USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1056 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 3 HIS :FLIP no HD1:sc=-0.00895 F(o=0.51,f=1.2) USER MOD Set 1.2: A 103 THR OG1 : rot 83:sc= 1.24 USER MOD Set 2.1: A 102 MET CE :methyl 154:sc= -0.185 (180deg=-0.843) USER MOD Set 2.2: A 106 GLN : amide:sc= 0.611 K(o=0.43,f=-0.19) USER MOD Set 3.1: A 93 ASN : amide:sc= 0.65 K(o=0.65,f=-9.8!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 85 GLN :FLIP amide:sc= -1.14 F(o=-2.1!,f=-1.2) USER MOD Set 4.2: A 87 HIS :FLIP no HD1:sc= -0.0393 X(o=-1.6,f=-1.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 36:sc= 0.0973 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.09! C(o=-3.4!,f=-2.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.002 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -71:sc= 0.475 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.000468 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0338 (180deg=-0.216) USER MOD Single : A 38 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.0038) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 43 SER OG : rot 94:sc= 0.146 USER MOD Single : A 44 THR OG1 : rot -18:sc= 0.511 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.114 F(o=-1.4!,f=-0.11) USER MOD Single : A 51 THR OG1 : rot -34:sc= -1.59! USER MOD Single : A 54 SER OG : rot 180:sc= -0.268 USER MOD Single : A 55 SER OG : rot 140:sc= -1.06 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.08) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 152:sc= -8.23! (180deg=-9.98!) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -2.78! (180deg=-3.45!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.462 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= -0.0137 (180deg=-0.167) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.125 (180deg=-0.384) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0204) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.617 F(o=-3.6!,f=-0.62) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -122:sc= -1.39 (180deg=-3.82!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -170:sc= -1.96 (180deg=-3.01) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.32 F(o=-2.8!,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.12) USER MOD Single : A 105 GLN :FLIP amide:sc= -1.31! F(o=-2.4,f=-1.3!) USER MOD Single : A 109 SER OG : rot 93:sc= 1.22 USER MOD Single : A 111 TYR OH : rot 165:sc= -1.06 USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= -0.0348 (180deg=-0.178) USER MOD Single : B 246 TYR OH : rot 180:sc= 0 USER MOD Single : B 250 MET CE :methyl 143:sc= -0.185 (180deg=-0.943) USER MOD Single : B 252 SER OG : rot -56:sc= 0.282 USER MOD Single : B 256 SER OG : rot 180:sc= 0.0555 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 16.710 -8.059 0.091 1.00 2.67 N ATOM 2 CA PRO A 1 15.418 -7.383 -0.165 1.00 2.00 C ATOM 3 C PRO A 1 14.697 -7.057 1.141 1.00 1.62 C ATOM 4 O PRO A 1 13.784 -7.772 1.557 1.00 2.41 O ATOM 5 CB PRO A 1 14.553 -8.280 -1.036 1.00 2.55 C ATOM 6 CG PRO A 1 15.515 -9.285 -1.556 1.00 3.07 C ATOM 7 CD PRO A 1 16.604 -9.404 -0.515 1.00 3.14 C ATOM 0 H2 PRO A 1 16.894 -8.125 1.092 1.00 2.67 H new ATOM 0 H3 PRO A 1 17.482 -7.535 -0.320 1.00 2.67 H new ATOM 0 HA PRO A 1 15.608 -6.441 -0.680 1.00 2.00 H new ATOM 0 HB2 PRO A 1 13.754 -8.748 -0.462 1.00 2.55 H new ATOM 0 HB3 PRO A 1 14.080 -7.721 -1.843 1.00 2.55 H new ATOM 0 HG2 PRO A 1 15.025 -10.245 -1.718 1.00 3.07 H new ATOM 0 HG3 PRO A 1 15.926 -8.971 -2.515 1.00 3.07 H new ATOM 0 HD2 PRO A 1 16.352 -10.155 0.234 1.00 3.14 H new ATOM 0 HD3 PRO A 1 17.548 -9.708 -0.966 1.00 3.14 H new ATOM 17 N SER A 2 15.118 -5.976 1.787 1.00 0.89 N ATOM 18 CA SER A 2 14.493 -5.536 3.022 1.00 0.52 C ATOM 19 C SER A 2 13.780 -4.200 2.819 1.00 0.49 C ATOM 20 O SER A 2 12.555 -4.120 2.885 1.00 1.09 O ATOM 21 CB SER A 2 15.540 -5.429 4.131 1.00 0.74 C ATOM 22 OG SER A 2 16.669 -4.691 3.693 1.00 1.40 O ATOM 0 H SER A 2 15.891 -5.389 1.473 1.00 0.89 H new ATOM 0 HA SER A 2 13.747 -6.274 3.318 1.00 0.52 H new ATOM 0 HB2 SER A 2 15.102 -4.946 5.005 1.00 0.74 H new ATOM 0 HB3 SER A 2 15.851 -6.427 4.440 1.00 0.74 H new ATOM 0 HG SER A 2 17.324 -4.634 4.419 1.00 1.40 H new ATOM 28 N HIS A 3 14.557 -3.154 2.544 1.00 0.35 N ATOM 29 CA HIS A 3 14.003 -1.826 2.281 1.00 0.24 C ATOM 30 C HIS A 3 13.832 -1.633 0.778 1.00 0.16 C ATOM 31 O HIS A 3 13.705 -0.518 0.284 1.00 0.19 O ATOM 32 CB HIS A 3 14.919 -0.726 2.830 1.00 0.32 C ATOM 33 CG HIS A 3 15.320 -0.901 4.264 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.582 -0.916 5.398 1.00 1.12 N flip ATOM 35 CD2 HIS A 3 16.629 -1.063 4.661 1.00 1.43 C flip ATOM 36 CE1 HIS A 3 15.449 -1.085 6.450 1.00 1.64 C flip ATOM 37 NE2 HIS A 3 16.678 -1.173 5.974 1.00 1.85 N flip ATOM 0 H HIS A 3 15.575 -3.200 2.497 1.00 0.35 H new ATOM 0 HA HIS A 3 13.037 -1.755 2.781 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.820 -0.683 2.218 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.415 0.234 2.723 1.00 0.32 H new ATOM 0 HD2 HIS A 3 17.482 -1.095 4.000 1.00 1.43 H new ATOM 0 HE1 HIS A 3 15.172 -1.137 7.493 1.00 1.64 H new ATOM 0 HE2 HIS A 3 17.524 -1.304 6.529 1.00 1.85 H new ATOM 46 N SER A 4 13.833 -2.743 0.073 1.00 0.14 N ATOM 47 CA SER A 4 13.753 -2.764 -1.383 1.00 0.13 C ATOM 48 C SER A 4 13.362 -4.168 -1.836 1.00 0.15 C ATOM 49 O SER A 4 13.696 -5.146 -1.170 1.00 0.24 O ATOM 50 CB SER A 4 15.090 -2.351 -2.009 1.00 0.17 C ATOM 51 OG SER A 4 16.149 -3.190 -1.573 1.00 0.95 O ATOM 0 H SER A 4 13.890 -3.671 0.493 1.00 0.14 H new ATOM 0 HA SER A 4 12.999 -2.049 -1.713 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.013 -2.395 -3.095 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.312 -1.317 -1.746 1.00 0.17 H new ATOM 0 HG SER A 4 16.987 -2.902 -1.991 1.00 0.95 H new ATOM 57 N GLY A 5 12.650 -4.266 -2.944 1.00 0.14 N ATOM 58 CA GLY A 5 12.223 -5.554 -3.448 1.00 0.15 C ATOM 59 C GLY A 5 11.463 -5.408 -4.745 1.00 0.15 C ATOM 60 O GLY A 5 10.718 -4.449 -4.916 1.00 0.16 O ATOM 0 H GLY A 5 12.357 -3.469 -3.510 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.092 -6.193 -3.603 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.593 -6.047 -2.708 1.00 0.15 H new ATOM 64 N ALA A 6 11.653 -6.336 -5.669 1.00 0.16 N ATOM 65 CA ALA A 6 11.013 -6.241 -6.973 1.00 0.17 C ATOM 66 C ALA A 6 9.514 -6.551 -6.880 1.00 0.21 C ATOM 67 O ALA A 6 9.132 -7.643 -6.464 1.00 0.43 O ATOM 68 CB ALA A 6 11.684 -7.172 -7.968 1.00 0.21 C ATOM 0 H ALA A 6 12.241 -7.159 -5.543 1.00 0.16 H new ATOM 0 HA ALA A 6 11.125 -5.215 -7.324 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.191 -7.086 -8.936 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.734 -6.899 -8.070 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.609 -8.200 -7.613 1.00 0.21 H new ATOM 74 N ALA A 7 8.672 -5.601 -7.276 1.00 0.11 N ATOM 75 CA ALA A 7 7.223 -5.773 -7.174 1.00 0.12 C ATOM 76 C ALA A 7 6.520 -5.442 -8.482 1.00 0.12 C ATOM 77 O ALA A 7 7.038 -4.710 -9.318 1.00 0.13 O ATOM 78 CB ALA A 7 6.647 -4.903 -6.065 1.00 0.12 C ATOM 0 H ALA A 7 8.965 -4.707 -7.669 1.00 0.11 H new ATOM 0 HA ALA A 7 7.049 -6.823 -6.941 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.568 -5.050 -6.011 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.100 -5.180 -5.113 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.860 -3.855 -6.277 1.00 0.12 H new ATOM 84 N ILE A 8 5.331 -5.987 -8.631 1.00 0.15 N ATOM 85 CA ILE A 8 4.476 -5.720 -9.778 1.00 0.19 C ATOM 86 C ILE A 8 3.492 -4.623 -9.418 1.00 0.22 C ATOM 87 O ILE A 8 2.763 -4.733 -8.432 1.00 0.26 O ATOM 88 CB ILE A 8 3.690 -6.983 -10.222 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.612 -8.060 -10.818 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.605 -6.615 -11.220 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.514 -8.746 -9.813 1.00 0.25 C ATOM 0 H ILE A 8 4.923 -6.634 -7.956 1.00 0.15 H new ATOM 0 HA ILE A 8 5.113 -5.413 -10.608 1.00 0.19 H new ATOM 0 HB ILE A 8 3.228 -7.402 -9.328 1.00 0.23 H new ATOM 0 HG12 ILE A 8 3.997 -8.815 -11.309 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.232 -7.603 -11.589 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.066 -7.514 -11.519 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.911 -5.911 -10.760 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.059 -6.155 -12.098 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.128 -9.489 -10.323 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.159 -8.006 -9.339 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.905 -9.237 -9.054 1.00 0.25 H new ATOM 103 N PHE A 9 3.482 -3.570 -10.208 1.00 0.28 N ATOM 104 CA PHE A 9 2.624 -2.435 -9.945 1.00 0.34 C ATOM 105 C PHE A 9 1.826 -2.087 -11.195 1.00 0.46 C ATOM 106 O PHE A 9 2.362 -1.503 -12.135 1.00 0.52 O ATOM 107 CB PHE A 9 3.477 -1.252 -9.474 1.00 0.35 C ATOM 108 CG PHE A 9 2.720 0.015 -9.190 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.944 0.139 -8.052 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.815 1.093 -10.052 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.272 1.314 -7.782 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.141 2.268 -9.789 1.00 0.56 C ATOM 113 CZ PHE A 9 1.370 2.380 -8.652 1.00 0.52 C ATOM 0 H PHE A 9 4.062 -3.477 -11.042 1.00 0.28 H new ATOM 0 HA PHE A 9 1.913 -2.680 -9.156 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.010 -1.547 -8.570 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.230 -1.043 -10.234 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.863 -0.692 -7.367 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.424 1.014 -10.941 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.670 1.399 -6.890 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.218 3.100 -10.474 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.844 3.300 -8.443 1.00 0.52 H new ATOM 123 N GLU A 10 0.549 -2.467 -11.192 1.00 0.58 N ATOM 124 CA GLU A 10 -0.338 -2.300 -12.345 1.00 0.73 C ATOM 125 C GLU A 10 0.097 -3.194 -13.498 1.00 0.64 C ATOM 126 O GLU A 10 0.413 -2.722 -14.594 1.00 0.67 O ATOM 127 CB GLU A 10 -0.404 -0.845 -12.803 1.00 0.87 C ATOM 128 CG GLU A 10 -0.851 0.114 -11.716 1.00 0.98 C ATOM 129 CD GLU A 10 -1.087 1.514 -12.241 1.00 1.21 C ATOM 130 OE1 GLU A 10 -0.107 2.277 -12.379 1.00 1.25 O ATOM 131 OE2 GLU A 10 -2.256 1.869 -12.512 1.00 1.46 O ATOM 0 H GLU A 10 0.098 -2.901 -10.387 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.338 -2.597 -12.027 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.579 -0.541 -13.162 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.089 -0.769 -13.647 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.768 -0.260 -11.261 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.096 0.146 -10.931 1.00 0.98 H new ATOM 138 N LYS A 11 0.130 -4.489 -13.211 1.00 0.58 N ATOM 139 CA LYS A 11 0.352 -5.543 -14.208 1.00 0.55 C ATOM 140 C LYS A 11 1.780 -5.569 -14.756 1.00 0.49 C ATOM 141 O LYS A 11 2.156 -6.497 -15.474 1.00 0.56 O ATOM 142 CB LYS A 11 -0.655 -5.419 -15.351 1.00 0.65 C ATOM 143 CG LYS A 11 -2.080 -5.328 -14.846 1.00 0.74 C ATOM 144 CD LYS A 11 -2.516 -6.582 -14.138 1.00 1.29 C ATOM 145 CE LYS A 11 -3.534 -6.268 -13.067 1.00 1.32 C ATOM 146 NZ LYS A 11 -4.839 -5.844 -13.636 1.00 1.91 N ATOM 0 H LYS A 11 0.002 -4.848 -12.265 1.00 0.58 H new ATOM 0 HA LYS A 11 0.203 -6.491 -13.691 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.423 -4.534 -15.943 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.559 -6.280 -16.013 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.169 -4.480 -14.167 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.749 -5.136 -15.685 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.942 -7.281 -14.857 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.651 -7.072 -13.691 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.682 -7.148 -12.441 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.148 -5.479 -12.422 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.505 -5.640 -12.863 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -4.705 -4.989 -14.213 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -5.223 -6.606 -14.231 1.00 1.91 H new ATOM 160 N VAL A 12 2.578 -4.567 -14.418 1.00 0.44 N ATOM 161 CA VAL A 12 3.969 -4.535 -14.844 1.00 0.42 C ATOM 162 C VAL A 12 4.904 -4.884 -13.690 1.00 0.35 C ATOM 163 O VAL A 12 4.768 -4.360 -12.583 1.00 0.30 O ATOM 164 CB VAL A 12 4.367 -3.167 -15.452 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.711 -2.019 -14.709 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.879 -3.001 -15.440 1.00 0.46 C ATOM 0 H VAL A 12 2.288 -3.769 -13.853 1.00 0.44 H new ATOM 0 HA VAL A 12 4.072 -5.288 -15.626 1.00 0.42 H new ATOM 0 HB VAL A 12 4.014 -3.147 -16.483 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.011 -1.074 -15.161 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.627 -2.120 -14.766 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.022 -2.036 -13.665 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.142 -2.035 -15.870 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.243 -3.052 -14.414 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.337 -3.797 -16.027 1.00 0.46 H new ATOM 176 N SER A 13 5.835 -5.786 -13.958 1.00 0.35 N ATOM 177 CA SER A 13 6.836 -6.165 -12.981 1.00 0.30 C ATOM 178 C SER A 13 7.955 -5.132 -12.927 1.00 0.28 C ATOM 179 O SER A 13 8.553 -4.788 -13.949 1.00 0.40 O ATOM 180 CB SER A 13 7.397 -7.546 -13.320 1.00 0.34 C ATOM 181 OG SER A 13 7.832 -7.601 -14.670 1.00 1.02 O ATOM 0 H SER A 13 5.916 -6.271 -14.852 1.00 0.35 H new ATOM 0 HA SER A 13 6.367 -6.206 -11.998 1.00 0.30 H new ATOM 0 HB2 SER A 13 8.230 -7.777 -12.656 1.00 0.34 H new ATOM 0 HB3 SER A 13 6.633 -8.305 -13.149 1.00 0.34 H new ATOM 0 HG SER A 13 8.213 -6.735 -14.927 1.00 1.02 H new ATOM 187 N GLY A 14 8.217 -4.634 -11.734 1.00 0.16 N ATOM 188 CA GLY A 14 9.255 -3.660 -11.545 1.00 0.14 C ATOM 189 C GLY A 14 9.952 -3.841 -10.223 1.00 0.12 C ATOM 190 O GLY A 14 9.979 -4.940 -9.683 1.00 0.14 O ATOM 0 H GLY A 14 7.719 -4.894 -10.883 1.00 0.16 H new ATOM 0 HA2 GLY A 14 9.981 -3.740 -12.354 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.829 -2.658 -11.598 1.00 0.14 H new ATOM 194 N ILE A 15 10.522 -2.772 -9.703 1.00 0.11 N ATOM 195 CA ILE A 15 11.249 -2.833 -8.453 1.00 0.12 C ATOM 196 C ILE A 15 10.720 -1.802 -7.475 1.00 0.10 C ATOM 197 O ILE A 15 10.169 -0.794 -7.872 1.00 0.08 O ATOM 198 CB ILE A 15 12.756 -2.603 -8.651 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.272 -3.373 -9.866 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.538 -3.005 -7.409 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.303 -4.873 -9.720 1.00 0.19 C ATOM 0 H ILE A 15 10.495 -1.846 -10.131 1.00 0.11 H new ATOM 0 HA ILE A 15 11.100 -3.836 -8.053 1.00 0.12 H new ATOM 0 HB ILE A 15 12.906 -1.537 -8.825 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.649 -3.122 -10.724 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.281 -3.027 -10.092 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.601 -2.832 -7.577 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.203 -2.410 -6.560 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.371 -4.062 -7.200 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.685 -5.320 -10.638 1.00 0.19 H new ATOM 0 HD12 ILE A 15 13.952 -5.144 -8.887 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.295 -5.241 -9.529 1.00 0.19 H new ATOM 213 N ILE A 16 10.884 -2.075 -6.206 1.00 0.13 N ATOM 214 CA ILE A 16 10.435 -1.185 -5.155 1.00 0.11 C ATOM 215 C ILE A 16 11.584 -0.872 -4.216 1.00 0.12 C ATOM 216 O ILE A 16 12.350 -1.759 -3.846 1.00 0.15 O ATOM 217 CB ILE A 16 9.256 -1.807 -4.376 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.995 -1.005 -4.640 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.528 -1.874 -2.874 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.759 -1.633 -4.050 1.00 0.16 C ATOM 0 H ILE A 16 11.335 -2.925 -5.866 1.00 0.13 H new ATOM 0 HA ILE A 16 10.087 -0.258 -5.610 1.00 0.11 H new ATOM 0 HB ILE A 16 9.128 -2.831 -4.727 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.117 -0.003 -4.230 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.861 -0.895 -5.716 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.671 -2.319 -2.368 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.413 -2.483 -2.691 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.694 -0.868 -2.489 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.892 -1.011 -4.274 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.614 -2.625 -4.479 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.875 -1.719 -2.970 1.00 0.16 H new ATOM 232 N ALA A 17 11.745 0.391 -3.887 1.00 0.10 N ATOM 233 CA ALA A 17 12.747 0.785 -2.920 1.00 0.10 C ATOM 234 C ALA A 17 12.221 1.835 -1.954 1.00 0.08 C ATOM 235 O ALA A 17 11.918 2.954 -2.350 1.00 0.08 O ATOM 236 CB ALA A 17 13.987 1.280 -3.631 1.00 0.12 C ATOM 0 H ALA A 17 11.198 1.160 -4.273 1.00 0.10 H new ATOM 0 HA ALA A 17 13.004 -0.093 -2.328 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.735 1.574 -2.895 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.388 0.484 -4.259 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.732 2.139 -4.252 1.00 0.12 H new ATOM 242 N ILE A 18 12.108 1.467 -0.694 1.00 0.08 N ATOM 243 CA ILE A 18 11.799 2.418 0.352 1.00 0.08 C ATOM 244 C ILE A 18 13.096 3.058 0.815 1.00 0.09 C ATOM 245 O ILE A 18 14.040 2.359 1.192 1.00 0.18 O ATOM 246 CB ILE A 18 11.145 1.788 1.592 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.986 0.865 1.207 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.669 2.892 2.533 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.403 -0.562 0.962 1.00 0.12 C ATOM 0 H ILE A 18 12.227 0.508 -0.369 1.00 0.08 H new ATOM 0 HA ILE A 18 11.092 3.129 -0.076 1.00 0.08 H new ATOM 0 HB ILE A 18 11.888 1.176 2.103 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.239 0.885 2.000 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.507 1.254 0.308 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.205 2.445 3.413 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.520 3.500 2.841 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.942 3.520 2.019 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.529 -1.156 0.694 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.127 -0.595 0.148 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.855 -0.969 1.866 1.00 0.12 H new ATOM 261 N ASN A 19 13.158 4.363 0.769 1.00 0.13 N ATOM 262 CA ASN A 19 14.338 5.080 1.197 1.00 0.18 C ATOM 263 C ASN A 19 13.965 6.120 2.212 1.00 0.20 C ATOM 264 O ASN A 19 13.099 6.953 1.949 1.00 0.21 O ATOM 265 CB ASN A 19 15.020 5.733 -0.014 1.00 0.22 C ATOM 266 CG ASN A 19 15.930 6.890 0.360 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.398 8.105 0.290 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.096 6.701 0.692 1.00 0.29 N flip ATOM 0 H ASN A 19 12.399 4.959 0.437 1.00 0.13 H new ATOM 0 HA ASN A 19 15.036 4.380 1.656 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.602 4.979 -0.545 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.255 6.090 -0.704 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.467 5.752 0.733 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.694 7.493 0.927 1.00 0.29 H new ATOM 275 N GLU A 20 14.578 6.088 3.387 1.00 0.24 N ATOM 276 CA GLU A 20 14.499 7.264 4.194 1.00 0.28 C ATOM 277 C GLU A 20 15.882 7.899 4.215 1.00 0.34 C ATOM 278 O GLU A 20 16.683 7.674 5.119 1.00 0.40 O ATOM 279 CB GLU A 20 14.095 6.892 5.625 1.00 0.33 C ATOM 280 CG GLU A 20 12.901 5.965 5.710 1.00 0.33 C ATOM 281 CD GLU A 20 12.646 5.462 7.116 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.141 6.243 7.952 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.956 4.282 7.393 1.00 0.74 O ATOM 0 H GLU A 20 15.103 5.303 3.773 1.00 0.24 H new ATOM 0 HA GLU A 20 13.757 7.952 3.789 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.944 6.420 6.119 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.872 7.805 6.177 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.015 6.488 5.350 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.060 5.114 5.048 1.00 0.33 H new ATOM 290 N ASP A 21 16.146 8.679 3.189 1.00 0.35 N ATOM 291 CA ASP A 21 17.126 9.751 3.184 1.00 0.41 C ATOM 292 C ASP A 21 16.374 11.018 2.843 1.00 0.41 C ATOM 293 O ASP A 21 16.861 12.141 2.953 1.00 0.46 O ATOM 294 CB ASP A 21 18.231 9.456 2.166 1.00 0.44 C ATOM 295 CG ASP A 21 19.169 10.627 1.947 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.022 10.878 2.823 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.056 11.304 0.905 1.00 0.53 O ATOM 0 H ASP A 21 15.664 8.581 2.295 1.00 0.35 H new ATOM 0 HA ASP A 21 17.617 9.852 4.152 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.808 8.595 2.505 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.776 9.181 1.215 1.00 0.44 H new ATOM 302 N VAL A 22 15.136 10.770 2.451 1.00 0.35 N ATOM 303 CA VAL A 22 14.352 11.671 1.631 1.00 0.33 C ATOM 304 C VAL A 22 13.333 12.452 2.466 1.00 0.31 C ATOM 305 O VAL A 22 13.182 12.210 3.668 1.00 0.30 O ATOM 306 CB VAL A 22 13.616 10.784 0.582 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.646 9.849 1.277 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.892 11.572 -0.495 1.00 0.32 C ATOM 0 H VAL A 22 14.638 9.916 2.701 1.00 0.35 H new ATOM 0 HA VAL A 22 14.998 12.409 1.156 1.00 0.33 H new ATOM 0 HB VAL A 22 14.394 10.215 0.073 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.138 9.234 0.534 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.192 9.206 1.968 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.910 10.433 1.830 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.406 10.883 -1.185 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.141 12.214 -0.034 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.609 12.186 -1.040 1.00 0.32 H new ATOM 318 N SER A 23 12.669 13.405 1.818 1.00 0.32 N ATOM 319 CA SER A 23 11.473 14.043 2.350 1.00 0.28 C ATOM 320 C SER A 23 10.482 12.931 2.671 1.00 0.18 C ATOM 321 O SER A 23 10.682 11.838 2.157 1.00 0.16 O ATOM 322 CB SER A 23 10.929 15.017 1.316 1.00 0.35 C ATOM 323 OG SER A 23 11.956 15.879 0.853 1.00 1.31 O ATOM 0 H SER A 23 12.949 13.757 0.903 1.00 0.32 H new ATOM 0 HA SER A 23 11.676 14.615 3.255 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.504 14.466 0.477 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.122 15.606 1.752 1.00 0.35 H new ATOM 0 HG SER A 23 11.589 16.497 0.187 1.00 1.31 H new ATOM 329 N PRO A 24 9.375 13.152 3.424 1.00 0.16 N ATOM 330 CA PRO A 24 8.783 12.087 4.253 1.00 0.16 C ATOM 331 C PRO A 24 8.791 10.756 3.529 1.00 0.15 C ATOM 332 O PRO A 24 8.279 10.645 2.413 1.00 0.22 O ATOM 333 CB PRO A 24 7.338 12.570 4.449 1.00 0.21 C ATOM 334 CG PRO A 24 7.176 13.699 3.489 1.00 0.19 C ATOM 335 CD PRO A 24 8.525 14.342 3.432 1.00 0.17 C ATOM 0 HA PRO A 24 9.327 11.925 5.184 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.624 11.772 4.245 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.166 12.896 5.475 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.865 13.343 2.507 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.416 14.402 3.829 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.657 14.954 2.540 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.717 14.985 4.291 1.00 0.17 H new ATOM 343 N ALA A 25 9.349 9.757 4.231 1.00 0.15 N ATOM 344 CA ALA A 25 9.927 8.556 3.619 1.00 0.14 C ATOM 345 C ALA A 25 9.216 8.112 2.372 1.00 0.14 C ATOM 346 O ALA A 25 7.992 8.028 2.322 1.00 0.18 O ATOM 347 CB ALA A 25 9.988 7.416 4.596 1.00 0.20 C ATOM 0 H ALA A 25 9.411 9.763 5.249 1.00 0.15 H new ATOM 0 HA ALA A 25 10.937 8.844 3.329 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.421 6.542 4.109 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.605 7.700 5.448 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.982 7.178 4.940 1.00 0.20 H new ATOM 353 N GLU A 26 10.010 7.764 1.391 1.00 0.14 N ATOM 354 CA GLU A 26 9.503 7.525 0.077 1.00 0.15 C ATOM 355 C GLU A 26 9.867 6.133 -0.404 1.00 0.11 C ATOM 356 O GLU A 26 10.975 5.644 -0.184 1.00 0.13 O ATOM 357 CB GLU A 26 9.986 8.590 -0.925 1.00 0.27 C ATOM 358 CG GLU A 26 9.275 9.925 -0.783 1.00 0.66 C ATOM 359 CD GLU A 26 9.598 10.877 -1.917 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.636 10.689 -2.586 1.00 1.26 O ATOM 361 OE2 GLU A 26 8.812 11.825 -2.139 1.00 1.14 O ATOM 0 H GLU A 26 11.018 7.641 1.486 1.00 0.14 H new ATOM 0 HA GLU A 26 8.417 7.595 0.134 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.057 8.742 -0.792 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.840 8.216 -1.938 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.198 9.758 -0.748 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.557 10.384 0.164 1.00 0.66 H new ATOM 368 N LEU A 27 8.909 5.511 -1.044 1.00 0.10 N ATOM 369 CA LEU A 27 9.101 4.262 -1.739 1.00 0.09 C ATOM 370 C LEU A 27 9.211 4.605 -3.198 1.00 0.09 C ATOM 371 O LEU A 27 8.540 5.510 -3.666 1.00 0.13 O ATOM 372 CB LEU A 27 7.888 3.349 -1.491 1.00 0.11 C ATOM 373 CG LEU A 27 7.713 2.127 -2.415 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.711 1.192 -1.798 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.215 2.511 -3.809 1.00 0.11 C ATOM 0 H LEU A 27 7.954 5.866 -1.098 1.00 0.10 H new ATOM 0 HA LEU A 27 9.992 3.736 -1.395 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.944 2.988 -0.464 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.988 3.959 -1.566 1.00 0.11 H new ATOM 0 HG LEU A 27 8.691 1.658 -2.524 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.579 0.323 -2.443 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.070 0.868 -0.821 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.757 1.706 -1.682 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.109 1.613 -4.418 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.249 3.009 -3.726 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.931 3.185 -4.278 1.00 0.11 H new ATOM 387 N THR A 28 10.027 3.901 -3.919 1.00 0.08 N ATOM 388 CA THR A 28 10.174 4.186 -5.316 1.00 0.09 C ATOM 389 C THR A 28 10.029 2.915 -6.121 1.00 0.08 C ATOM 390 O THR A 28 10.881 2.029 -6.064 1.00 0.10 O ATOM 391 CB THR A 28 11.524 4.855 -5.618 1.00 0.14 C ATOM 392 OG1 THR A 28 11.751 5.950 -4.715 1.00 0.21 O ATOM 393 CG2 THR A 28 11.538 5.366 -7.040 1.00 0.14 C ATOM 0 H THR A 28 10.598 3.131 -3.570 1.00 0.08 H new ATOM 0 HA THR A 28 9.387 4.885 -5.600 1.00 0.09 H new ATOM 0 HB THR A 28 12.315 4.116 -5.489 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.615 6.367 -4.917 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.498 5.839 -7.247 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.388 4.533 -7.727 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.738 6.095 -7.173 1.00 0.14 H new ATOM 401 N TRP A 29 8.925 2.808 -6.838 1.00 0.08 N ATOM 402 CA TRP A 29 8.724 1.674 -7.712 1.00 0.08 C ATOM 403 C TRP A 29 9.351 1.979 -9.053 1.00 0.08 C ATOM 404 O TRP A 29 8.841 2.767 -9.837 1.00 0.12 O ATOM 405 CB TRP A 29 7.242 1.321 -7.875 1.00 0.11 C ATOM 406 CG TRP A 29 7.020 0.113 -8.741 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.065 -1.200 -8.359 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.727 0.107 -10.142 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.826 -2.016 -9.438 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.615 -1.237 -10.544 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.551 1.111 -11.096 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.334 -1.599 -11.857 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.272 0.750 -12.396 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.167 -0.593 -12.767 1.00 0.24 C ATOM 0 H TRP A 29 8.163 3.486 -6.831 1.00 0.08 H new ATOM 0 HA TRP A 29 9.201 0.802 -7.263 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.806 1.142 -6.892 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.716 2.173 -8.307 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.260 -1.545 -7.354 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.809 -3.036 -9.418 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.632 2.152 -10.820 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.251 -2.636 -12.147 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.132 1.519 -13.142 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.949 -0.842 -13.795 1.00 0.24 H new ATOM 425 N ARG A 30 10.472 1.358 -9.287 1.00 0.10 N ATOM 426 CA ARG A 30 11.228 1.548 -10.496 1.00 0.12 C ATOM 427 C ARG A 30 11.212 0.255 -11.289 1.00 0.13 C ATOM 428 O ARG A 30 11.749 -0.749 -10.842 1.00 0.15 O ATOM 429 CB ARG A 30 12.654 1.966 -10.130 1.00 0.15 C ATOM 430 CG ARG A 30 13.599 2.049 -11.311 1.00 0.21 C ATOM 431 CD ARG A 30 14.476 0.813 -11.395 1.00 0.32 C ATOM 432 NE ARG A 30 15.365 0.842 -12.556 1.00 0.33 N ATOM 433 CZ ARG A 30 15.975 -0.229 -13.060 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.754 -1.435 -12.545 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.800 -0.094 -14.087 1.00 0.51 N ATOM 0 H ARG A 30 10.894 0.696 -8.636 1.00 0.10 H new ATOM 0 HA ARG A 30 10.791 2.334 -11.111 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.621 2.937 -9.637 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.055 1.255 -9.407 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.026 2.156 -12.232 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.224 2.937 -11.219 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.072 0.730 -10.486 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.845 -0.075 -11.445 1.00 0.32 H new ATOM 0 HE ARG A 30 15.528 1.741 -13.009 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.114 -1.544 -11.759 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.225 -2.251 -12.936 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.967 0.828 -14.490 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.269 -0.912 -14.475 1.00 0.51 H new ATOM 449 N SER A 31 10.593 0.286 -12.457 1.00 0.16 N ATOM 450 CA SER A 31 10.402 -0.909 -13.262 1.00 0.18 C ATOM 451 C SER A 31 11.729 -1.593 -13.559 1.00 0.20 C ATOM 452 O SER A 31 12.770 -0.947 -13.664 1.00 0.24 O ATOM 453 CB SER A 31 9.702 -0.541 -14.565 1.00 0.28 C ATOM 454 OG SER A 31 10.399 0.496 -15.232 1.00 0.75 O ATOM 0 H SER A 31 10.210 1.135 -12.872 1.00 0.16 H new ATOM 0 HA SER A 31 9.784 -1.607 -12.698 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.639 -1.417 -15.210 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.680 -0.224 -14.358 1.00 0.28 H new ATOM 0 HG SER A 31 10.282 1.337 -14.742 1.00 0.75 H new ATOM 460 N THR A 32 11.665 -2.913 -13.673 1.00 0.20 N ATOM 461 CA THR A 32 12.837 -3.740 -13.942 1.00 0.26 C ATOM 462 C THR A 32 13.556 -3.292 -15.223 1.00 0.30 C ATOM 463 O THR A 32 14.773 -3.438 -15.349 1.00 0.38 O ATOM 464 CB THR A 32 12.430 -5.222 -14.072 1.00 0.31 C ATOM 465 OG1 THR A 32 11.631 -5.606 -12.943 1.00 0.31 O ATOM 466 CG2 THR A 32 13.655 -6.123 -14.153 1.00 0.39 C ATOM 0 H THR A 32 10.798 -3.443 -13.582 1.00 0.20 H new ATOM 0 HA THR A 32 13.522 -3.623 -13.102 1.00 0.26 H new ATOM 0 HB THR A 32 11.855 -5.336 -14.991 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.373 -6.547 -13.030 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.337 -7.162 -14.244 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.252 -5.848 -15.023 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.254 -6.005 -13.250 1.00 0.39 H new ATOM 474 N ASP A 33 12.794 -2.747 -16.173 1.00 0.32 N ATOM 475 CA ASP A 33 13.367 -2.240 -17.419 1.00 0.39 C ATOM 476 C ASP A 33 13.967 -0.854 -17.213 1.00 0.37 C ATOM 477 O ASP A 33 14.927 -0.472 -17.883 1.00 0.44 O ATOM 478 CB ASP A 33 12.301 -2.184 -18.519 1.00 0.52 C ATOM 479 CG ASP A 33 12.847 -1.664 -19.838 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.461 -2.454 -20.586 1.00 2.07 O ATOM 481 OD2 ASP A 33 12.655 -0.467 -20.140 1.00 2.33 O ATOM 0 H ASP A 33 11.781 -2.646 -16.103 1.00 0.32 H new ATOM 0 HA ASP A 33 14.158 -2.923 -17.727 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.887 -3.181 -18.669 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.481 -1.545 -18.192 1.00 0.52 H new ATOM 486 N GLY A 34 13.413 -0.117 -16.261 1.00 0.36 N ATOM 487 CA GLY A 34 13.908 1.210 -15.964 1.00 0.37 C ATOM 488 C GLY A 34 13.062 2.301 -16.588 1.00 0.42 C ATOM 489 O GLY A 34 13.416 3.477 -16.524 1.00 0.55 O ATOM 0 H GLY A 34 12.625 -0.417 -15.687 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.935 1.350 -14.883 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.933 1.300 -16.323 1.00 0.37 H new ATOM 493 N ASP A 35 11.941 1.915 -17.185 1.00 0.45 N ATOM 494 CA ASP A 35 11.071 2.871 -17.860 1.00 0.55 C ATOM 495 C ASP A 35 10.153 3.574 -16.876 1.00 0.46 C ATOM 496 O ASP A 35 10.308 4.765 -16.608 1.00 0.74 O ATOM 497 CB ASP A 35 10.245 2.191 -18.946 1.00 0.73 C ATOM 498 CG ASP A 35 9.304 3.159 -19.638 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.783 4.004 -20.421 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.081 3.091 -19.393 1.00 0.92 O ATOM 0 H ASP A 35 11.613 0.950 -17.216 1.00 0.45 H new ATOM 0 HA ASP A 35 11.714 3.618 -18.326 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.913 1.746 -19.683 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.668 1.377 -18.506 1.00 0.73 H new ATOM 505 N LYS A 36 9.202 2.834 -16.332 1.00 0.34 N ATOM 506 CA LYS A 36 8.249 3.402 -15.392 1.00 0.34 C ATOM 507 C LYS A 36 8.819 3.463 -13.991 1.00 0.27 C ATOM 508 O LYS A 36 9.474 2.531 -13.522 1.00 0.34 O ATOM 509 CB LYS A 36 6.942 2.618 -15.392 1.00 0.55 C ATOM 510 CG LYS A 36 6.023 3.018 -16.519 1.00 0.92 C ATOM 511 CD LYS A 36 4.983 1.946 -16.801 1.00 0.90 C ATOM 512 CE LYS A 36 4.026 1.760 -15.632 1.00 1.25 C ATOM 513 NZ LYS A 36 3.302 3.014 -15.287 1.00 2.03 N ATOM 0 H LYS A 36 9.069 1.841 -16.524 1.00 0.34 H new ATOM 0 HA LYS A 36 8.044 4.421 -15.721 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.162 1.553 -15.469 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.432 2.771 -14.441 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.523 3.953 -16.267 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.609 3.203 -17.419 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.418 2.215 -17.693 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.484 1.002 -17.014 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.303 0.982 -15.878 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.583 1.414 -14.761 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.514 2.794 -14.645 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.955 3.675 -14.820 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.930 3.450 -16.155 1.00 2.03 H new ATOM 527 N VAL A 37 8.560 4.581 -13.347 1.00 0.22 N ATOM 528 CA VAL A 37 9.001 4.832 -11.979 1.00 0.21 C ATOM 529 C VAL A 37 7.899 5.559 -11.214 1.00 0.22 C ATOM 530 O VAL A 37 7.473 6.646 -11.608 1.00 0.32 O ATOM 531 CB VAL A 37 10.294 5.685 -11.934 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.683 5.997 -10.497 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.440 4.981 -12.647 1.00 0.55 C ATOM 0 H VAL A 37 8.033 5.352 -13.756 1.00 0.22 H new ATOM 0 HA VAL A 37 9.216 3.867 -11.519 1.00 0.21 H new ATOM 0 HB VAL A 37 10.092 6.622 -12.453 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.593 6.597 -10.488 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.878 6.552 -10.015 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.857 5.066 -9.957 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.334 5.602 -12.600 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.637 4.024 -12.163 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.171 4.812 -13.690 1.00 0.55 H new ATOM 543 N HIS A 38 7.428 4.950 -10.141 1.00 0.17 N ATOM 544 CA HIS A 38 6.361 5.523 -9.344 1.00 0.19 C ATOM 545 C HIS A 38 6.782 5.621 -7.883 1.00 0.17 C ATOM 546 O HIS A 38 6.968 4.607 -7.215 1.00 0.17 O ATOM 547 CB HIS A 38 5.115 4.658 -9.458 1.00 0.25 C ATOM 548 CG HIS A 38 3.859 5.366 -9.054 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.853 5.676 -9.942 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.453 5.836 -7.853 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.888 6.310 -9.305 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.224 6.421 -8.034 1.00 0.69 N ATOM 0 H HIS A 38 7.771 4.052 -9.800 1.00 0.17 H new ATOM 0 HA HIS A 38 6.146 6.525 -9.716 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.014 4.314 -10.487 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.239 3.771 -8.836 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.996 5.764 -6.922 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.975 6.677 -9.750 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.664 6.867 -7.307 1.00 0.69 H new ATOM 561 N THR A 39 6.913 6.835 -7.382 1.00 0.18 N ATOM 562 CA THR A 39 7.360 7.041 -6.015 1.00 0.17 C ATOM 563 C THR A 39 6.165 7.254 -5.064 1.00 0.19 C ATOM 564 O THR A 39 5.201 7.933 -5.418 1.00 0.30 O ATOM 565 CB THR A 39 8.303 8.256 -5.937 1.00 0.22 C ATOM 566 OG1 THR A 39 9.325 8.147 -6.941 1.00 0.23 O ATOM 567 CG2 THR A 39 8.944 8.357 -4.563 1.00 0.23 C ATOM 0 H THR A 39 6.717 7.692 -7.899 1.00 0.18 H new ATOM 0 HA THR A 39 7.897 6.145 -5.703 1.00 0.17 H new ATOM 0 HB THR A 39 7.715 9.157 -6.112 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.920 8.924 -6.887 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.606 9.223 -4.533 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.167 8.467 -3.806 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.520 7.453 -4.363 1.00 0.23 H new ATOM 575 N VAL A 40 6.223 6.648 -3.877 1.00 0.13 N ATOM 576 CA VAL A 40 5.179 6.795 -2.862 1.00 0.18 C ATOM 577 C VAL A 40 5.691 7.546 -1.625 1.00 0.11 C ATOM 578 O VAL A 40 6.733 7.195 -1.077 1.00 0.11 O ATOM 579 CB VAL A 40 4.674 5.407 -2.413 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.864 5.509 -1.138 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.848 4.751 -3.496 1.00 0.66 C ATOM 0 H VAL A 40 6.993 6.043 -3.593 1.00 0.13 H new ATOM 0 HA VAL A 40 4.370 7.368 -3.315 1.00 0.18 H new ATOM 0 HB VAL A 40 5.551 4.788 -2.221 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.521 4.517 -0.845 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.484 5.928 -0.345 1.00 0.47 H new ATOM 0 HG13 VAL A 40 3.003 6.156 -1.305 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.506 3.775 -3.152 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.986 5.377 -3.726 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.456 4.627 -4.392 1.00 0.66 H new ATOM 591 N VAL A 41 4.954 8.571 -1.187 1.00 0.10 N ATOM 592 CA VAL A 41 5.263 9.254 0.061 1.00 0.10 C ATOM 593 C VAL A 41 4.517 8.590 1.210 1.00 0.08 C ATOM 594 O VAL A 41 3.302 8.697 1.326 1.00 0.09 O ATOM 595 CB VAL A 41 4.900 10.757 0.020 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.313 11.452 1.316 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.546 11.428 -1.179 1.00 0.18 C ATOM 0 H VAL A 41 4.142 8.941 -1.681 1.00 0.10 H new ATOM 0 HA VAL A 41 6.340 9.178 0.209 1.00 0.10 H new ATOM 0 HB VAL A 41 3.818 10.844 -0.079 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.047 12.508 1.263 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.797 10.990 2.157 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.390 11.355 1.454 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.280 12.485 -1.192 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.629 11.328 -1.112 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.193 10.954 -2.095 1.00 0.18 H new ATOM 607 N LEU A 42 5.265 7.904 2.043 1.00 0.08 N ATOM 608 CA LEU A 42 4.734 7.195 3.210 1.00 0.09 C ATOM 609 C LEU A 42 3.928 8.106 4.135 1.00 0.10 C ATOM 610 O LEU A 42 3.046 7.639 4.851 1.00 0.12 O ATOM 611 CB LEU A 42 5.875 6.565 4.006 1.00 0.10 C ATOM 612 CG LEU A 42 6.441 5.248 3.463 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.545 4.104 3.884 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.596 5.263 1.947 1.00 0.10 C ATOM 0 H LEU A 42 6.276 7.815 1.937 1.00 0.08 H new ATOM 0 HA LEU A 42 4.063 6.425 2.829 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.689 7.287 4.066 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.526 6.393 5.024 1.00 0.10 H new ATOM 0 HG LEU A 42 7.438 5.117 3.883 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.946 3.167 3.499 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.499 4.059 4.972 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.543 4.261 3.485 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.000 4.307 1.613 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.623 5.427 1.483 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.275 6.065 1.659 1.00 0.10 H new ATOM 626 N SER A 43 4.233 9.397 4.137 1.00 0.12 N ATOM 627 CA SER A 43 3.517 10.329 4.996 1.00 0.15 C ATOM 628 C SER A 43 2.137 10.635 4.430 1.00 0.14 C ATOM 629 O SER A 43 1.180 10.816 5.181 1.00 0.17 O ATOM 630 CB SER A 43 4.306 11.618 5.182 1.00 0.20 C ATOM 631 OG SER A 43 3.653 12.502 6.078 1.00 1.06 O ATOM 0 H SER A 43 4.962 9.818 3.561 1.00 0.12 H new ATOM 0 HA SER A 43 3.397 9.856 5.971 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.302 11.385 5.560 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.438 12.108 4.217 1.00 0.20 H new ATOM 0 HG SER A 43 3.998 12.363 6.985 1.00 1.06 H new ATOM 637 N THR A 44 2.029 10.689 3.103 1.00 0.13 N ATOM 638 CA THR A 44 0.737 10.886 2.466 1.00 0.14 C ATOM 639 C THR A 44 -0.041 9.580 2.496 1.00 0.13 C ATOM 640 O THR A 44 -1.252 9.548 2.296 1.00 0.18 O ATOM 641 CB THR A 44 0.870 11.391 1.013 1.00 0.16 C ATOM 642 OG1 THR A 44 1.593 10.449 0.216 1.00 0.17 O ATOM 643 CG2 THR A 44 1.585 12.732 0.969 1.00 0.20 C ATOM 0 H THR A 44 2.814 10.600 2.458 1.00 0.13 H new ATOM 0 HA THR A 44 0.203 11.656 3.023 1.00 0.14 H new ATOM 0 HB THR A 44 -0.137 11.508 0.612 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.089 9.838 0.801 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.667 13.067 -0.065 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.019 13.465 1.544 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.582 12.627 1.396 1.00 0.20 H new ATOM 651 N ILE A 45 0.686 8.501 2.751 1.00 0.11 N ATOM 652 CA ILE A 45 0.105 7.198 2.973 1.00 0.12 C ATOM 653 C ILE A 45 -0.561 7.123 4.347 1.00 0.16 C ATOM 654 O ILE A 45 0.073 7.367 5.374 1.00 0.23 O ATOM 655 CB ILE A 45 1.179 6.105 2.871 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.761 6.050 1.454 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.610 4.762 3.271 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.749 5.713 0.364 1.00 0.10 C ATOM 0 H ILE A 45 1.704 8.513 2.809 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.650 7.037 2.204 1.00 0.12 H new ATOM 0 HB ILE A 45 1.987 6.351 3.560 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.215 7.014 1.224 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.559 5.308 1.432 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.386 4.000 3.192 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.252 4.810 4.299 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.218 4.506 2.610 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.249 5.696 -0.604 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.312 4.735 0.564 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.038 6.467 0.353 1.00 0.10 H new ATOM 670 N ASP A 46 -1.853 6.826 4.356 1.00 0.16 N ATOM 671 CA ASP A 46 -2.581 6.626 5.599 1.00 0.22 C ATOM 672 C ASP A 46 -2.312 5.243 6.182 1.00 0.22 C ATOM 673 O ASP A 46 -2.018 5.111 7.370 1.00 0.28 O ATOM 674 CB ASP A 46 -4.083 6.803 5.393 1.00 0.28 C ATOM 675 CG ASP A 46 -4.800 7.017 6.710 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.426 7.964 7.440 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.722 6.242 7.030 1.00 0.61 O ATOM 0 H ASP A 46 -2.419 6.718 3.514 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.226 7.381 6.301 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.264 7.654 4.736 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.490 5.923 4.894 1.00 0.28 H new ATOM 682 N LYS A 47 -2.415 4.215 5.345 1.00 0.21 N ATOM 683 CA LYS A 47 -2.229 2.836 5.793 1.00 0.27 C ATOM 684 C LYS A 47 -1.390 2.068 4.788 1.00 0.18 C ATOM 685 O LYS A 47 -1.395 2.377 3.605 1.00 0.20 O ATOM 686 CB LYS A 47 -3.572 2.098 5.934 1.00 0.41 C ATOM 687 CG LYS A 47 -4.667 2.884 6.640 1.00 1.07 C ATOM 688 CD LYS A 47 -4.465 2.898 8.139 1.00 1.01 C ATOM 689 CE LYS A 47 -5.641 3.538 8.855 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.496 3.460 10.331 1.00 1.95 N ATOM 0 H LYS A 47 -2.626 4.310 4.352 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.734 2.883 6.763 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.925 1.825 4.940 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.403 1.169 6.479 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.681 3.907 6.265 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.638 2.446 6.407 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -4.331 1.878 8.498 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.552 3.443 8.379 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.726 4.582 8.553 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -6.564 3.042 8.554 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -6.318 3.907 10.785 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -5.440 2.463 10.622 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -4.629 3.955 10.621 1.00 1.95 H new ATOM 704 N LEU A 48 -0.673 1.069 5.256 1.00 0.14 N ATOM 705 CA LEU A 48 -0.072 0.100 4.366 1.00 0.10 C ATOM 706 C LEU A 48 -0.683 -1.263 4.630 1.00 0.11 C ATOM 707 O LEU A 48 -0.995 -1.609 5.763 1.00 0.14 O ATOM 708 CB LEU A 48 1.439 0.021 4.541 1.00 0.10 C ATOM 709 CG LEU A 48 2.061 -1.265 4.016 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.056 -1.294 2.507 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.467 -1.414 4.515 1.00 0.13 C ATOM 0 H LEU A 48 -0.492 0.907 6.247 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.269 0.418 3.342 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.897 0.868 4.031 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.677 0.120 5.600 1.00 0.10 H new ATOM 0 HG LEU A 48 1.460 -2.096 4.384 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.506 -2.224 2.159 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.030 -1.230 2.145 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.628 -0.449 2.125 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.894 -2.339 4.129 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.065 -0.569 4.175 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.465 -1.442 5.605 1.00 0.13 H new ATOM 723 N GLN A 49 -0.830 -2.024 3.579 1.00 0.10 N ATOM 724 CA GLN A 49 -1.408 -3.352 3.646 1.00 0.11 C ATOM 725 C GLN A 49 -0.396 -4.368 3.148 1.00 0.10 C ATOM 726 O GLN A 49 0.534 -4.022 2.420 1.00 0.12 O ATOM 727 CB GLN A 49 -2.641 -3.450 2.756 1.00 0.15 C ATOM 728 CG GLN A 49 -3.679 -2.364 2.976 1.00 0.27 C ATOM 729 CD GLN A 49 -4.558 -2.606 4.188 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.873 -3.865 4.463 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -4.989 -1.661 4.842 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.551 -1.742 2.639 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.685 -3.549 4.682 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.322 -3.421 1.714 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.112 -4.420 2.918 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.172 -1.406 3.090 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.308 -2.289 2.089 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.722 -0.707 4.597 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.614 -1.829 5.630 1.00 1.03 H new ATOM 740 N ALA A 50 -0.595 -5.609 3.526 1.00 0.11 N ATOM 741 CA ALA A 50 0.209 -6.713 3.035 1.00 0.13 C ATOM 742 C ALA A 50 -0.545 -8.011 3.292 1.00 0.18 C ATOM 743 O ALA A 50 -1.366 -8.072 4.205 1.00 0.25 O ATOM 744 CB ALA A 50 1.577 -6.720 3.715 1.00 0.16 C ATOM 0 H ALA A 50 -1.322 -5.887 4.186 1.00 0.11 H new ATOM 0 HA ALA A 50 0.382 -6.605 1.964 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.168 -7.554 3.336 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.093 -5.784 3.503 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.447 -6.827 4.792 1.00 0.16 H new ATOM 750 N THR A 51 -0.303 -9.028 2.475 1.00 0.17 N ATOM 751 CA THR A 51 -0.997 -10.308 2.616 1.00 0.22 C ATOM 752 C THR A 51 -0.829 -10.881 4.018 1.00 0.33 C ATOM 753 O THR A 51 0.287 -11.032 4.523 1.00 0.37 O ATOM 754 CB THR A 51 -0.483 -11.335 1.599 1.00 0.21 C ATOM 755 OG1 THR A 51 0.936 -11.424 1.664 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.899 -10.974 0.189 1.00 0.20 C ATOM 0 H THR A 51 0.368 -8.995 1.707 1.00 0.17 H new ATOM 0 HA THR A 51 -2.053 -10.112 2.431 1.00 0.22 H new ATOM 0 HB THR A 51 -0.924 -12.299 1.853 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.309 -10.544 1.879 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.518 -11.723 -0.506 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.987 -10.942 0.127 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.492 -9.997 -0.072 1.00 0.20 H new ATOM 764 N PRO A 52 -1.960 -11.180 4.656 1.00 0.41 N ATOM 765 CA PRO A 52 -2.013 -11.799 5.979 1.00 0.54 C ATOM 766 C PRO A 52 -1.489 -13.228 5.950 1.00 0.61 C ATOM 767 O PRO A 52 -1.290 -13.801 4.880 1.00 0.58 O ATOM 768 CB PRO A 52 -3.506 -11.785 6.314 1.00 0.64 C ATOM 769 CG PRO A 52 -4.184 -11.740 5.001 1.00 0.60 C ATOM 770 CD PRO A 52 -3.301 -10.925 4.118 1.00 0.45 C ATOM 0 HA PRO A 52 -1.397 -11.275 6.709 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.794 -12.672 6.878 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.767 -10.920 6.924 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.323 -12.743 4.598 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -5.174 -11.291 5.087 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.381 -11.232 3.075 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.557 -9.866 4.160 1.00 0.45 H new ATOM 778 N ALA A 53 -1.240 -13.789 7.121 1.00 0.73 N ATOM 779 CA ALA A 53 -0.788 -15.168 7.229 1.00 0.86 C ATOM 780 C ALA A 53 -1.861 -16.117 6.716 1.00 0.91 C ATOM 781 O ALA A 53 -1.574 -17.249 6.329 1.00 1.00 O ATOM 782 CB ALA A 53 -0.432 -15.493 8.668 1.00 1.02 C ATOM 0 H ALA A 53 -1.343 -13.309 8.015 1.00 0.73 H new ATOM 0 HA ALA A 53 0.104 -15.293 6.616 1.00 0.86 H new ATOM 0 HB1 ALA A 53 -0.095 -16.528 8.735 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.365 -14.830 9.004 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -1.309 -15.355 9.300 1.00 1.02 H new ATOM 788 N SER A 54 -3.099 -15.639 6.723 1.00 0.89 N ATOM 789 CA SER A 54 -4.220 -16.385 6.183 1.00 0.98 C ATOM 790 C SER A 54 -4.190 -16.379 4.662 1.00 0.88 C ATOM 791 O SER A 54 -4.684 -17.296 4.006 1.00 0.97 O ATOM 792 CB SER A 54 -5.507 -15.744 6.670 1.00 1.07 C ATOM 793 OG SER A 54 -5.463 -14.335 6.509 1.00 1.58 O ATOM 0 H SER A 54 -3.350 -14.726 7.103 1.00 0.89 H new ATOM 0 HA SER A 54 -4.159 -17.420 6.521 1.00 0.98 H new ATOM 0 HB2 SER A 54 -6.353 -16.151 6.116 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.666 -15.989 7.720 1.00 1.07 H new ATOM 0 HG SER A 54 -6.303 -13.943 6.828 1.00 1.58 H new ATOM 799 N SER A 55 -3.604 -15.332 4.116 1.00 0.71 N ATOM 800 CA SER A 55 -3.396 -15.224 2.680 1.00 0.61 C ATOM 801 C SER A 55 -2.332 -16.224 2.246 1.00 0.63 C ATOM 802 O SER A 55 -1.337 -16.429 2.946 1.00 0.71 O ATOM 803 CB SER A 55 -2.948 -13.806 2.294 1.00 0.55 C ATOM 804 OG SER A 55 -2.901 -13.651 0.885 1.00 0.54 O ATOM 0 H SER A 55 -3.259 -14.534 4.650 1.00 0.71 H new ATOM 0 HA SER A 55 -4.339 -15.438 2.178 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.635 -13.075 2.721 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.964 -13.604 2.718 1.00 0.55 H new ATOM 0 HG SER A 55 -3.246 -12.767 0.642 1.00 0.54 H new ATOM 810 N GLU A 56 -2.538 -16.842 1.093 1.00 0.61 N ATOM 811 CA GLU A 56 -1.597 -17.815 0.582 1.00 0.69 C ATOM 812 C GLU A 56 -0.588 -17.104 -0.294 1.00 0.60 C ATOM 813 O GLU A 56 0.451 -17.652 -0.655 1.00 0.70 O ATOM 814 CB GLU A 56 -2.312 -18.892 -0.226 1.00 0.80 C ATOM 815 CG GLU A 56 -3.669 -19.283 0.330 1.00 1.19 C ATOM 816 CD GLU A 56 -4.795 -18.452 -0.255 1.00 2.20 C ATOM 817 OE1 GLU A 56 -5.041 -17.336 0.248 1.00 2.66 O ATOM 818 OE2 GLU A 56 -5.462 -18.922 -1.204 1.00 2.89 O ATOM 0 H GLU A 56 -3.350 -16.684 0.496 1.00 0.61 H new ATOM 0 HA GLU A 56 -1.095 -18.298 1.420 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.438 -18.540 -1.250 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.680 -19.779 -0.270 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.854 -20.337 0.123 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.661 -19.168 1.414 1.00 1.19 H new ATOM 825 N LYS A 57 -0.923 -15.867 -0.635 1.00 0.46 N ATOM 826 CA LYS A 57 -0.128 -15.079 -1.536 1.00 0.39 C ATOM 827 C LYS A 57 0.765 -14.107 -0.781 1.00 0.32 C ATOM 828 O LYS A 57 0.789 -14.106 0.451 1.00 0.39 O ATOM 829 CB LYS A 57 -1.030 -14.326 -2.493 1.00 0.41 C ATOM 830 CG LYS A 57 -1.876 -15.227 -3.361 1.00 0.56 C ATOM 831 CD LYS A 57 -2.998 -15.874 -2.604 1.00 0.89 C ATOM 832 CE LYS A 57 -3.910 -14.827 -2.004 1.00 1.84 C ATOM 833 NZ LYS A 57 -5.212 -15.392 -1.554 1.00 2.59 N ATOM 0 H LYS A 57 -1.756 -15.391 -0.289 1.00 0.46 H new ATOM 0 HA LYS A 57 0.516 -15.753 -2.101 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.684 -13.668 -1.921 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.418 -13.690 -3.132 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.288 -14.647 -4.187 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -1.245 -16.001 -3.798 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -3.568 -16.521 -3.271 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.593 -16.507 -1.814 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -3.410 -14.357 -1.157 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -4.093 -14.045 -2.740 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -5.867 -14.617 -1.326 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -5.618 -15.976 -2.313 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -5.062 -15.979 -0.708 1.00 2.59 H new ATOM 847 N MET A 58 1.494 -13.284 -1.525 1.00 0.27 N ATOM 848 CA MET A 58 2.442 -12.341 -0.943 1.00 0.25 C ATOM 849 C MET A 58 2.371 -11.015 -1.689 1.00 0.23 C ATOM 850 O MET A 58 2.833 -10.920 -2.822 1.00 0.29 O ATOM 851 CB MET A 58 3.862 -12.893 -1.080 1.00 0.29 C ATOM 852 CG MET A 58 3.924 -14.331 -1.588 1.00 0.42 C ATOM 853 SD MET A 58 3.647 -15.559 -0.294 1.00 1.78 S ATOM 854 CE MET A 58 3.664 -17.065 -1.263 1.00 1.53 C ATOM 0 H MET A 58 1.446 -13.251 -2.543 1.00 0.27 H new ATOM 0 HA MET A 58 2.193 -12.194 0.108 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.425 -12.254 -1.760 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.356 -12.840 -0.110 1.00 0.29 H new ATOM 0 HG2 MET A 58 3.178 -14.465 -2.371 1.00 0.42 H new ATOM 0 HG3 MET A 58 4.899 -14.506 -2.043 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.505 -17.921 -0.607 1.00 1.53 H new ATOM 0 HE2 MET A 58 2.870 -17.027 -2.009 1.00 1.53 H new ATOM 0 HE3 MET A 58 4.627 -17.165 -1.763 1.00 1.53 H new ATOM 864 N MET A 59 1.833 -9.988 -1.051 1.00 0.20 N ATOM 865 CA MET A 59 1.634 -8.702 -1.715 1.00 0.21 C ATOM 866 C MET A 59 1.580 -7.551 -0.713 1.00 0.18 C ATOM 867 O MET A 59 1.462 -7.767 0.493 1.00 0.26 O ATOM 868 CB MET A 59 0.341 -8.707 -2.538 1.00 0.27 C ATOM 869 CG MET A 59 0.425 -9.416 -3.882 1.00 0.64 C ATOM 870 SD MET A 59 -0.075 -11.147 -3.824 1.00 1.30 S ATOM 871 CE MET A 59 -1.731 -10.999 -3.170 1.00 0.62 C ATOM 0 H MET A 59 1.526 -10.015 -0.079 1.00 0.20 H new ATOM 0 HA MET A 59 2.488 -8.553 -2.375 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.444 -9.178 -1.947 1.00 0.27 H new ATOM 0 HB3 MET A 59 0.035 -7.675 -2.709 1.00 0.27 H new ATOM 0 HG2 MET A 59 -0.204 -8.890 -4.600 1.00 0.64 H new ATOM 0 HG3 MET A 59 1.449 -9.355 -4.251 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.336 -11.835 -3.520 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.694 -11.008 -2.081 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.174 -10.063 -3.510 1.00 0.62 H new ATOM 881 N LEU A 60 1.659 -6.333 -1.241 1.00 0.12 N ATOM 882 CA LEU A 60 1.547 -5.109 -0.446 1.00 0.10 C ATOM 883 C LEU A 60 0.537 -4.131 -1.061 1.00 0.10 C ATOM 884 O LEU A 60 0.198 -4.238 -2.241 1.00 0.13 O ATOM 885 CB LEU A 60 2.892 -4.404 -0.363 1.00 0.13 C ATOM 886 CG LEU A 60 3.607 -4.541 0.969 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.429 -5.806 1.032 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.485 -3.345 1.210 1.00 0.14 C ATOM 0 H LEU A 60 1.803 -6.164 -2.237 1.00 0.12 H new ATOM 0 HA LEU A 60 1.209 -5.405 0.547 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.539 -4.795 -1.148 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.743 -3.344 -0.571 1.00 0.13 H new ATOM 0 HG LEU A 60 2.848 -4.597 1.749 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.926 -5.869 2.000 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.778 -6.670 0.901 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.178 -5.793 0.240 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.993 -3.454 2.168 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.225 -3.270 0.413 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.874 -2.442 1.224 1.00 0.14 H new ATOM 900 N ARG A 61 0.065 -3.172 -0.261 1.00 0.10 N ATOM 901 CA ARG A 61 -0.801 -2.099 -0.761 1.00 0.11 C ATOM 902 C ARG A 61 -0.682 -0.850 0.120 1.00 0.11 C ATOM 903 O ARG A 61 -1.083 -0.868 1.274 1.00 0.11 O ATOM 904 CB ARG A 61 -2.261 -2.553 -0.798 1.00 0.16 C ATOM 905 CG ARG A 61 -3.169 -1.678 -1.643 1.00 0.32 C ATOM 906 CD ARG A 61 -4.621 -1.786 -1.193 1.00 0.56 C ATOM 907 NE ARG A 61 -4.999 -3.152 -0.823 1.00 1.35 N ATOM 908 CZ ARG A 61 -5.978 -3.448 0.037 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.715 -2.482 0.570 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.228 -4.711 0.354 1.00 2.72 N ATOM 0 H ARG A 61 0.268 -3.116 0.737 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.476 -1.856 -1.773 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.302 -3.573 -1.180 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.647 -2.578 0.221 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.842 -0.640 -1.576 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -3.088 -1.971 -2.690 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.783 -1.125 -0.341 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.272 -1.438 -1.995 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.484 -3.924 -1.247 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.535 -1.509 0.324 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.461 -2.713 1.226 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -5.672 -5.460 -0.059 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -6.976 -4.934 1.011 1.00 2.72 H new ATOM 924 N LEU A 62 -0.155 0.232 -0.428 1.00 0.11 N ATOM 925 CA LEU A 62 0.010 1.478 0.322 1.00 0.11 C ATOM 926 C LEU A 62 -1.156 2.441 0.057 1.00 0.15 C ATOM 927 O LEU A 62 -1.292 2.979 -1.038 1.00 0.19 O ATOM 928 CB LEU A 62 1.359 2.121 -0.032 1.00 0.12 C ATOM 929 CG LEU A 62 2.527 1.637 0.835 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.868 1.923 0.187 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.484 2.294 2.195 1.00 0.86 C ATOM 0 H LEU A 62 0.169 0.278 -1.394 1.00 0.11 H new ATOM 0 HA LEU A 62 0.003 1.251 1.388 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.586 1.913 -1.078 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.271 3.203 0.066 1.00 0.12 H new ATOM 0 HG LEU A 62 2.419 0.558 0.942 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.669 1.564 0.834 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.923 1.414 -0.775 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.977 2.997 0.036 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.320 1.939 2.797 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.554 3.376 2.079 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.547 2.042 2.691 1.00 0.86 H new ATOM 943 N ILE A 63 -1.991 2.641 1.074 1.00 0.17 N ATOM 944 CA ILE A 63 -3.180 3.499 0.978 1.00 0.23 C ATOM 945 C ILE A 63 -2.821 4.931 1.340 1.00 0.21 C ATOM 946 O ILE A 63 -2.253 5.162 2.395 1.00 0.25 O ATOM 947 CB ILE A 63 -4.286 3.078 1.977 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.199 1.596 2.347 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.662 3.409 1.413 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.570 0.657 1.234 1.00 0.33 C ATOM 0 H ILE A 63 -1.866 2.214 1.992 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.538 3.406 -0.047 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.129 3.646 2.894 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.182 1.374 2.670 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.853 1.407 3.199 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.430 3.108 2.126 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.734 4.482 1.235 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.809 2.875 0.474 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.481 -0.372 1.581 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.597 0.848 0.924 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.901 0.813 0.388 1.00 0.33 H new ATOM 962 N GLY A 64 -3.171 5.889 0.503 1.00 0.27 N ATOM 963 CA GLY A 64 -2.918 7.275 0.841 1.00 0.30 C ATOM 964 C GLY A 64 -4.114 7.937 1.480 1.00 0.35 C ATOM 965 O GLY A 64 -5.247 7.531 1.238 1.00 0.48 O ATOM 0 H GLY A 64 -3.623 5.738 -0.399 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.068 7.331 1.521 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.642 7.822 -0.061 1.00 0.30 H new ATOM 969 N LYS A 65 -3.858 8.943 2.314 1.00 0.30 N ATOM 970 CA LYS A 65 -4.921 9.656 3.007 1.00 0.33 C ATOM 971 C LYS A 65 -5.896 10.264 2.011 1.00 0.38 C ATOM 972 O LYS A 65 -5.487 10.874 1.020 1.00 0.41 O ATOM 973 CB LYS A 65 -4.361 10.775 3.893 1.00 0.34 C ATOM 974 CG LYS A 65 -3.698 10.307 5.184 1.00 0.36 C ATOM 975 CD LYS A 65 -2.186 10.444 5.132 1.00 0.40 C ATOM 976 CE LYS A 65 -1.574 10.464 6.525 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.716 9.166 7.235 1.00 1.15 N ATOM 0 H LYS A 65 -2.919 9.281 2.525 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.437 8.930 3.635 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.634 11.345 3.315 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.172 11.457 4.146 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.086 10.888 6.021 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -3.961 9.266 5.369 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -1.765 9.616 4.562 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.922 11.361 4.605 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -0.517 10.717 6.449 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.048 11.249 7.114 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.553 9.307 8.252 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -2.675 8.792 7.086 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -1.019 8.489 6.864 1.00 1.15 H new ATOM 991 N VAL A 66 -7.178 10.099 2.276 1.00 0.42 N ATOM 992 CA VAL A 66 -8.203 10.670 1.420 1.00 0.51 C ATOM 993 C VAL A 66 -8.574 12.063 1.899 1.00 0.57 C ATOM 994 O VAL A 66 -8.403 12.401 3.071 1.00 0.61 O ATOM 995 CB VAL A 66 -9.462 9.781 1.366 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.125 9.678 2.731 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.451 10.281 0.321 1.00 0.69 C ATOM 0 H VAL A 66 -7.535 9.576 3.075 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.792 10.731 0.412 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.141 8.782 1.072 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.009 9.045 2.659 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.424 9.243 3.444 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.417 10.672 3.070 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.327 9.632 0.309 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.756 11.298 0.566 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -9.979 10.271 -0.661 1.00 0.69 H new ATOM 1007 N ASP A 67 -9.066 12.865 0.980 1.00 0.73 N ATOM 1008 CA ASP A 67 -9.424 14.232 1.262 1.00 0.89 C ATOM 1009 C ASP A 67 -10.855 14.319 1.790 1.00 0.98 C ATOM 1010 O ASP A 67 -11.802 14.566 1.045 1.00 1.33 O ATOM 1011 CB ASP A 67 -9.231 15.086 0.007 1.00 1.25 C ATOM 1012 CG ASP A 67 -9.812 14.469 -1.255 1.00 1.91 C ATOM 1013 OD1 ASP A 67 -9.307 13.420 -1.698 1.00 2.56 O ATOM 1014 OD2 ASP A 67 -10.802 15.018 -1.794 1.00 2.29 O ATOM 0 H ASP A 67 -9.228 12.583 0.013 1.00 0.73 H new ATOM 0 HA ASP A 67 -8.770 14.620 2.042 1.00 0.89 H new ATOM 0 HB2 ASP A 67 -9.692 16.060 0.168 1.00 1.25 H new ATOM 0 HB3 ASP A 67 -8.165 15.259 -0.142 1.00 1.25 H new ATOM 1019 N GLU A 68 -10.989 14.110 3.096 1.00 1.24 N ATOM 1020 CA GLU A 68 -12.288 14.100 3.758 1.00 1.65 C ATOM 1021 C GLU A 68 -12.952 15.472 3.732 1.00 1.54 C ATOM 1022 O GLU A 68 -14.149 15.583 3.469 1.00 1.96 O ATOM 1023 CB GLU A 68 -12.132 13.644 5.204 1.00 2.31 C ATOM 1024 CG GLU A 68 -11.844 12.163 5.362 1.00 2.77 C ATOM 1025 CD GLU A 68 -13.045 11.300 5.043 1.00 3.14 C ATOM 1026 OE1 GLU A 68 -14.161 11.642 5.476 1.00 3.79 O ATOM 1027 OE2 GLU A 68 -12.876 10.284 4.332 1.00 3.27 O ATOM 0 H GLU A 68 -10.202 13.943 3.723 1.00 1.24 H new ATOM 0 HA GLU A 68 -12.926 13.405 3.212 1.00 1.65 H new ATOM 0 HB2 GLU A 68 -11.324 14.211 5.667 1.00 2.31 H new ATOM 0 HB3 GLU A 68 -13.044 13.885 5.750 1.00 2.31 H new ATOM 0 HG2 GLU A 68 -11.018 11.885 4.708 1.00 2.77 H new ATOM 0 HG3 GLU A 68 -11.521 11.966 6.384 1.00 2.77 H new ATOM 1034 N SER A 69 -12.176 16.510 4.009 1.00 1.50 N ATOM 1035 CA SER A 69 -12.714 17.859 4.096 1.00 2.01 C ATOM 1036 C SER A 69 -12.987 18.445 2.713 1.00 2.42 C ATOM 1037 O SER A 69 -13.965 19.172 2.521 1.00 2.92 O ATOM 1038 CB SER A 69 -11.757 18.747 4.887 1.00 2.57 C ATOM 1039 OG SER A 69 -10.416 18.540 4.482 1.00 3.05 O ATOM 0 H SER A 69 -11.172 16.443 4.177 1.00 1.50 H new ATOM 0 HA SER A 69 -13.669 17.814 4.619 1.00 2.01 H new ATOM 0 HB2 SER A 69 -12.026 19.794 4.744 1.00 2.57 H new ATOM 0 HB3 SER A 69 -11.855 18.535 5.952 1.00 2.57 H new ATOM 0 HG SER A 69 -9.824 19.122 5.003 1.00 3.05 H new ATOM 1045 N LYS A 70 -12.142 18.106 1.746 1.00 2.48 N ATOM 1046 CA LYS A 70 -12.300 18.592 0.382 1.00 3.28 C ATOM 1047 C LYS A 70 -13.301 17.723 -0.360 1.00 3.00 C ATOM 1048 O LYS A 70 -12.995 17.182 -1.420 1.00 2.93 O ATOM 1049 CB LYS A 70 -10.971 18.585 -0.373 1.00 4.20 C ATOM 1050 CG LYS A 70 -9.914 19.548 0.152 1.00 4.31 C ATOM 1051 CD LYS A 70 -9.377 19.138 1.513 1.00 4.26 C ATOM 1052 CE LYS A 70 -8.227 20.029 1.954 1.00 4.89 C ATOM 1053 NZ LYS A 70 -8.622 21.459 2.017 1.00 5.48 N ATOM 0 H LYS A 70 -11.338 17.494 1.883 1.00 2.48 H new ATOM 0 HA LYS A 70 -12.660 19.619 0.434 1.00 3.28 H new ATOM 0 HB2 LYS A 70 -10.563 17.575 -0.346 1.00 4.20 H new ATOM 0 HB3 LYS A 70 -11.166 18.822 -1.419 1.00 4.20 H new ATOM 0 HG2 LYS A 70 -9.090 19.600 -0.559 1.00 4.31 H new ATOM 0 HG3 LYS A 70 -10.341 20.549 0.220 1.00 4.31 H new ATOM 0 HD2 LYS A 70 -10.178 19.186 2.250 1.00 4.26 H new ATOM 0 HD3 LYS A 70 -9.041 18.102 1.475 1.00 4.26 H new ATOM 0 HE2 LYS A 70 -7.874 19.707 2.934 1.00 4.89 H new ATOM 0 HE3 LYS A 70 -7.393 19.914 1.262 1.00 4.89 H new ATOM 0 HZ1 LYS A 70 -7.855 22.012 2.449 1.00 5.48 H new ATOM 0 HZ2 LYS A 70 -8.804 21.812 1.056 1.00 5.48 H new ATOM 0 HZ3 LYS A 70 -9.484 21.556 2.590 1.00 5.48 H new ATOM 1067 N LYS A 71 -14.493 17.604 0.210 1.00 2.96 N ATOM 1068 CA LYS A 71 -15.520 16.720 -0.309 1.00 2.86 C ATOM 1069 C LYS A 71 -15.751 16.952 -1.788 1.00 2.90 C ATOM 1070 O LYS A 71 -15.994 18.081 -2.230 1.00 3.09 O ATOM 1071 CB LYS A 71 -16.832 16.920 0.433 1.00 3.08 C ATOM 1072 CG LYS A 71 -16.721 16.781 1.939 1.00 3.27 C ATOM 1073 CD LYS A 71 -17.998 17.228 2.623 1.00 3.56 C ATOM 1074 CE LYS A 71 -18.242 18.717 2.450 1.00 3.84 C ATOM 1075 NZ LYS A 71 -17.082 19.534 2.901 1.00 4.42 N ATOM 0 H LYS A 71 -14.772 18.119 1.045 1.00 2.96 H new ATOM 0 HA LYS A 71 -15.169 15.699 -0.160 1.00 2.86 H new ATOM 0 HB2 LYS A 71 -17.222 17.910 0.198 1.00 3.08 H new ATOM 0 HB3 LYS A 71 -17.559 16.196 0.065 1.00 3.08 H new ATOM 0 HG2 LYS A 71 -16.510 15.743 2.197 1.00 3.27 H new ATOM 0 HG3 LYS A 71 -15.883 17.376 2.302 1.00 3.27 H new ATOM 0 HD2 LYS A 71 -18.842 16.672 2.215 1.00 3.56 H new ATOM 0 HD3 LYS A 71 -17.943 16.990 3.685 1.00 3.56 H new ATOM 0 HE2 LYS A 71 -18.448 18.930 1.401 1.00 3.84 H new ATOM 0 HE3 LYS A 71 -19.129 19.006 3.014 1.00 3.84 H new ATOM 0 HZ1 LYS A 71 -17.380 20.523 3.022 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -16.729 19.165 3.807 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -16.325 19.485 2.189 1.00 4.42 H new ATOM 1089 N ARG A 72 -15.659 15.880 -2.545 1.00 2.81 N ATOM 1090 CA ARG A 72 -15.915 15.933 -3.969 1.00 3.01 C ATOM 1091 C ARG A 72 -17.414 16.054 -4.182 1.00 3.30 C ATOM 1092 O ARG A 72 -18.182 15.958 -3.238 1.00 3.34 O ATOM 1093 CB ARG A 72 -15.341 14.704 -4.686 1.00 2.81 C ATOM 1094 CG ARG A 72 -16.295 13.536 -4.832 1.00 2.72 C ATOM 1095 CD ARG A 72 -15.787 12.545 -5.870 1.00 2.78 C ATOM 1096 NE ARG A 72 -14.332 12.381 -5.814 1.00 3.13 N ATOM 1097 CZ ARG A 72 -13.639 11.580 -6.623 1.00 3.60 C ATOM 1098 NH1 ARG A 72 -14.263 10.848 -7.536 1.00 3.79 N ATOM 1099 NH2 ARG A 72 -12.317 11.518 -6.517 1.00 4.27 N ATOM 0 H ARG A 72 -15.407 14.955 -2.196 1.00 2.81 H new ATOM 0 HA ARG A 72 -15.416 16.801 -4.400 1.00 3.01 H new ATOM 0 HB2 ARG A 72 -15.007 15.006 -5.679 1.00 2.81 H new ATOM 0 HB3 ARG A 72 -14.459 14.366 -4.142 1.00 2.81 H new ATOM 0 HG2 ARG A 72 -16.412 13.034 -3.871 1.00 2.72 H new ATOM 0 HG3 ARG A 72 -17.280 13.900 -5.123 1.00 2.72 H new ATOM 0 HD2 ARG A 72 -16.266 11.579 -5.712 1.00 2.78 H new ATOM 0 HD3 ARG A 72 -16.075 12.885 -6.865 1.00 2.78 H new ATOM 0 HE ARG A 72 -13.817 12.913 -5.112 1.00 3.13 H new ATOM 0 HH11 ARG A 72 -15.278 10.896 -7.622 1.00 3.79 H new ATOM 0 HH12 ARG A 72 -13.728 10.237 -8.153 1.00 3.79 H new ATOM 0 HH21 ARG A 72 -11.834 12.082 -5.818 1.00 4.27 H new ATOM 0 HH22 ARG A 72 -11.784 10.906 -7.135 1.00 4.27 H new ATOM 1113 N LYS A 73 -17.831 16.295 -5.401 1.00 3.60 N ATOM 1114 CA LYS A 73 -19.235 16.534 -5.685 1.00 3.94 C ATOM 1115 C LYS A 73 -19.611 16.008 -7.057 1.00 4.08 C ATOM 1116 O LYS A 73 -18.897 16.211 -8.034 1.00 4.10 O ATOM 1117 CB LYS A 73 -19.574 18.019 -5.551 1.00 4.37 C ATOM 1118 CG LYS A 73 -18.365 18.926 -5.580 1.00 4.48 C ATOM 1119 CD LYS A 73 -17.842 19.108 -6.984 1.00 4.57 C ATOM 1120 CE LYS A 73 -16.343 19.339 -6.978 1.00 4.59 C ATOM 1121 NZ LYS A 73 -15.962 20.578 -6.249 1.00 5.09 N ATOM 0 H LYS A 73 -17.221 16.332 -6.218 1.00 3.60 H new ATOM 0 HA LYS A 73 -19.825 15.989 -4.948 1.00 3.94 H new ATOM 0 HB2 LYS A 73 -20.249 18.302 -6.359 1.00 4.37 H new ATOM 0 HB3 LYS A 73 -20.112 18.176 -4.616 1.00 4.37 H new ATOM 0 HG2 LYS A 73 -18.627 19.897 -5.160 1.00 4.48 H new ATOM 0 HG3 LYS A 73 -17.580 18.508 -4.950 1.00 4.48 H new ATOM 0 HD2 LYS A 73 -18.076 18.226 -7.580 1.00 4.57 H new ATOM 0 HD3 LYS A 73 -18.342 19.954 -7.456 1.00 4.57 H new ATOM 0 HE2 LYS A 73 -15.848 18.484 -6.518 1.00 4.59 H new ATOM 0 HE3 LYS A 73 -15.984 19.400 -8.005 1.00 4.59 H new ATOM 0 HZ1 LYS A 73 -14.945 20.755 -6.373 1.00 5.09 H new ATOM 0 HZ2 LYS A 73 -16.502 21.383 -6.626 1.00 5.09 H new ATOM 0 HZ3 LYS A 73 -16.172 20.464 -5.237 1.00 5.09 H new ATOM 1135 N ASP A 74 -20.737 15.312 -7.107 1.00 4.26 N ATOM 1136 CA ASP A 74 -21.212 14.706 -8.335 1.00 4.45 C ATOM 1137 C ASP A 74 -21.863 15.784 -9.213 1.00 4.86 C ATOM 1138 O ASP A 74 -21.841 16.951 -8.841 1.00 4.98 O ATOM 1139 CB ASP A 74 -22.175 13.567 -7.970 1.00 4.49 C ATOM 1140 CG ASP A 74 -22.625 12.733 -9.153 1.00 4.58 C ATOM 1141 OD1 ASP A 74 -23.646 13.082 -9.779 1.00 4.91 O ATOM 1142 OD2 ASP A 74 -21.967 11.717 -9.450 1.00 4.39 O ATOM 0 H ASP A 74 -21.342 15.154 -6.301 1.00 4.26 H new ATOM 0 HA ASP A 74 -20.394 14.278 -8.915 1.00 4.45 H new ATOM 0 HB2 ASP A 74 -21.690 12.915 -7.243 1.00 4.49 H new ATOM 0 HB3 ASP A 74 -23.053 13.990 -7.483 1.00 4.49 H new ATOM 1147 N ASN A 75 -22.463 15.404 -10.332 1.00 5.14 N ATOM 1148 CA ASN A 75 -22.858 16.348 -11.391 1.00 5.57 C ATOM 1149 C ASN A 75 -23.701 17.536 -10.887 1.00 5.81 C ATOM 1150 O ASN A 75 -23.641 18.626 -11.455 1.00 6.14 O ATOM 1151 CB ASN A 75 -23.616 15.591 -12.485 1.00 5.82 C ATOM 1152 CG ASN A 75 -23.927 16.448 -13.697 1.00 6.19 C ATOM 1153 OD1 ASN A 75 -24.994 17.048 -13.795 1.00 6.35 O ATOM 1154 ND2 ASN A 75 -22.996 16.502 -14.635 1.00 6.68 N ATOM 0 H ASN A 75 -22.694 14.433 -10.540 1.00 5.14 H new ATOM 0 HA ASN A 75 -21.939 16.781 -11.785 1.00 5.57 H new ATOM 0 HB2 ASN A 75 -23.025 14.730 -12.798 1.00 5.82 H new ATOM 0 HB3 ASN A 75 -24.548 15.205 -12.072 1.00 5.82 H new ATOM 0 HD21 ASN A 75 -23.152 17.057 -15.477 1.00 6.68 H new ATOM 0 HD22 ASN A 75 -22.122 15.989 -14.517 1.00 6.68 H new ATOM 1161 N GLU A 76 -24.450 17.337 -9.812 1.00 5.70 N ATOM 1162 CA GLU A 76 -25.364 18.366 -9.314 1.00 6.00 C ATOM 1163 C GLU A 76 -24.817 19.002 -8.053 1.00 5.89 C ATOM 1164 O GLU A 76 -25.497 19.764 -7.370 1.00 6.16 O ATOM 1165 CB GLU A 76 -26.731 17.752 -9.038 1.00 6.08 C ATOM 1166 CG GLU A 76 -27.394 17.231 -10.290 1.00 6.28 C ATOM 1167 CD GLU A 76 -27.968 18.344 -11.142 1.00 6.80 C ATOM 1168 OE1 GLU A 76 -27.192 19.036 -11.832 1.00 7.08 O ATOM 1169 OE2 GLU A 76 -29.202 18.542 -11.114 1.00 7.13 O ATOM 0 H GLU A 76 -24.446 16.476 -9.266 1.00 5.70 H new ATOM 0 HA GLU A 76 -25.464 19.141 -10.074 1.00 6.00 H new ATOM 0 HB2 GLU A 76 -26.622 16.937 -8.322 1.00 6.08 H new ATOM 0 HB3 GLU A 76 -27.375 18.499 -8.574 1.00 6.08 H new ATOM 0 HG2 GLU A 76 -26.668 16.666 -10.875 1.00 6.28 H new ATOM 0 HG3 GLU A 76 -28.190 16.539 -10.016 1.00 6.28 H new ATOM 1176 N GLY A 77 -23.582 18.668 -7.752 1.00 5.53 N ATOM 1177 CA GLY A 77 -22.951 19.160 -6.541 1.00 5.43 C ATOM 1178 C GLY A 77 -23.431 18.389 -5.328 1.00 5.30 C ATOM 1179 O GLY A 77 -23.491 18.915 -4.218 1.00 5.44 O ATOM 0 H GLY A 77 -22.995 18.061 -8.324 1.00 5.53 H new ATOM 0 HA2 GLY A 77 -21.868 19.070 -6.628 1.00 5.43 H new ATOM 0 HA3 GLY A 77 -23.174 20.219 -6.415 1.00 5.43 H new ATOM 1183 N ASN A 78 -23.782 17.132 -5.574 1.00 5.12 N ATOM 1184 CA ASN A 78 -24.310 16.221 -4.555 1.00 5.11 C ATOM 1185 C ASN A 78 -23.395 16.131 -3.346 1.00 4.81 C ATOM 1186 O ASN A 78 -23.858 16.079 -2.208 1.00 5.14 O ATOM 1187 CB ASN A 78 -24.453 14.830 -5.154 1.00 5.08 C ATOM 1188 CG ASN A 78 -25.476 14.765 -6.265 1.00 5.24 C ATOM 1189 OD1 ASN A 78 -25.055 15.127 -7.465 1.00 5.62 O flip ATOM 1190 ND2 ASN A 78 -26.634 14.413 -6.048 1.00 5.20 N flip ATOM 0 H ASN A 78 -23.708 16.707 -6.498 1.00 5.12 H new ATOM 0 HA ASN A 78 -25.274 16.612 -4.230 1.00 5.11 H new ATOM 0 HB2 ASN A 78 -23.486 14.506 -5.539 1.00 5.08 H new ATOM 0 HB3 ASN A 78 -24.734 14.129 -4.368 1.00 5.08 H new ATOM 0 HD21 ASN A 78 -26.917 14.142 -5.106 1.00 5.20 H new ATOM 0 HD22 ASN A 78 -27.312 14.392 -6.810 1.00 5.20 H new ATOM 1197 N GLU A 79 -22.102 16.073 -3.639 1.00 4.33 N ATOM 1198 CA GLU A 79 -21.037 15.976 -2.631 1.00 3.99 C ATOM 1199 C GLU A 79 -20.823 14.530 -2.212 1.00 3.71 C ATOM 1200 O GLU A 79 -21.636 13.938 -1.504 1.00 3.86 O ATOM 1201 CB GLU A 79 -21.286 16.870 -1.418 1.00 4.17 C ATOM 1202 CG GLU A 79 -21.236 18.352 -1.729 1.00 4.39 C ATOM 1203 CD GLU A 79 -21.356 19.216 -0.491 1.00 4.64 C ATOM 1204 OE1 GLU A 79 -22.490 19.416 -0.004 1.00 5.00 O ATOM 1205 OE2 GLU A 79 -20.319 19.710 -0.002 1.00 4.66 O ATOM 0 H GLU A 79 -21.751 16.092 -4.597 1.00 4.33 H new ATOM 0 HA GLU A 79 -20.124 16.342 -3.100 1.00 3.99 H new ATOM 0 HB2 GLU A 79 -22.262 16.630 -0.996 1.00 4.17 H new ATOM 0 HB3 GLU A 79 -20.543 16.644 -0.653 1.00 4.17 H new ATOM 0 HG2 GLU A 79 -20.299 18.581 -2.237 1.00 4.39 H new ATOM 0 HG3 GLU A 79 -22.042 18.601 -2.420 1.00 4.39 H new ATOM 1212 N VAL A 80 -19.723 13.970 -2.689 1.00 3.33 N ATOM 1213 CA VAL A 80 -19.374 12.582 -2.443 1.00 3.02 C ATOM 1214 C VAL A 80 -18.077 12.518 -1.663 1.00 2.68 C ATOM 1215 O VAL A 80 -17.213 13.382 -1.812 1.00 2.62 O ATOM 1216 CB VAL A 80 -19.154 11.801 -3.753 1.00 2.92 C ATOM 1217 CG1 VAL A 80 -19.342 10.306 -3.537 1.00 2.77 C ATOM 1218 CG2 VAL A 80 -20.064 12.310 -4.861 1.00 3.31 C ATOM 0 H VAL A 80 -19.043 14.470 -3.262 1.00 3.33 H new ATOM 0 HA VAL A 80 -20.203 12.138 -1.892 1.00 3.02 H new ATOM 0 HB VAL A 80 -18.124 11.969 -4.067 1.00 2.92 H new ATOM 0 HG11 VAL A 80 -19.181 9.779 -4.478 1.00 2.77 H new ATOM 0 HG12 VAL A 80 -18.625 9.952 -2.796 1.00 2.77 H new ATOM 0 HG13 VAL A 80 -20.355 10.114 -3.183 1.00 2.77 H new ATOM 0 HG21 VAL A 80 -19.884 11.738 -5.771 1.00 3.31 H new ATOM 0 HG22 VAL A 80 -21.105 12.193 -4.559 1.00 3.31 H new ATOM 0 HG23 VAL A 80 -19.856 13.364 -5.047 1.00 3.31 H new ATOM 1228 N VAL A 81 -17.939 11.506 -0.839 1.00 2.52 N ATOM 1229 CA VAL A 81 -16.680 11.257 -0.174 1.00 2.22 C ATOM 1230 C VAL A 81 -16.025 10.009 -0.770 1.00 1.84 C ATOM 1231 O VAL A 81 -16.394 8.874 -0.465 1.00 1.82 O ATOM 1232 CB VAL A 81 -16.831 11.144 1.365 1.00 2.45 C ATOM 1233 CG1 VAL A 81 -17.832 10.067 1.762 1.00 2.77 C ATOM 1234 CG2 VAL A 81 -15.479 10.894 2.013 1.00 2.45 C ATOM 0 H VAL A 81 -18.680 10.843 -0.613 1.00 2.52 H new ATOM 0 HA VAL A 81 -16.032 12.116 -0.346 1.00 2.22 H new ATOM 0 HB VAL A 81 -17.223 12.094 1.728 1.00 2.45 H new ATOM 0 HG11 VAL A 81 -17.906 10.022 2.849 1.00 2.77 H new ATOM 0 HG12 VAL A 81 -18.809 10.305 1.341 1.00 2.77 H new ATOM 0 HG13 VAL A 81 -17.498 9.102 1.381 1.00 2.77 H new ATOM 0 HG21 VAL A 81 -15.602 10.817 3.093 1.00 2.45 H new ATOM 0 HG22 VAL A 81 -15.058 9.965 1.629 1.00 2.45 H new ATOM 0 HG23 VAL A 81 -14.807 11.720 1.782 1.00 2.45 H new ATOM 1244 N PRO A 82 -15.072 10.226 -1.681 1.00 1.62 N ATOM 1245 CA PRO A 82 -14.397 9.152 -2.408 1.00 1.35 C ATOM 1246 C PRO A 82 -13.494 8.304 -1.523 1.00 1.10 C ATOM 1247 O PRO A 82 -13.140 8.697 -0.410 1.00 1.10 O ATOM 1248 CB PRO A 82 -13.570 9.900 -3.446 1.00 1.48 C ATOM 1249 CG PRO A 82 -13.361 11.248 -2.869 1.00 1.62 C ATOM 1250 CD PRO A 82 -14.578 11.553 -2.079 1.00 1.78 C ATOM 0 HA PRO A 82 -15.111 8.444 -2.829 1.00 1.35 H new ATOM 0 HB2 PRO A 82 -12.620 9.398 -3.631 1.00 1.48 H new ATOM 0 HB3 PRO A 82 -14.092 9.956 -4.401 1.00 1.48 H new ATOM 0 HG2 PRO A 82 -12.472 11.268 -2.238 1.00 1.62 H new ATOM 0 HG3 PRO A 82 -13.211 11.989 -3.654 1.00 1.62 H new ATOM 0 HD2 PRO A 82 -14.349 12.172 -1.212 1.00 1.78 H new ATOM 0 HD3 PRO A 82 -15.316 12.095 -2.671 1.00 1.78 H new ATOM 1258 N LYS A 83 -13.144 7.129 -2.024 1.00 1.01 N ATOM 1259 CA LYS A 83 -12.231 6.237 -1.330 1.00 0.88 C ATOM 1260 C LYS A 83 -10.792 6.691 -1.531 1.00 0.75 C ATOM 1261 O LYS A 83 -10.421 7.152 -2.614 1.00 0.79 O ATOM 1262 CB LYS A 83 -12.426 4.797 -1.822 1.00 0.99 C ATOM 1263 CG LYS A 83 -11.181 3.922 -1.728 1.00 1.56 C ATOM 1264 CD LYS A 83 -11.443 2.511 -2.220 1.00 2.07 C ATOM 1265 CE LYS A 83 -12.360 1.750 -1.278 1.00 2.35 C ATOM 1266 NZ LYS A 83 -12.709 0.409 -1.809 1.00 3.11 N ATOM 0 H LYS A 83 -13.483 6.770 -2.917 1.00 1.01 H new ATOM 0 HA LYS A 83 -12.449 6.267 -0.262 1.00 0.88 H new ATOM 0 HB2 LYS A 83 -13.225 4.334 -1.243 1.00 0.99 H new ATOM 0 HB3 LYS A 83 -12.759 4.823 -2.860 1.00 0.99 H new ATOM 0 HG2 LYS A 83 -10.378 4.368 -2.315 1.00 1.56 H new ATOM 0 HG3 LYS A 83 -10.838 3.888 -0.694 1.00 1.56 H new ATOM 0 HD2 LYS A 83 -11.891 2.549 -3.213 1.00 2.07 H new ATOM 0 HD3 LYS A 83 -10.497 1.978 -2.317 1.00 2.07 H new ATOM 0 HE2 LYS A 83 -11.875 1.641 -0.308 1.00 2.35 H new ATOM 0 HE3 LYS A 83 -13.272 2.325 -1.116 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 -13.336 -0.078 -1.137 1.00 3.11 H new ATOM 0 HZ2 LYS A 83 -13.195 0.513 -2.723 1.00 3.11 H new ATOM 0 HZ3 LYS A 83 -11.841 -0.149 -1.940 1.00 3.11 H new ATOM 1280 N PRO A 84 -9.976 6.581 -0.470 1.00 0.64 N ATOM 1281 CA PRO A 84 -8.560 6.945 -0.508 1.00 0.54 C ATOM 1282 C PRO A 84 -7.814 6.264 -1.651 1.00 0.52 C ATOM 1283 O PRO A 84 -8.063 5.098 -1.963 1.00 0.57 O ATOM 1284 CB PRO A 84 -8.017 6.453 0.836 1.00 0.48 C ATOM 1285 CG PRO A 84 -9.196 6.316 1.734 1.00 0.56 C ATOM 1286 CD PRO A 84 -10.395 6.088 0.855 1.00 0.67 C ATOM 0 HA PRO A 84 -8.429 8.015 -0.671 1.00 0.54 H new ATOM 0 HB2 PRO A 84 -7.501 5.499 0.722 1.00 0.48 H new ATOM 0 HB3 PRO A 84 -7.295 7.159 1.246 1.00 0.48 H new ATOM 0 HG2 PRO A 84 -9.060 5.483 2.424 1.00 0.56 H new ATOM 0 HG3 PRO A 84 -9.326 7.213 2.339 1.00 0.56 H new ATOM 0 HD2 PRO A 84 -10.667 5.033 0.819 1.00 0.67 H new ATOM 0 HD3 PRO A 84 -11.267 6.629 1.223 1.00 0.67 H new ATOM 1294 N GLN A 85 -6.906 6.998 -2.276 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.111 6.459 -3.365 1.00 0.52 C ATOM 1296 C GLN A 85 -5.010 5.566 -2.824 1.00 0.43 C ATOM 1297 O GLN A 85 -4.290 5.931 -1.903 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.563 7.580 -4.265 1.00 0.62 C ATOM 1299 CG GLN A 85 -4.935 8.754 -3.524 1.00 0.85 C ATOM 1300 CD GLN A 85 -3.489 8.528 -3.115 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -2.753 7.758 -3.902 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -3.031 9.058 -2.103 1.00 0.97 N flip ATOM 0 H GLN A 85 -6.702 7.971 -2.046 1.00 0.51 H new ATOM 0 HA GLN A 85 -6.755 5.843 -3.993 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.818 7.154 -4.937 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.376 7.956 -4.887 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -4.988 9.640 -4.157 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.525 8.964 -2.632 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.628 9.645 -1.520 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.055 8.910 -1.847 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.910 4.378 -3.382 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.986 3.383 -2.873 1.00 0.27 C ATOM 1313 C ARG A 86 -3.021 2.932 -3.955 1.00 0.26 C ATOM 1314 O ARG A 86 -3.278 3.091 -5.146 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.739 2.161 -2.334 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.254 2.308 -2.345 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.942 0.959 -2.249 1.00 0.54 C ATOM 1318 NE ARG A 86 -6.677 0.122 -3.422 1.00 1.21 N ATOM 1319 CZ ARG A 86 -7.151 -1.115 -3.591 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -7.924 -1.672 -2.666 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -6.857 -1.793 -4.694 1.00 2.29 N ATOM 0 H ARG A 86 -5.457 4.076 -4.189 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.425 3.847 -2.062 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.465 1.289 -2.927 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.411 1.967 -1.313 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.566 2.937 -1.512 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.565 2.813 -3.260 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.603 0.442 -1.351 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -8.017 1.107 -2.145 1.00 0.54 H new ATOM 0 HE ARG A 86 -6.090 0.511 -4.160 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.160 -1.155 -1.819 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -8.282 -2.617 -2.802 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -6.269 -1.369 -5.412 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -7.219 -2.738 -4.824 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.913 2.361 -3.520 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.892 1.853 -4.417 1.00 0.18 C ATOM 1337 C HIS A 87 -0.619 0.391 -4.096 1.00 0.15 C ATOM 1338 O HIS A 87 -0.102 0.079 -3.029 1.00 0.14 O ATOM 1339 CB HIS A 87 0.393 2.668 -4.249 1.00 0.21 C ATOM 1340 CG HIS A 87 0.208 4.144 -4.434 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.345 5.168 -3.558 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 -0.169 4.716 -5.628 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 0.059 6.326 -4.231 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 -0.249 6.023 -5.479 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.695 2.236 -2.531 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.238 1.939 -5.447 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.799 2.485 -3.254 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.133 2.312 -4.966 1.00 0.21 H new ATOM 0 HD2 HIS A 87 -0.368 4.178 -6.543 1.00 0.36 H new ATOM 0 HE1 HIS A 87 0.082 7.321 -3.811 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.506 6.690 -6.207 1.00 0.47 H new ATOM 1353 N MET A 88 -0.961 -0.505 -5.003 1.00 0.16 N ATOM 1354 CA MET A 88 -0.816 -1.930 -4.737 1.00 0.15 C ATOM 1355 C MET A 88 0.373 -2.517 -5.483 1.00 0.20 C ATOM 1356 O MET A 88 0.489 -2.371 -6.698 1.00 0.30 O ATOM 1357 CB MET A 88 -2.086 -2.693 -5.114 1.00 0.20 C ATOM 1358 CG MET A 88 -1.998 -4.170 -4.774 1.00 0.23 C ATOM 1359 SD MET A 88 -3.512 -5.087 -5.131 1.00 0.32 S ATOM 1360 CE MET A 88 -4.658 -4.359 -3.962 1.00 0.42 C ATOM 0 H MET A 88 -1.338 -0.278 -5.923 1.00 0.16 H new ATOM 0 HA MET A 88 -0.643 -2.039 -3.666 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.938 -2.254 -4.595 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.271 -2.580 -6.182 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.174 -4.614 -5.333 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.760 -4.277 -3.716 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.062 -5.138 -3.315 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.137 -3.618 -3.356 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.473 -3.878 -4.503 1.00 0.42 H new ATOM 1370 N PHE A 89 1.256 -3.174 -4.745 1.00 0.18 N ATOM 1371 CA PHE A 89 2.418 -3.819 -5.326 1.00 0.28 C ATOM 1372 C PHE A 89 2.363 -5.311 -5.049 1.00 0.31 C ATOM 1373 O PHE A 89 2.251 -5.733 -3.898 1.00 0.43 O ATOM 1374 CB PHE A 89 3.692 -3.236 -4.725 1.00 0.34 C ATOM 1375 CG PHE A 89 3.509 -1.849 -4.190 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.490 -0.765 -5.049 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.366 -1.627 -2.832 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.329 0.515 -4.566 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.206 -0.349 -2.343 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.154 0.712 -3.188 1.00 1.33 C ATOM 0 H PHE A 89 1.185 -3.273 -3.732 1.00 0.18 H new ATOM 0 HA PHE A 89 2.420 -3.648 -6.402 1.00 0.28 H new ATOM 0 HB2 PHE A 89 4.038 -3.886 -3.921 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.473 -3.226 -5.485 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.603 -0.924 -6.111 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.380 -2.463 -2.149 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.337 1.358 -5.241 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.121 -0.190 -1.278 1.00 1.26 H new ATOM 0 HZ PHE A 89 2.978 1.705 -2.801 1.00 1.33 H new ATOM 1390 N SER A 90 2.430 -6.110 -6.092 1.00 0.26 N ATOM 1391 CA SER A 90 2.380 -7.545 -5.934 1.00 0.26 C ATOM 1392 C SER A 90 3.787 -8.112 -5.833 1.00 0.23 C ATOM 1393 O SER A 90 4.660 -7.784 -6.639 1.00 0.24 O ATOM 1394 CB SER A 90 1.617 -8.191 -7.093 1.00 0.28 C ATOM 1395 OG SER A 90 1.485 -9.592 -6.913 1.00 0.94 O ATOM 0 H SER A 90 2.519 -5.790 -7.056 1.00 0.26 H new ATOM 0 HA SER A 90 1.847 -7.774 -5.011 1.00 0.26 H new ATOM 0 HB2 SER A 90 0.628 -7.739 -7.176 1.00 0.28 H new ATOM 0 HB3 SER A 90 2.138 -7.991 -8.029 1.00 0.28 H new ATOM 0 HG SER A 90 0.992 -9.974 -7.669 1.00 0.94 H new ATOM 1401 N PHE A 91 4.002 -8.941 -4.829 1.00 0.21 N ATOM 1402 CA PHE A 91 5.289 -9.609 -4.652 1.00 0.21 C ATOM 1403 C PHE A 91 5.193 -11.093 -4.971 1.00 0.23 C ATOM 1404 O PHE A 91 4.110 -11.628 -5.221 1.00 0.28 O ATOM 1405 CB PHE A 91 5.822 -9.424 -3.228 1.00 0.30 C ATOM 1406 CG PHE A 91 6.512 -8.106 -3.031 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.672 -7.817 -3.728 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.003 -7.158 -2.165 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.313 -6.607 -3.562 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.641 -5.943 -1.997 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.795 -5.669 -2.698 1.00 1.33 C ATOM 0 H PHE A 91 3.305 -9.172 -4.120 1.00 0.21 H new ATOM 0 HA PHE A 91 5.985 -9.145 -5.351 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.995 -9.505 -2.522 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.518 -10.231 -2.998 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.080 -8.548 -4.410 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.098 -7.368 -1.614 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.220 -6.396 -4.109 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.235 -5.209 -1.317 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.293 -4.719 -2.570 1.00 1.33 H new ATOM 1421 N ASN A 92 6.346 -11.747 -4.983 1.00 0.31 N ATOM 1422 CA ASN A 92 6.427 -13.158 -5.324 1.00 0.39 C ATOM 1423 C ASN A 92 7.007 -13.955 -4.161 1.00 0.35 C ATOM 1424 O ASN A 92 7.094 -15.181 -4.216 1.00 0.42 O ATOM 1425 CB ASN A 92 7.302 -13.360 -6.570 1.00 0.51 C ATOM 1426 CG ASN A 92 6.916 -12.453 -7.729 1.00 0.80 C ATOM 1427 OD1 ASN A 92 7.466 -11.361 -7.889 1.00 1.53 O ATOM 1428 ND2 ASN A 92 5.975 -12.895 -8.548 1.00 1.27 N ATOM 0 H ASN A 92 7.244 -11.318 -4.759 1.00 0.31 H new ATOM 0 HA ASN A 92 5.419 -13.515 -5.534 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.344 -13.179 -6.307 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.231 -14.399 -6.891 1.00 0.51 H new ATOM 0 HD21 ASN A 92 5.683 -12.327 -9.343 1.00 1.27 H new ATOM 0 HD22 ASN A 92 5.542 -13.804 -8.384 1.00 1.27 H new ATOM 1435 N ASN A 93 7.420 -13.254 -3.111 1.00 0.30 N ATOM 1436 CA ASN A 93 8.030 -13.898 -1.952 1.00 0.32 C ATOM 1437 C ASN A 93 7.441 -13.335 -0.661 1.00 0.28 C ATOM 1438 O ASN A 93 7.383 -12.118 -0.468 1.00 0.23 O ATOM 1439 CB ASN A 93 9.546 -13.671 -1.982 1.00 0.37 C ATOM 1440 CG ASN A 93 10.308 -14.498 -0.957 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.799 -14.828 0.113 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.548 -14.825 -1.278 1.00 0.83 N ATOM 0 H ASN A 93 7.344 -12.239 -3.038 1.00 0.30 H new ATOM 0 HA ASN A 93 7.823 -14.968 -1.988 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.920 -13.908 -2.978 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.750 -12.615 -1.808 1.00 0.37 H new ATOM 0 HD21 ASN A 93 12.116 -15.369 -0.629 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.936 -14.533 -2.175 1.00 0.83 H new ATOM 1449 N ARG A 94 7.007 -14.243 0.213 1.00 0.34 N ATOM 1450 CA ARG A 94 6.424 -13.887 1.504 1.00 0.37 C ATOM 1451 C ARG A 94 7.409 -13.095 2.353 1.00 0.30 C ATOM 1452 O ARG A 94 7.015 -12.215 3.113 1.00 0.27 O ATOM 1453 CB ARG A 94 5.995 -15.154 2.253 1.00 0.57 C ATOM 1454 CG ARG A 94 5.458 -14.902 3.649 1.00 0.90 C ATOM 1455 CD ARG A 94 4.137 -14.175 3.595 1.00 0.71 C ATOM 1456 NE ARG A 94 3.636 -13.836 4.926 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.349 -13.655 5.215 1.00 1.35 C ATOM 1458 NH1 ARG A 94 1.426 -13.838 4.278 1.00 2.16 N ATOM 1459 NH2 ARG A 94 1.987 -13.314 6.449 1.00 1.70 N ATOM 0 H ARG A 94 7.050 -15.248 0.044 1.00 0.34 H new ATOM 0 HA ARG A 94 5.551 -13.261 1.319 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.230 -15.666 1.669 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.849 -15.828 2.321 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.335 -15.850 4.172 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.178 -14.315 4.219 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.250 -13.263 3.009 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.404 -14.796 3.080 1.00 0.71 H new ATOM 0 HE ARG A 94 4.315 -13.732 5.680 1.00 0.99 H new ATOM 0 HH11 ARG A 94 1.703 -14.117 3.337 1.00 2.16 H new ATOM 0 HH12 ARG A 94 0.440 -13.699 4.499 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.695 -13.191 7.173 1.00 1.70 H new ATOM 0 HH22 ARG A 94 1.001 -13.175 6.671 1.00 1.70 H new ATOM 1473 N THR A 95 8.688 -13.397 2.206 1.00 0.30 N ATOM 1474 CA THR A 95 9.713 -12.745 3.000 1.00 0.27 C ATOM 1475 C THR A 95 9.873 -11.289 2.576 1.00 0.21 C ATOM 1476 O THR A 95 9.696 -10.378 3.381 1.00 0.18 O ATOM 1477 CB THR A 95 11.061 -13.471 2.870 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.930 -14.833 3.296 1.00 0.40 O ATOM 1479 CG2 THR A 95 12.115 -12.773 3.703 1.00 0.32 C ATOM 0 H THR A 95 9.040 -14.089 1.545 1.00 0.30 H new ATOM 0 HA THR A 95 9.397 -12.783 4.042 1.00 0.27 H new ATOM 0 HB THR A 95 11.367 -13.452 1.824 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.794 -15.288 3.208 1.00 0.40 H new ATOM 0 HG21 THR A 95 13.065 -13.298 3.602 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.229 -11.745 3.358 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.810 -12.773 4.750 1.00 0.32 H new ATOM 1487 N VAL A 96 10.196 -11.092 1.302 1.00 0.23 N ATOM 1488 CA VAL A 96 10.337 -9.764 0.712 1.00 0.21 C ATOM 1489 C VAL A 96 9.194 -8.851 1.100 1.00 0.19 C ATOM 1490 O VAL A 96 9.411 -7.775 1.648 1.00 0.19 O ATOM 1491 CB VAL A 96 10.356 -9.845 -0.823 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.456 -8.454 -1.435 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.501 -10.724 -1.291 1.00 0.29 C ATOM 0 H VAL A 96 10.368 -11.853 0.645 1.00 0.23 H new ATOM 0 HA VAL A 96 11.277 -9.362 1.090 1.00 0.21 H new ATOM 0 HB VAL A 96 9.420 -10.293 -1.157 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.468 -8.535 -2.522 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.598 -7.857 -1.125 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.374 -7.973 -1.097 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.501 -10.772 -2.380 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.446 -10.305 -0.946 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.379 -11.728 -0.884 1.00 0.29 H new ATOM 1503 N MET A 97 7.978 -9.284 0.817 1.00 0.19 N ATOM 1504 CA MET A 97 6.822 -8.461 1.073 1.00 0.19 C ATOM 1505 C MET A 97 6.650 -8.213 2.563 1.00 0.17 C ATOM 1506 O MET A 97 6.147 -7.172 2.967 1.00 0.19 O ATOM 1507 CB MET A 97 5.575 -9.093 0.459 1.00 0.21 C ATOM 1508 CG MET A 97 5.126 -10.390 1.104 1.00 0.22 C ATOM 1509 SD MET A 97 3.484 -10.292 1.835 1.00 0.29 S ATOM 1510 CE MET A 97 3.827 -9.521 3.403 1.00 0.17 C ATOM 0 H MET A 97 7.772 -10.197 0.412 1.00 0.19 H new ATOM 0 HA MET A 97 6.973 -7.491 0.600 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.757 -8.375 0.516 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.764 -9.278 -0.599 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.136 -11.182 0.355 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.843 -10.671 1.875 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.936 -9.560 4.030 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.642 -10.049 3.897 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.113 -8.481 3.243 1.00 0.17 H new ATOM 1520 N ASP A 98 7.104 -9.143 3.390 1.00 0.16 N ATOM 1521 CA ASP A 98 6.991 -8.958 4.828 1.00 0.16 C ATOM 1522 C ASP A 98 7.998 -7.917 5.273 1.00 0.15 C ATOM 1523 O ASP A 98 7.763 -7.157 6.212 1.00 0.22 O ATOM 1524 CB ASP A 98 7.221 -10.267 5.575 1.00 0.21 C ATOM 1525 CG ASP A 98 6.891 -10.137 7.047 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.739 -9.768 7.367 1.00 0.38 O ATOM 1527 OD2 ASP A 98 7.773 -10.408 7.886 1.00 0.39 O ATOM 0 H ASP A 98 7.545 -10.015 3.098 1.00 0.16 H new ATOM 0 HA ASP A 98 5.981 -8.620 5.060 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.607 -11.051 5.132 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.261 -10.573 5.461 1.00 0.21 H new ATOM 1532 N ASN A 99 9.096 -7.864 4.541 1.00 0.12 N ATOM 1533 CA ASN A 99 10.179 -6.936 4.813 1.00 0.13 C ATOM 1534 C ASN A 99 9.807 -5.553 4.320 1.00 0.15 C ATOM 1535 O ASN A 99 9.955 -4.562 5.027 1.00 0.24 O ATOM 1536 CB ASN A 99 11.449 -7.398 4.100 1.00 0.22 C ATOM 1537 CG ASN A 99 12.006 -8.688 4.656 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.498 -9.544 3.775 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 11.977 -8.925 5.862 1.00 0.50 N flip ATOM 0 H ASN A 99 9.263 -8.468 3.736 1.00 0.12 H new ATOM 0 HA ASN A 99 10.355 -6.905 5.888 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.236 -7.529 3.039 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.207 -6.618 4.179 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.589 -8.237 6.508 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.341 -9.809 6.217 1.00 0.50 H new ATOM 1546 N ILE A 100 9.323 -5.504 3.093 1.00 0.12 N ATOM 1547 CA ILE A 100 8.846 -4.269 2.498 1.00 0.12 C ATOM 1548 C ILE A 100 7.732 -3.669 3.353 1.00 0.11 C ATOM 1549 O ILE A 100 7.770 -2.489 3.704 1.00 0.13 O ATOM 1550 CB ILE A 100 8.326 -4.526 1.069 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.465 -4.988 0.169 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.689 -3.275 0.487 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.522 -3.932 -0.032 1.00 0.11 C ATOM 0 H ILE A 100 9.249 -6.317 2.482 1.00 0.12 H new ATOM 0 HA ILE A 100 9.677 -3.566 2.449 1.00 0.12 H new ATOM 0 HB ILE A 100 7.568 -5.308 1.123 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.925 -5.877 0.601 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.060 -5.278 -0.800 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.331 -3.484 -0.521 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.851 -2.968 1.113 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.427 -2.474 0.451 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.306 -4.321 -0.682 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.074 -3.051 -0.492 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.952 -3.659 0.932 1.00 0.11 H new ATOM 1565 N LYS A 101 6.758 -4.505 3.706 1.00 0.11 N ATOM 1566 CA LYS A 101 5.657 -4.093 4.554 1.00 0.12 C ATOM 1567 C LYS A 101 6.170 -3.543 5.884 1.00 0.11 C ATOM 1568 O LYS A 101 5.760 -2.465 6.316 1.00 0.14 O ATOM 1569 CB LYS A 101 4.706 -5.287 4.770 1.00 0.18 C ATOM 1570 CG LYS A 101 3.603 -5.084 5.806 1.00 0.89 C ATOM 1571 CD LYS A 101 4.059 -5.262 7.255 1.00 0.75 C ATOM 1572 CE LYS A 101 4.792 -6.579 7.510 1.00 0.42 C ATOM 1573 NZ LYS A 101 3.970 -7.779 7.193 1.00 1.11 N ATOM 0 H LYS A 101 6.715 -5.480 3.411 1.00 0.11 H new ATOM 0 HA LYS A 101 5.107 -3.289 4.065 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.240 -5.532 3.816 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.301 -6.151 5.066 1.00 0.18 H new ATOM 0 HG2 LYS A 101 3.190 -4.082 5.688 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.796 -5.788 5.603 1.00 0.89 H new ATOM 0 HD2 LYS A 101 4.714 -4.434 7.525 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.189 -5.207 7.910 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.703 -6.602 6.912 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.097 -6.621 8.556 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.444 -8.630 7.557 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.034 -7.686 7.638 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 3.857 -7.860 6.162 1.00 1.11 H new ATOM 1587 N MET A 102 7.077 -4.277 6.525 1.00 0.09 N ATOM 1588 CA MET A 102 7.563 -3.892 7.846 1.00 0.09 C ATOM 1589 C MET A 102 8.433 -2.645 7.752 1.00 0.09 C ATOM 1590 O MET A 102 8.561 -1.895 8.714 1.00 0.12 O ATOM 1591 CB MET A 102 8.325 -5.055 8.510 1.00 0.10 C ATOM 1592 CG MET A 102 9.691 -5.355 7.912 1.00 0.16 C ATOM 1593 SD MET A 102 11.014 -4.309 8.552 1.00 0.88 S ATOM 1594 CE MET A 102 11.061 -4.844 10.257 1.00 1.17 C ATOM 0 H MET A 102 7.487 -5.134 6.154 1.00 0.09 H new ATOM 0 HA MET A 102 6.704 -3.657 8.475 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.451 -4.829 9.569 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.712 -5.954 8.446 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.940 -6.398 8.105 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.637 -5.235 6.830 1.00 0.16 H new ATOM 0 HE1 MET A 102 12.057 -4.673 10.665 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.330 -4.280 10.836 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.825 -5.907 10.312 1.00 1.17 H new ATOM 1604 N THR A 103 9.013 -2.426 6.583 1.00 0.08 N ATOM 1605 CA THR A 103 9.799 -1.237 6.332 1.00 0.08 C ATOM 1606 C THR A 103 8.899 -0.015 6.325 1.00 0.08 C ATOM 1607 O THR A 103 9.148 0.972 7.020 1.00 0.09 O ATOM 1608 CB THR A 103 10.519 -1.338 4.972 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.480 -2.400 4.999 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.200 -0.039 4.612 1.00 0.11 C ATOM 0 H THR A 103 8.951 -3.064 5.790 1.00 0.08 H new ATOM 0 HA THR A 103 10.542 -1.146 7.124 1.00 0.08 H new ATOM 0 HB THR A 103 9.767 -1.550 4.212 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.031 -3.252 4.821 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.698 -0.144 3.648 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.457 0.757 4.552 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.937 0.209 5.376 1.00 0.11 H new ATOM 1618 N LEU A 104 7.834 -0.111 5.548 1.00 0.08 N ATOM 1619 CA LEU A 104 6.928 0.999 5.354 1.00 0.09 C ATOM 1620 C LEU A 104 6.134 1.290 6.614 1.00 0.11 C ATOM 1621 O LEU A 104 6.177 2.400 7.126 1.00 0.13 O ATOM 1622 CB LEU A 104 5.957 0.701 4.210 1.00 0.09 C ATOM 1623 CG LEU A 104 6.591 0.379 2.858 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.652 -0.437 2.005 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.941 1.641 2.126 1.00 0.11 C ATOM 0 H LEU A 104 7.577 -0.956 5.038 1.00 0.08 H new ATOM 0 HA LEU A 104 7.531 1.873 5.108 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.329 -0.140 4.503 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.300 1.562 4.085 1.00 0.09 H new ATOM 0 HG LEU A 104 7.497 -0.197 3.048 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.126 -0.654 1.048 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.418 -1.372 2.514 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.733 0.124 1.836 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.391 1.391 1.165 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.038 2.229 1.962 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.648 2.221 2.719 1.00 0.11 H new ATOM 1637 N GLN A 105 5.398 0.297 7.097 1.00 0.12 N ATOM 1638 CA GLN A 105 4.552 0.466 8.282 1.00 0.18 C ATOM 1639 C GLN A 105 5.316 1.014 9.479 1.00 0.18 C ATOM 1640 O GLN A 105 4.716 1.627 10.360 1.00 0.22 O ATOM 1641 CB GLN A 105 3.855 -0.832 8.681 1.00 0.28 C ATOM 1642 CG GLN A 105 2.818 -1.277 7.678 1.00 0.39 C ATOM 1643 CD GLN A 105 1.807 -2.249 8.240 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.266 -3.090 7.374 1.00 1.45 O flip ATOM 1645 NE2 GLN A 105 1.497 -2.232 9.427 1.00 0.99 N flip ATOM 0 H GLN A 105 5.367 -0.637 6.689 1.00 0.12 H new ATOM 0 HA GLN A 105 3.799 1.199 7.992 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.601 -1.618 8.797 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.379 -0.699 9.653 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.294 -0.400 7.298 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.321 -1.740 6.829 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.940 -1.566 10.060 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.797 -2.884 9.781 1.00 0.99 H new ATOM 1654 N GLN A 106 6.629 0.818 9.516 1.00 0.17 N ATOM 1655 CA GLN A 106 7.430 1.398 10.569 1.00 0.20 C ATOM 1656 C GLN A 106 7.394 2.905 10.430 1.00 0.20 C ATOM 1657 O GLN A 106 7.103 3.629 11.375 1.00 0.36 O ATOM 1658 CB GLN A 106 8.856 0.893 10.485 1.00 0.25 C ATOM 1659 CG GLN A 106 9.114 -0.356 11.306 1.00 0.30 C ATOM 1660 CD GLN A 106 10.572 -0.767 11.286 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.362 -0.343 12.131 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.936 -1.595 10.324 1.00 0.47 N ATOM 0 H GLN A 106 7.150 0.267 8.834 1.00 0.17 H new ATOM 0 HA GLN A 106 7.028 1.109 11.540 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.097 0.687 9.442 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.531 1.681 10.819 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.802 -0.182 12.336 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.503 -1.173 10.922 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.249 -1.921 9.645 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.905 -1.908 10.260 1.00 0.47 H new ATOM 1671 N ILE A 107 7.642 3.342 9.209 1.00 0.13 N ATOM 1672 CA ILE A 107 7.559 4.738 8.816 1.00 0.13 C ATOM 1673 C ILE A 107 6.167 5.288 9.070 1.00 0.14 C ATOM 1674 O ILE A 107 6.000 6.395 9.567 1.00 0.17 O ATOM 1675 CB ILE A 107 7.836 4.848 7.310 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.199 4.239 6.971 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.732 6.288 6.857 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.405 3.979 5.497 1.00 0.14 C ATOM 0 H ILE A 107 7.913 2.723 8.445 1.00 0.13 H new ATOM 0 HA ILE A 107 8.287 5.303 9.398 1.00 0.13 H new ATOM 0 HB ILE A 107 7.080 4.280 6.768 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.983 4.909 7.325 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.312 3.301 7.514 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.931 6.348 5.787 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.729 6.662 7.061 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.461 6.893 7.396 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.393 3.548 5.338 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.644 3.284 5.140 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.326 4.917 4.948 1.00 0.14 H new ATOM 1690 N ILE A 108 5.171 4.504 8.711 1.00 0.13 N ATOM 1691 CA ILE A 108 3.793 4.930 8.839 1.00 0.17 C ATOM 1692 C ILE A 108 3.436 5.118 10.305 1.00 0.23 C ATOM 1693 O ILE A 108 2.948 6.172 10.696 1.00 0.29 O ATOM 1694 CB ILE A 108 2.863 3.917 8.152 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.494 3.560 6.803 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.452 4.471 8.001 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.535 3.153 5.716 1.00 0.15 C ATOM 0 H ILE A 108 5.291 3.566 8.328 1.00 0.13 H new ATOM 0 HA ILE A 108 3.663 5.891 8.342 1.00 0.17 H new ATOM 0 HB ILE A 108 2.760 3.018 8.759 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.067 4.419 6.453 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.203 2.747 6.959 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.820 3.730 7.512 1.00 0.26 H new ATOM 0 HG22 ILE A 108 1.045 4.702 8.985 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.480 5.379 7.398 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.091 2.923 4.807 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.978 2.271 6.033 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.840 3.969 5.519 1.00 0.15 H new ATOM 1709 N SER A 109 3.719 4.106 11.116 1.00 0.28 N ATOM 1710 CA SER A 109 3.589 4.215 12.569 1.00 0.37 C ATOM 1711 C SER A 109 4.405 5.400 13.096 1.00 0.37 C ATOM 1712 O SER A 109 4.008 6.074 14.046 1.00 0.43 O ATOM 1713 CB SER A 109 4.057 2.920 13.229 1.00 0.45 C ATOM 1714 OG SER A 109 3.398 1.797 12.663 1.00 1.22 O ATOM 0 H SER A 109 4.042 3.194 10.792 1.00 0.28 H new ATOM 0 HA SER A 109 2.540 4.384 12.814 1.00 0.37 H new ATOM 0 HB2 SER A 109 5.135 2.814 13.107 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.860 2.961 14.300 1.00 0.45 H new ATOM 0 HG SER A 109 3.939 1.435 11.930 1.00 1.22 H new ATOM 1720 N ARG A 110 5.529 5.662 12.436 1.00 0.33 N ATOM 1721 CA ARG A 110 6.407 6.771 12.778 1.00 0.35 C ATOM 1722 C ARG A 110 5.726 8.100 12.493 1.00 0.38 C ATOM 1723 O ARG A 110 5.968 9.095 13.173 1.00 0.48 O ATOM 1724 CB ARG A 110 7.709 6.651 11.985 1.00 0.34 C ATOM 1725 CG ARG A 110 8.741 5.766 12.621 1.00 1.27 C ATOM 1726 CD ARG A 110 9.956 5.656 11.728 1.00 1.25 C ATOM 1727 NE ARG A 110 10.973 4.769 12.282 1.00 2.39 N ATOM 1728 CZ ARG A 110 12.128 4.493 11.683 1.00 2.70 C ATOM 1729 NH1 ARG A 110 12.438 5.064 10.525 1.00 1.97 N ATOM 1730 NH2 ARG A 110 12.978 3.646 12.247 1.00 3.79 N ATOM 0 H ARG A 110 5.856 5.107 11.645 1.00 0.33 H new ATOM 0 HA ARG A 110 6.633 6.733 13.844 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.481 6.267 10.991 1.00 0.34 H new ATOM 0 HB3 ARG A 110 8.133 7.646 11.853 1.00 0.34 H new ATOM 0 HG2 ARG A 110 9.029 6.170 13.591 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.321 4.776 12.800 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.652 5.288 10.748 1.00 1.25 H new ATOM 0 HD3 ARG A 110 10.384 6.647 11.578 1.00 1.25 H new ATOM 0 HE ARG A 110 10.787 4.333 13.185 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.789 5.719 10.089 1.00 1.97 H new ATOM 0 HH12 ARG A 110 13.326 4.848 10.071 1.00 1.97 H new ATOM 0 HH21 ARG A 110 12.745 3.208 13.138 1.00 3.79 H new ATOM 0 HH22 ARG A 110 13.864 3.433 11.790 1.00 3.79 H new ATOM 1744 N TYR A 111 4.852 8.106 11.497 1.00 0.34 N ATOM 1745 CA TYR A 111 4.150 9.317 11.125 1.00 0.41 C ATOM 1746 C TYR A 111 2.798 9.407 11.814 1.00 0.49 C ATOM 1747 O TYR A 111 2.170 10.463 11.829 1.00 0.60 O ATOM 1748 CB TYR A 111 4.006 9.418 9.609 1.00 0.37 C ATOM 1749 CG TYR A 111 5.223 10.034 8.964 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.379 11.412 8.909 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.226 9.240 8.441 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.503 11.977 8.343 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.358 9.796 7.878 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.491 11.165 7.831 1.00 0.48 C ATOM 1755 OH TYR A 111 8.619 11.726 7.280 1.00 0.55 O ATOM 0 H TYR A 111 4.615 7.287 10.936 1.00 0.34 H new ATOM 0 HA TYR A 111 4.746 10.165 11.463 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.840 8.424 9.194 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.127 10.015 9.368 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.609 12.051 9.315 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.123 8.165 8.473 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.608 13.051 8.301 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.134 9.161 7.477 1.00 0.40 H new ATOM 0 HH TYR A 111 9.313 11.040 7.186 1.00 0.55 H new ATOM 1765 N LYS A 112 2.360 8.297 12.391 1.00 0.51 N ATOM 1766 CA LYS A 112 1.146 8.280 13.193 1.00 0.63 C ATOM 1767 C LYS A 112 1.458 8.713 14.614 1.00 0.67 C ATOM 1768 O LYS A 112 0.584 9.173 15.343 1.00 0.77 O ATOM 1769 CB LYS A 112 0.511 6.894 13.179 1.00 0.72 C ATOM 1770 CG LYS A 112 -0.060 6.519 11.830 1.00 0.76 C ATOM 1771 CD LYS A 112 0.293 5.090 11.484 1.00 0.65 C ATOM 1772 CE LYS A 112 -0.286 4.104 12.478 1.00 1.28 C ATOM 1773 NZ LYS A 112 -1.766 4.196 12.566 1.00 1.76 N ATOM 0 H LYS A 112 2.829 7.394 12.318 1.00 0.51 H new ATOM 0 HA LYS A 112 0.432 8.982 12.762 1.00 0.63 H new ATOM 0 HB2 LYS A 112 1.258 6.155 13.469 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -0.282 6.856 13.926 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -1.143 6.640 11.841 1.00 0.76 H new ATOM 0 HG3 LYS A 112 0.328 7.191 11.065 1.00 0.76 H new ATOM 0 HD2 LYS A 112 -0.077 4.857 10.485 1.00 0.65 H new ATOM 0 HD3 LYS A 112 1.377 4.981 11.456 1.00 0.65 H new ATOM 0 HE2 LYS A 112 -0.004 3.092 12.189 1.00 1.28 H new ATOM 0 HE3 LYS A 112 0.146 4.287 13.462 1.00 1.28 H new ATOM 0 HZ1 LYS A 112 -2.132 3.389 13.110 1.00 1.76 H new ATOM 0 HZ2 LYS A 112 -2.031 5.082 13.041 1.00 1.76 H new ATOM 0 HZ3 LYS A 112 -2.172 4.182 11.609 1.00 1.76 H new ATOM 1787 N ASP A 113 2.717 8.563 15.000 1.00 0.64 N ATOM 1788 CA ASP A 113 3.195 9.114 16.261 1.00 0.72 C ATOM 1789 C ASP A 113 3.257 10.632 16.158 1.00 0.72 C ATOM 1790 O ASP A 113 3.199 11.349 17.157 1.00 0.80 O ATOM 1791 CB ASP A 113 4.572 8.545 16.611 1.00 0.78 C ATOM 1792 CG ASP A 113 5.116 9.098 17.915 1.00 1.16 C ATOM 1793 OD1 ASP A 113 4.598 8.720 18.990 1.00 1.18 O ATOM 1794 OD2 ASP A 113 6.071 9.899 17.874 1.00 1.56 O ATOM 0 H ASP A 113 3.425 8.066 14.460 1.00 0.64 H new ATOM 0 HA ASP A 113 2.504 8.835 17.056 1.00 0.72 H new ATOM 0 HB2 ASP A 113 4.506 7.459 16.680 1.00 0.78 H new ATOM 0 HB3 ASP A 113 5.270 8.771 15.805 1.00 0.78 H new ATOM 1799 N ALA A 114 3.341 11.109 14.926 1.00 0.68 N ATOM 1800 CA ALA A 114 3.362 12.537 14.647 1.00 0.76 C ATOM 1801 C ALA A 114 2.058 12.963 13.978 1.00 0.86 C ATOM 1802 O ALA A 114 2.014 13.938 13.229 1.00 1.09 O ATOM 1803 CB ALA A 114 4.555 12.883 13.767 1.00 0.82 C ATOM 0 H ALA A 114 3.396 10.521 14.095 1.00 0.68 H new ATOM 0 HA ALA A 114 3.459 13.079 15.588 1.00 0.76 H new ATOM 0 HB1 ALA A 114 4.560 13.954 13.565 1.00 0.82 H new ATOM 0 HB2 ALA A 114 5.477 12.606 14.278 1.00 0.82 H new ATOM 0 HB3 ALA A 114 4.484 12.337 12.826 1.00 0.82 H new ATOM 1809 N ASP A 115 0.999 12.215 14.253 1.00 0.85 N ATOM 1810 CA ASP A 115 -0.305 12.474 13.656 1.00 1.01 C ATOM 1811 C ASP A 115 -1.255 13.059 14.691 1.00 1.32 C ATOM 1812 O ASP A 115 -1.572 14.263 14.596 1.00 2.16 O ATOM 1813 CB ASP A 115 -0.884 11.183 13.071 1.00 1.00 C ATOM 1814 CG ASP A 115 -2.283 11.357 12.517 1.00 1.24 C ATOM 1815 OD1 ASP A 115 -2.444 12.064 11.502 1.00 1.51 O ATOM 1816 OD2 ASP A 115 -3.234 10.800 13.101 1.00 1.39 O ATOM 1817 OXT ASP A 115 -1.653 12.320 15.616 1.00 1.44 O ATOM 0 H ASP A 115 1.017 11.419 14.890 1.00 0.85 H new ATOM 0 HA ASP A 115 -0.182 13.198 12.851 1.00 1.01 H new ATOM 0 HB2 ASP A 115 -0.228 10.824 12.278 1.00 1.00 H new ATOM 0 HB3 ASP A 115 -0.899 10.415 13.845 1.00 1.00 H new TER 1822 ASP A 115 ATOM 1823 N GLY B 242 5.088 -27.788 -33.969 1.00 25.39 N ATOM 1824 CA GLY B 242 5.950 -27.202 -32.916 1.00 25.32 C ATOM 1825 C GLY B 242 5.188 -26.970 -31.629 1.00 24.90 C ATOM 1826 O GLY B 242 4.083 -27.489 -31.453 1.00 24.93 O ATOM 0 HA2 GLY B 242 6.792 -27.867 -32.725 1.00 25.32 H new ATOM 0 HA3 GLY B 242 6.363 -26.257 -33.269 1.00 25.32 H new ATOM 1832 N GLY B 243 5.769 -26.192 -30.728 1.00 24.60 N ATOM 1833 CA GLY B 243 5.108 -25.893 -29.475 1.00 24.30 C ATOM 1834 C GLY B 243 5.209 -24.428 -29.115 1.00 23.95 C ATOM 1835 O GLY B 243 5.102 -24.061 -27.942 1.00 23.75 O ATOM 0 H GLY B 243 6.687 -25.762 -30.842 1.00 24.60 H new ATOM 0 HA2 GLY B 243 4.058 -26.178 -29.542 1.00 24.30 H new ATOM 0 HA3 GLY B 243 5.551 -26.493 -28.680 1.00 24.30 H new ATOM 1839 N GLY B 244 5.403 -23.592 -30.127 1.00 23.97 N ATOM 1840 CA GLY B 244 5.555 -22.168 -29.904 1.00 23.78 C ATOM 1841 C GLY B 244 4.226 -21.468 -29.719 1.00 23.46 C ATOM 1842 O GLY B 244 3.840 -20.622 -30.528 1.00 23.62 O ATOM 0 H GLY B 244 5.458 -23.878 -31.105 1.00 23.97 H new ATOM 0 HA2 GLY B 244 6.174 -22.005 -29.022 1.00 23.78 H new ATOM 0 HA3 GLY B 244 6.081 -21.725 -30.749 1.00 23.78 H new ATOM 1846 N GLY B 245 3.521 -21.834 -28.660 1.00 23.13 N ATOM 1847 CA GLY B 245 2.240 -21.234 -28.370 1.00 22.92 C ATOM 1848 C GLY B 245 2.022 -21.078 -26.885 1.00 22.70 C ATOM 1849 O GLY B 245 1.054 -21.597 -26.331 1.00 22.72 O ATOM 0 H GLY B 245 3.819 -22.544 -27.991 1.00 23.13 H new ATOM 0 HA2 GLY B 245 2.177 -20.258 -28.852 1.00 22.92 H new ATOM 0 HA3 GLY B 245 1.446 -21.849 -28.792 1.00 22.92 H new ATOM 1853 N TYR B 246 2.936 -20.370 -26.241 1.00 22.59 N ATOM 1854 CA TYR B 246 2.870 -20.161 -24.802 1.00 22.48 C ATOM 1855 C TYR B 246 1.982 -18.962 -24.495 1.00 22.02 C ATOM 1856 O TYR B 246 1.793 -18.093 -25.346 1.00 22.35 O ATOM 1857 CB TYR B 246 4.275 -19.942 -24.234 1.00 23.22 C ATOM 1858 CG TYR B 246 5.252 -21.043 -24.592 1.00 23.55 C ATOM 1859 CD1 TYR B 246 5.328 -22.207 -23.839 1.00 23.87 C ATOM 1860 CD2 TYR B 246 6.095 -20.916 -25.690 1.00 23.67 C ATOM 1861 CE1 TYR B 246 6.216 -23.214 -24.169 1.00 24.29 C ATOM 1862 CE2 TYR B 246 6.985 -21.917 -26.026 1.00 24.09 C ATOM 1863 CZ TYR B 246 7.043 -23.064 -25.263 1.00 24.40 C ATOM 1864 OH TYR B 246 7.929 -24.065 -25.598 1.00 24.92 O ATOM 0 H TYR B 246 3.736 -19.928 -26.694 1.00 22.59 H new ATOM 0 HA TYR B 246 2.442 -21.047 -24.333 1.00 22.48 H new ATOM 0 HB2 TYR B 246 4.662 -18.991 -24.600 1.00 23.22 H new ATOM 0 HB3 TYR B 246 4.211 -19.863 -23.149 1.00 23.22 H new ATOM 0 HD1 TYR B 246 4.683 -22.328 -22.981 1.00 23.87 H new ATOM 0 HD2 TYR B 246 6.053 -20.019 -26.290 1.00 23.67 H new ATOM 0 HE1 TYR B 246 6.262 -24.114 -23.573 1.00 24.29 H new ATOM 0 HE2 TYR B 246 7.633 -21.802 -26.883 1.00 24.09 H new ATOM 0 HH TYR B 246 8.435 -23.801 -26.394 1.00 24.92 H new ATOM 1874 N ASP B 247 1.447 -18.912 -23.284 1.00 21.35 N ATOM 1875 CA ASP B 247 0.538 -17.846 -22.893 1.00 20.95 C ATOM 1876 C ASP B 247 1.116 -17.084 -21.718 1.00 20.12 C ATOM 1877 O ASP B 247 1.368 -17.665 -20.659 1.00 19.68 O ATOM 1878 CB ASP B 247 -0.836 -18.406 -22.504 1.00 20.82 C ATOM 1879 CG ASP B 247 -1.557 -19.083 -23.652 1.00 21.19 C ATOM 1880 OD1 ASP B 247 -2.264 -18.392 -24.415 1.00 21.40 O ATOM 1881 OD2 ASP B 247 -1.440 -20.318 -23.788 1.00 21.36 O ATOM 0 H ASP B 247 1.628 -19.600 -22.553 1.00 21.35 H new ATOM 0 HA ASP B 247 0.414 -17.179 -23.746 1.00 20.95 H new ATOM 0 HB2 ASP B 247 -0.712 -19.121 -21.691 1.00 20.82 H new ATOM 0 HB3 ASP B 247 -1.456 -17.595 -22.123 1.00 20.82 H new ATOM 1886 N VAL B 248 1.339 -15.792 -21.901 1.00 20.03 N ATOM 1887 CA VAL B 248 1.830 -14.951 -20.821 1.00 19.37 C ATOM 1888 C VAL B 248 0.709 -14.643 -19.833 1.00 18.15 C ATOM 1889 O VAL B 248 0.102 -13.569 -19.854 1.00 17.73 O ATOM 1890 CB VAL B 248 2.471 -13.641 -21.338 1.00 19.95 C ATOM 1891 CG1 VAL B 248 3.822 -13.933 -21.967 1.00 20.02 C ATOM 1892 CG2 VAL B 248 1.568 -12.933 -22.341 1.00 20.37 C ATOM 0 H VAL B 248 1.188 -15.304 -22.784 1.00 20.03 H new ATOM 0 HA VAL B 248 2.613 -15.511 -20.310 1.00 19.37 H new ATOM 0 HB VAL B 248 2.606 -12.977 -20.484 1.00 19.95 H new ATOM 0 HG11 VAL B 248 4.264 -13.004 -22.327 1.00 20.02 H new ATOM 0 HG12 VAL B 248 4.480 -14.383 -21.224 1.00 20.02 H new ATOM 0 HG13 VAL B 248 3.693 -14.621 -22.802 1.00 20.02 H new ATOM 0 HG21 VAL B 248 2.051 -12.017 -22.682 1.00 20.37 H new ATOM 0 HG22 VAL B 248 1.388 -13.588 -23.194 1.00 20.37 H new ATOM 0 HG23 VAL B 248 0.619 -12.687 -21.865 1.00 20.37 H new ATOM 1902 N GLU B 249 0.417 -15.620 -18.988 1.00 17.68 N ATOM 1903 CA GLU B 249 -0.619 -15.478 -17.980 1.00 16.58 C ATOM 1904 C GLU B 249 -0.304 -14.320 -17.041 1.00 15.78 C ATOM 1905 O GLU B 249 0.744 -14.292 -16.398 1.00 15.94 O ATOM 1906 CB GLU B 249 -0.769 -16.773 -17.186 1.00 16.66 C ATOM 1907 CG GLU B 249 -1.900 -16.733 -16.175 1.00 15.82 C ATOM 1908 CD GLU B 249 -2.054 -18.036 -15.432 1.00 16.11 C ATOM 1909 OE1 GLU B 249 -2.764 -18.930 -15.930 1.00 16.39 O ATOM 1910 OE2 GLU B 249 -1.461 -18.179 -14.342 1.00 16.16 O ATOM 0 H GLU B 249 0.887 -16.525 -18.982 1.00 17.68 H new ATOM 0 HA GLU B 249 -1.560 -15.265 -18.487 1.00 16.58 H new ATOM 0 HB2 GLU B 249 -0.940 -17.597 -17.878 1.00 16.66 H new ATOM 0 HB3 GLU B 249 0.166 -16.982 -16.666 1.00 16.66 H new ATOM 0 HG2 GLU B 249 -1.717 -15.930 -15.461 1.00 15.82 H new ATOM 0 HG3 GLU B 249 -2.833 -16.497 -16.687 1.00 15.82 H new ATOM 1917 N MET B 250 -1.216 -13.367 -16.978 1.00 15.05 N ATOM 1918 CA MET B 250 -1.043 -12.189 -16.143 1.00 14.34 C ATOM 1919 C MET B 250 -2.328 -11.901 -15.381 1.00 13.28 C ATOM 1920 O MET B 250 -2.636 -10.752 -15.053 1.00 12.74 O ATOM 1921 CB MET B 250 -0.646 -10.986 -17.004 1.00 14.93 C ATOM 1922 CG MET B 250 -1.622 -10.694 -18.134 1.00 15.52 C ATOM 1923 SD MET B 250 -1.090 -9.326 -19.182 1.00 16.05 S ATOM 1924 CE MET B 250 0.486 -9.944 -19.770 1.00 16.80 C ATOM 0 H MET B 250 -2.092 -13.385 -17.500 1.00 15.05 H new ATOM 0 HA MET B 250 -0.246 -12.375 -15.424 1.00 14.34 H new ATOM 0 HB2 MET B 250 -0.567 -10.105 -16.367 1.00 14.93 H new ATOM 0 HB3 MET B 250 0.343 -11.163 -17.427 1.00 14.93 H new ATOM 0 HG2 MET B 250 -1.741 -11.589 -18.745 1.00 15.52 H new ATOM 0 HG3 MET B 250 -2.600 -10.463 -17.712 1.00 15.52 H new ATOM 0 HE1 MET B 250 0.631 -9.642 -20.807 1.00 16.80 H new ATOM 0 HE2 MET B 250 1.289 -9.534 -19.157 1.00 16.80 H new ATOM 0 HE3 MET B 250 0.498 -11.032 -19.704 1.00 16.80 H new ATOM 1934 N GLU B 251 -3.077 -12.959 -15.112 1.00 13.13 N ATOM 1935 CA GLU B 251 -4.337 -12.839 -14.402 1.00 12.32 C ATOM 1936 C GLU B 251 -4.087 -12.582 -12.924 1.00 11.39 C ATOM 1937 O GLU B 251 -3.185 -13.170 -12.327 1.00 11.50 O ATOM 1938 CB GLU B 251 -5.180 -14.102 -14.585 1.00 12.74 C ATOM 1939 CG GLU B 251 -6.588 -13.971 -14.031 1.00 12.69 C ATOM 1940 CD GLU B 251 -7.318 -12.779 -14.611 1.00 13.07 C ATOM 1941 OE1 GLU B 251 -7.892 -12.907 -15.712 1.00 13.21 O ATOM 1942 OE2 GLU B 251 -7.331 -11.709 -13.964 1.00 13.35 O ATOM 0 H GLU B 251 -2.831 -13.913 -15.377 1.00 13.13 H new ATOM 0 HA GLU B 251 -4.887 -11.994 -14.817 1.00 12.32 H new ATOM 0 HB2 GLU B 251 -5.236 -14.342 -15.647 1.00 12.74 H new ATOM 0 HB3 GLU B 251 -4.681 -14.938 -14.095 1.00 12.74 H new ATOM 0 HG2 GLU B 251 -7.149 -14.880 -14.248 1.00 12.69 H new ATOM 0 HG3 GLU B 251 -6.543 -13.876 -12.946 1.00 12.69 H new ATOM 1949 N SER B 252 -4.905 -11.722 -12.341 1.00 10.65 N ATOM 1950 CA SER B 252 -4.743 -11.322 -10.953 1.00 9.85 C ATOM 1951 C SER B 252 -5.397 -12.330 -10.005 1.00 8.78 C ATOM 1952 O SER B 252 -6.196 -11.963 -9.139 1.00 7.90 O ATOM 1953 CB SER B 252 -5.336 -9.926 -10.755 1.00 10.04 C ATOM 1954 OG SER B 252 -4.653 -8.972 -11.555 1.00 10.66 O ATOM 0 H SER B 252 -5.696 -11.283 -12.813 1.00 10.65 H new ATOM 0 HA SER B 252 -3.679 -11.298 -10.716 1.00 9.85 H new ATOM 0 HB2 SER B 252 -6.394 -9.935 -11.015 1.00 10.04 H new ATOM 0 HB3 SER B 252 -5.268 -9.642 -9.705 1.00 10.04 H new ATOM 0 HG SER B 252 -3.695 -8.999 -11.350 1.00 10.66 H new ATOM 1960 N GLU B 253 -5.049 -13.603 -10.175 1.00 9.06 N ATOM 1961 CA GLU B 253 -5.578 -14.665 -9.329 1.00 8.41 C ATOM 1962 C GLU B 253 -4.987 -14.568 -7.933 1.00 7.74 C ATOM 1963 O GLU B 253 -5.692 -14.695 -6.931 1.00 6.93 O ATOM 1964 CB GLU B 253 -5.255 -16.038 -9.918 1.00 9.32 C ATOM 1965 CG GLU B 253 -5.937 -16.317 -11.244 1.00 9.85 C ATOM 1966 CD GLU B 253 -5.589 -17.684 -11.792 1.00 10.54 C ATOM 1967 OE1 GLU B 253 -6.221 -18.679 -11.372 1.00 10.75 O ATOM 1968 OE2 GLU B 253 -4.687 -17.772 -12.647 1.00 11.03 O ATOM 0 H GLU B 253 -4.400 -13.923 -10.894 1.00 9.06 H new ATOM 0 HA GLU B 253 -6.660 -14.546 -9.276 1.00 8.41 H new ATOM 0 HB2 GLU B 253 -4.176 -16.120 -10.052 1.00 9.32 H new ATOM 0 HB3 GLU B 253 -5.547 -16.807 -9.202 1.00 9.32 H new ATOM 0 HG2 GLU B 253 -7.017 -16.243 -11.117 1.00 9.85 H new ATOM 0 HG3 GLU B 253 -5.648 -15.554 -11.967 1.00 9.85 H new ATOM 1975 N GLU B 254 -3.688 -14.319 -7.877 1.00 8.32 N ATOM 1976 CA GLU B 254 -2.980 -14.260 -6.615 1.00 8.15 C ATOM 1977 C GLU B 254 -3.260 -12.935 -5.921 1.00 7.31 C ATOM 1978 O GLU B 254 -3.397 -12.886 -4.701 1.00 6.99 O ATOM 1979 CB GLU B 254 -1.465 -14.460 -6.811 1.00 9.33 C ATOM 1980 CG GLU B 254 -0.759 -13.338 -7.559 1.00 10.25 C ATOM 1981 CD GLU B 254 -1.130 -13.269 -9.025 1.00 10.57 C ATOM 1982 OE1 GLU B 254 -2.138 -12.611 -9.357 1.00 10.61 O ATOM 1983 OE2 GLU B 254 -0.415 -13.872 -9.848 1.00 10.94 O ATOM 0 H GLU B 254 -3.104 -14.154 -8.697 1.00 8.32 H new ATOM 0 HA GLU B 254 -3.341 -15.073 -5.985 1.00 8.15 H new ATOM 0 HB2 GLU B 254 -0.999 -14.573 -5.832 1.00 9.33 H new ATOM 0 HB3 GLU B 254 -1.304 -15.393 -7.350 1.00 9.33 H new ATOM 0 HG2 GLU B 254 -1.001 -12.387 -7.085 1.00 10.25 H new ATOM 0 HG3 GLU B 254 0.319 -13.474 -7.470 1.00 10.25 H new ATOM 1990 N GLU B 255 -3.386 -11.872 -6.715 1.00 7.27 N ATOM 1991 CA GLU B 255 -3.633 -10.532 -6.184 1.00 6.83 C ATOM 1992 C GLU B 255 -4.944 -10.467 -5.404 1.00 5.68 C ATOM 1993 O GLU B 255 -5.135 -9.568 -4.583 1.00 5.42 O ATOM 1994 CB GLU B 255 -3.650 -9.499 -7.308 1.00 7.52 C ATOM 1995 CG GLU B 255 -2.311 -9.321 -8.004 1.00 8.71 C ATOM 1996 CD GLU B 255 -2.368 -8.282 -9.104 1.00 9.38 C ATOM 1997 OE1 GLU B 255 -2.444 -7.078 -8.788 1.00 9.82 O ATOM 1998 OE2 GLU B 255 -2.319 -8.666 -10.292 1.00 9.65 O ATOM 0 H GLU B 255 -3.321 -11.914 -7.732 1.00 7.27 H new ATOM 0 HA GLU B 255 -2.817 -10.302 -5.499 1.00 6.83 H new ATOM 0 HB2 GLU B 255 -4.396 -9.793 -8.047 1.00 7.52 H new ATOM 0 HB3 GLU B 255 -3.967 -8.539 -6.900 1.00 7.52 H new ATOM 0 HG2 GLU B 255 -1.559 -9.030 -7.271 1.00 8.71 H new ATOM 0 HG3 GLU B 255 -1.993 -10.275 -8.425 1.00 8.71 H new ATOM 2005 N SER B 256 -5.839 -11.418 -5.688 1.00 5.35 N ATOM 2006 CA SER B 256 -7.103 -11.566 -4.968 1.00 4.55 C ATOM 2007 C SER B 256 -8.105 -10.478 -5.352 1.00 4.09 C ATOM 2008 O SER B 256 -7.756 -9.308 -5.525 1.00 4.17 O ATOM 2009 CB SER B 256 -6.869 -11.568 -3.449 1.00 4.73 C ATOM 2010 OG SER B 256 -8.078 -11.775 -2.737 1.00 5.13 O ATOM 0 H SER B 256 -5.705 -12.108 -6.427 1.00 5.35 H new ATOM 0 HA SER B 256 -7.530 -12.526 -5.257 1.00 4.55 H new ATOM 0 HB2 SER B 256 -6.155 -12.350 -3.191 1.00 4.73 H new ATOM 0 HB3 SER B 256 -6.425 -10.619 -3.147 1.00 4.73 H new ATOM 0 HG SER B 256 -7.895 -11.773 -1.774 1.00 5.13 H new ATOM 2016 N ASP B 257 -9.359 -10.883 -5.496 1.00 4.14 N ATOM 2017 CA ASP B 257 -10.444 -9.954 -5.779 1.00 4.42 C ATOM 2018 C ASP B 257 -11.028 -9.443 -4.470 1.00 4.11 C ATOM 2019 O ASP B 257 -11.817 -8.499 -4.446 1.00 4.54 O ATOM 2020 CB ASP B 257 -11.532 -10.629 -6.619 1.00 5.14 C ATOM 2021 CG ASP B 257 -11.021 -11.091 -7.969 1.00 5.67 C ATOM 2022 OD1 ASP B 257 -10.970 -10.271 -8.907 1.00 5.89 O ATOM 2023 OD2 ASP B 257 -10.662 -12.281 -8.102 1.00 6.20 O ATOM 0 H ASP B 257 -9.652 -11.857 -5.421 1.00 4.14 H new ATOM 0 HA ASP B 257 -10.049 -9.114 -6.351 1.00 4.42 H new ATOM 0 HB2 ASP B 257 -11.930 -11.484 -6.073 1.00 5.14 H new ATOM 0 HB3 ASP B 257 -12.358 -9.933 -6.766 1.00 5.14 H new ATOM 2028 N ASP B 258 -10.626 -10.090 -3.383 1.00 3.83 N ATOM 2029 CA ASP B 258 -11.006 -9.686 -2.031 1.00 4.02 C ATOM 2030 C ASP B 258 -10.037 -8.618 -1.515 1.00 3.23 C ATOM 2031 O ASP B 258 -10.183 -8.103 -0.403 1.00 3.61 O ATOM 2032 CB ASP B 258 -10.999 -10.925 -1.116 1.00 4.65 C ATOM 2033 CG ASP B 258 -11.253 -10.618 0.351 1.00 5.54 C ATOM 2034 OD1 ASP B 258 -12.392 -10.242 0.704 1.00 5.91 O ATOM 2035 OD2 ASP B 258 -10.314 -10.763 1.165 1.00 6.14 O ATOM 0 H ASP B 258 -10.025 -10.913 -3.412 1.00 3.83 H new ATOM 0 HA ASP B 258 -12.008 -9.258 -2.037 1.00 4.02 H new ATOM 0 HB2 ASP B 258 -11.758 -11.625 -1.466 1.00 4.65 H new ATOM 0 HB3 ASP B 258 -10.036 -11.426 -1.209 1.00 4.65 H new ATOM 2040 N ASP B 259 -9.048 -8.298 -2.356 1.00 2.42 N ATOM 2041 CA ASP B 259 -7.958 -7.370 -2.024 1.00 1.79 C ATOM 2042 C ASP B 259 -6.931 -8.070 -1.144 1.00 1.13 C ATOM 2043 O ASP B 259 -5.732 -7.880 -1.313 1.00 1.31 O ATOM 2044 CB ASP B 259 -8.461 -6.069 -1.382 1.00 1.99 C ATOM 2045 CG ASP B 259 -9.025 -5.097 -2.402 1.00 2.65 C ATOM 2046 OD1 ASP B 259 -8.233 -4.352 -3.021 1.00 3.05 O ATOM 2047 OD2 ASP B 259 -10.260 -5.072 -2.596 1.00 3.32 O ATOM 0 H ASP B 259 -8.980 -8.680 -3.299 1.00 2.42 H new ATOM 0 HA ASP B 259 -7.479 -7.074 -2.958 1.00 1.79 H new ATOM 0 HB2 ASP B 259 -9.230 -6.305 -0.646 1.00 1.99 H new ATOM 0 HB3 ASP B 259 -7.641 -5.592 -0.845 1.00 1.99 H new ATOM 2052 N GLY B 260 -7.423 -8.846 -0.187 1.00 0.78 N ATOM 2053 CA GLY B 260 -6.635 -9.904 0.421 1.00 0.59 C ATOM 2054 C GLY B 260 -5.446 -9.469 1.266 1.00 0.57 C ATOM 2055 O GLY B 260 -4.517 -10.256 1.448 1.00 0.84 O ATOM 0 H GLY B 260 -8.369 -8.760 0.185 1.00 0.78 H new ATOM 0 HA2 GLY B 260 -7.296 -10.504 1.046 1.00 0.59 H new ATOM 0 HA3 GLY B 260 -6.269 -10.555 -0.373 1.00 0.59 H new ATOM 2059 N PHE B 261 -5.444 -8.250 1.790 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.318 -7.786 2.593 1.00 0.48 C ATOM 2061 C PHE B 261 -4.786 -7.315 3.960 1.00 0.66 C ATOM 2062 O PHE B 261 -5.956 -6.993 4.151 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.576 -6.628 1.919 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.200 -6.846 0.483 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -2.992 -8.112 -0.028 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.075 -5.767 -0.360 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.671 -8.291 -1.355 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.754 -5.939 -1.687 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.553 -7.202 -2.187 1.00 0.62 C ATOM 0 H PHE B 261 -6.198 -7.572 1.676 1.00 0.48 H new ATOM 0 HA PHE B 261 -3.642 -8.635 2.696 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.199 -5.736 1.981 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.668 -6.423 2.486 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.082 -8.971 0.620 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.231 -4.770 0.025 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.512 -9.286 -1.743 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.660 -5.080 -2.335 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.303 -7.340 -3.229 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.857 -7.263 4.895 1.00 0.55 N ATOM 2080 CA VAL B 262 -4.109 -6.715 6.218 1.00 0.67 C ATOM 2081 C VAL B 262 -2.895 -5.886 6.633 1.00 0.54 C ATOM 2082 O VAL B 262 -1.818 -6.037 6.051 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.370 -7.838 7.253 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -3.088 -8.584 7.589 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -5.022 -7.285 8.512 1.00 1.14 C ATOM 0 H VAL B 262 -2.904 -7.600 4.760 1.00 0.55 H new ATOM 0 HA VAL B 262 -5.002 -6.091 6.185 1.00 0.67 H new ATOM 0 HB VAL B 262 -5.063 -8.548 6.801 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -3.302 -9.366 8.318 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -2.681 -9.034 6.683 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -2.361 -7.888 8.007 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -5.193 -8.096 9.220 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -4.366 -6.541 8.964 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.974 -6.821 8.255 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.048 -4.995 7.596 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.911 -4.232 8.066 1.00 0.55 C ATOM 2097 C GLU B 263 -1.389 -4.825 9.373 1.00 0.56 C ATOM 2098 O GLU B 263 -2.113 -4.932 10.363 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.241 -2.731 8.189 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.271 -2.334 9.240 1.00 1.21 C ATOM 2101 CD GLU B 263 -4.681 -2.822 8.960 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -4.957 -4.009 9.209 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -5.517 -2.033 8.472 1.00 2.20 O ATOM 0 H GLU B 263 -3.932 -4.786 8.059 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.114 -4.303 7.326 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -1.315 -2.197 8.403 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.594 -2.381 7.219 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -2.952 -2.722 10.207 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -3.286 -1.247 9.322 1.00 1.21 H new ATOM 2110 N VAL B 264 -0.129 -5.242 9.356 1.00 0.65 N ATOM 2111 CA VAL B 264 0.454 -5.963 10.475 1.00 0.82 C ATOM 2112 C VAL B 264 1.463 -5.105 11.221 1.00 1.08 C ATOM 2113 O VAL B 264 2.544 -4.814 10.705 1.00 1.31 O ATOM 2114 CB VAL B 264 1.155 -7.259 10.009 1.00 1.01 C ATOM 2115 CG1 VAL B 264 1.610 -8.082 11.204 1.00 1.41 C ATOM 2116 CG2 VAL B 264 0.238 -8.078 9.112 1.00 1.31 C ATOM 0 H VAL B 264 0.509 -5.091 8.575 1.00 0.65 H new ATOM 0 HA VAL B 264 -0.369 -6.218 11.142 1.00 0.82 H new ATOM 0 HB VAL B 264 2.035 -6.979 9.430 1.00 1.01 H new ATOM 0 HG11 VAL B 264 2.101 -8.990 10.855 1.00 1.41 H new ATOM 0 HG12 VAL B 264 2.310 -7.498 11.802 1.00 1.41 H new ATOM 0 HG13 VAL B 264 0.746 -8.348 11.813 1.00 1.41 H new ATOM 0 HG21 VAL B 264 0.753 -8.985 8.797 1.00 1.31 H new ATOM 0 HG22 VAL B 264 -0.665 -8.346 9.662 1.00 1.31 H new ATOM 0 HG23 VAL B 264 -0.032 -7.491 8.235 1.00 1.31 H new ATOM 2126 N ASP B 265 1.099 -4.700 12.425 1.00 1.21 N ATOM 2127 CA ASP B 265 2.002 -3.972 13.300 1.00 1.59 C ATOM 2128 C ASP B 265 1.798 -4.437 14.729 1.00 1.83 C ATOM 2129 O ASP B 265 2.752 -4.978 15.322 1.00 2.02 O ATOM 2130 CB ASP B 265 1.784 -2.459 13.209 1.00 1.75 C ATOM 2131 CG ASP B 265 2.688 -1.695 14.161 1.00 2.35 C ATOM 2132 OD1 ASP B 265 3.909 -1.615 13.903 1.00 3.04 O ATOM 2133 OD2 ASP B 265 2.183 -1.158 15.172 1.00 2.67 O ATOM 2134 OXT ASP B 265 0.666 -4.296 15.240 1.00 2.32 O ATOM 0 H ASP B 265 0.174 -4.865 12.822 1.00 1.21 H new ATOM 0 HA ASP B 265 3.024 -4.177 12.981 1.00 1.59 H new ATOM 0 HB2 ASP B 265 1.970 -2.127 12.188 1.00 1.75 H new ATOM 0 HB3 ASP B 265 0.743 -2.229 13.435 1.00 1.75 H new TER 2139 ASP B 265