 -28.183 11.552 1.00 23.02 C ATOM 1234 O LYS A 85 -25.161 -28.636 12.120 1.00 4.32 O ATOM 1235 CB LYS A 85 -23.463 -25.999 12.546 1.00 1.44 C ATOM 1236 CG LYS A 85 -23.975 -25.322 11.287 1.00 52.31 C ATOM 1237 CD LYS A 85 -25.492 -25.369 11.206 1.00 62.44 C ATOM 1238 CE LYS A 85 -26.052 -24.137 10.513 1.00 41.33 C ATOM 1239 NZ LYS A 85 -27.107 -24.488 9.523 1.00 73.33 N ATOM 0 H LYS A 85 -21.505 -26.702 11.182 1.00 72.12 H new ATOM 0 HA LYS A 85 -22.978 -27.949 13.312 1.00 22.02 H new ATOM 0 HB2 LYS A 85 -24.230 -25.939 13.318 1.00 1.44 H new ATOM 0 HB3 LYS A 85 -22.595 -25.452 12.915 1.00 1.44 H new ATOM 0 HG2 LYS A 85 -23.641 -24.285 11.269 1.00 52.31 H new ATOM 0 HG3 LYS A 85 -23.548 -25.810 10.411 1.00 52.31 H new ATOM 0 HD2 LYS A 85 -25.801 -26.264 10.665 1.00 62.44 H new ATOM 0 HD3 LYS A 85 -25.909 -25.444 12.210 1.00 62.44 H new ATOM 0 HE2 LYS A 85 -26.465 -23.458 11.258 1.00 41.33 H new ATOM 0 HE3 LYS A 85 -25.245 -23.605 10.010 1.00 41.33 H new ATOM 0 HZ1 LYS A 85 -27.463 -23.621 9.073 1.00 73.33 H new ATOM 0 HZ2 LYS A 85 -26.707 -25.116 8.797 1.00 73.33 H new ATOM 0 HZ3 LYS A 85 -27.890 -24.973 10.007 1.00 73.33 H new ATOM 1253 N ASN A 86 -23.975 -28.284 10.241 1.00 31.31 N ATOM 1254 CA ASN A 86 -24.943 -28.949 9.375 1.00 2.44 C ATOM 1255 C ASN A 86 -25.207 -30.375 9.849 1.00 55.50 C ATOM 1256 O ASN A 86 -26.356 -30.806 9.940 1.00 54.10 O ATOM 1257 CB ASN A 86 -24.440 -28.964 7.931 1.00 65.24 C ATOM 1258 CG ASN A 86 -25.435 -28.350 6.965 1.00 21.50 C ATOM 1259 OD1 ASN A 86 -26.532 -29.056 6.719 1.00 53.30 O flip ATOM 1260 ND2 ASN A 86 -25.219 -27.255 6.447 1.00 75.31 N flip ATOM 0 H ASN A 86 -23.158 -27.914 9.755 1.00 31.31 H new ATOM 0 HA ASN A 86 -25.878 -28.391 9.421 1.00 2.44 H new ATOM 0 HB2 ASN A 86 -23.497 -28.420 7.872 1.00 65.24 H new ATOM 0 HB3 ASN A 86 -24.234 -29.992 7.632 1.00 65.24 H new ATOM 0 HD21 ASN A 86 -24.362 -26.748 6.666 1.00 75.31 H new ATOM 0 HD22 ASN A 86 -25.897 -26.855 5.799 1.00 75.31 H new ATOM 1267 N ALA A 87 -24.136 -31.101 10.150 1.00 41.31 N ATOM 1268 CA ALA A 87 -24.252 -32.477 10.617 1.00 51.34 C ATOM 1269 C ALA A 87 -24.888 -32.535 12.001 1.00 1.24 C ATOM 1270 O ALA A 87 -25.556 -33.509 12.349 1.00 42.04 O ATOM 1271 CB ALA A 87 -22.886 -33.146 10.633 1.00 44.33 C ATOM 0 H ALA A 87 -23.178 -30.759 10.079 1.00 41.31 H new ATOM 0 HA ALA A 87 -24.900 -33.016 9.926 1.00 51.34 H new ATOM 0 HB1 ALA A 87 -22.988 -34.173 10.984 1.00 44.33 H new ATOM 0 HB2 ALA A 87 -22.469 -33.146 9.626 1.00 44.33 H new ATOM 0 HB3 ALA A 87 -22.221 -32.599 11.301 1.00 44.33 H new ATOM 1277 N VAL A 88 -24.676 -31.486 12.790 1.00 45.34 N ATOM 1278 CA VAL A 88 -25.228 -31.417 14.137 1.00 34.40 C ATOM 1279 C VAL A 88 -26.743 -31.246 14.102 1.00 42.45 C ATOM 1280 O VAL A 88 -27.487 -32.096 14.591 1.00 15.52 O ATOM 1281 CB VAL A 88 -24.610 -30.257 14.939 1.00 22.34 C ATOM 1282 CG1 VAL A 88 -25.221 -30.184 16.330 1.00 23.55 C ATOM 1283 CG2 VAL A 88 -23.099 -30.412 15.019 1.00 5.42 C ATOM 0 H VAL A 88 -24.125 -30.672 12.518 1.00 45.34 H new ATOM 0 HA VAL A 88 -24.982 -32.359 14.628 1.00 34.40 H new ATOM 0 HB VAL A 88 -24.830 -29.323 14.423 1.00 22.34 H new ATOM 0 HG11 VAL A 88 -24.772 -29.358 16.882 1.00 23.55 H new ATOM 0 HG12 VAL A 88 -26.296 -30.023 16.247 1.00 23.55 H new ATOM 0 HG13 VAL A 88 -25.034 -31.118 16.859 1.00 23.55 H new ATOM 0 HG21 VAL A 88 -22.678 -29.584 15.589 1.00 5.42 H new ATOM 0 HG22 VAL A 88 -22.855 -31.353 15.512 1.00 5.42 H new ATOM 0 HG23 VAL A 88 -22.679 -30.410 14.013 1.00 5.42 H new ATOM 1293 N THR A 89 -27.194 -30.140 13.518 1.00 50.50 N ATOM 1294 CA THR A 89 -28.620 -29.855 13.419 1.00 41.14 C ATOM 1295 C THR A 89 -29.354 -30.974 12.689 1.00 14.11 C ATOM 1296 O THR A 89 -30.539 -31.209 12.925 1.00 0.34 O ATOM 1297 CB THR A 89 -28.878 -28.524 12.686 1.00 25.54 C ATOM 1298 OG1 THR A 89 -30.282 -28.249 12.650 1.00 73.53 O ATOM 1299 CG2 THR A 89 -28.328 -28.572 11.269 1.00 42.23 C ATOM 0 H THR A 89 -26.592 -29.427 13.106 1.00 50.50 H new ATOM 0 HA THR A 89 -28.999 -29.779 14.438 1.00 41.14 H new ATOM 0 HB THR A 89 -28.367 -27.729 13.230 1.00 25.54 H new ATOM 0 HG1 THR A 89 -30.437 -27.401 12.184 1.00 73.53 H new ATOM 0 HG21 THR A 89 -28.522 -27.622 10.771 1.00 42.23 H new ATOM 0 HG22 THR A 89 -27.253 -28.752 11.302 1.00 42.23 H new ATOM 0 HG23 THR A 89 -28.814 -29.377 10.717 1.00 42.23 H new ATOM 1307 N ALA A 90 -28.643 -31.662 11.802 1.00 73.10 N ATOM 1308 CA ALA A 90 -29.228 -32.759 11.040 1.00 45.31 C ATOM 1309 C ALA A 90 -29.869 -33.789 11.964 1.00 43.34 C ATOM 1310 O ALA A 90 -30.660 -34.623 11.524 1.00 74.43 O ATOM 1311 CB ALA A 90 -28.170 -33.416 10.166 1.00 21.40 C ATOM 0 H ALA A 90 -27.661 -31.479 11.593 1.00 73.10 H new ATOM 0 HA ALA A 90 -30.009 -32.349 10.400 1.00 45.31 H new ATOM 0 HB1 ALA A 90 -28.620 -34.233 9.602 1.00 21.40 H new ATOM 0 HB2 ALA A 90 -27.761 -32.680 9.474 1.00 21.40 H new ATOM 0 HB3 ALA A 90 -27.370 -33.806 10.795 1.00 21.40 H new TER 1317 ALA A 90