USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 862 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 Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.554) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.158 USER MOD Single : A 31 SER OG : rot -101:sc= 1.08 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -0.638 (180deg=-2.68!) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.21) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -147:sc= 1.16 USER MOD Single : A 48 ASN : amide:sc= -1.35! X(o=-1.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 150:sc= -1.98! (180deg=-3.77!) USER MOD Single : A 53 CYS SG : rot 60:sc= 1.2 USER MOD Single : A 55 SER OG : rot 81:sc= 1.05 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0445 (180deg=-0.27) USER MOD Single : A 72 SER OG : rot 168:sc= 1.26 USER MOD Single : A 78 HIS : no HE2:sc= 0.654 K(o=0.65,f=-2.1!) USER MOD Single : A 84 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc=-0.000304 USER MOD Single : B 19 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.49) USER MOD Single : B 28 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 29 TYR OH : rot 165:sc= -0.119 USER MOD Single : B 31 SER OG : rot -95:sc= 1.09 USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 139:sc= -0.626 (180deg=-2.63!) USER MOD Single : B 37 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.16) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot -147:sc= 1.14 USER MOD Single : B 48 ASN : amide:sc= -1.32! X(o=-1.3!,f=-1.1) USER MOD Single : B 51 MET CE :methyl 148:sc= -1.88 (180deg=-3.65!) USER MOD Single : B 53 CYS SG : rot 59:sc= 1.14 USER MOD Single : B 55 SER OG : rot 81:sc= 1.06 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 166:sc= -0.0512 (180deg=-0.283) USER MOD Single : B 72 SER OG : rot 168:sc= 1.26 USER MOD Single : B 78 HIS : no HE2:sc= 0.647 K(o=0.65,f=-2.2!) USER MOD Single : B 84 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.592 -7.928 6.610 1.00 0.93 N ATOM 49 CA ALA A 17 -7.363 -7.529 5.928 1.00 0.81 C ATOM 50 C ALA A 17 -6.133 -7.839 6.778 1.00 0.69 C ATOM 51 O ALA A 17 -5.691 -7.016 7.584 1.00 0.70 O ATOM 52 CB ALA A 17 -7.406 -6.051 5.557 1.00 1.09 C ATOM 0 HA ALA A 17 -7.288 -8.110 5.009 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.481 -5.776 5.050 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.251 -5.867 4.894 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.516 -5.452 6.461 1.00 1.09 H new ATOM 58 N SER A 18 -5.584 -9.029 6.600 1.00 0.64 N ATOM 59 CA SER A 18 -4.418 -9.445 7.361 1.00 0.61 C ATOM 60 C SER A 18 -3.174 -8.716 6.857 1.00 0.50 C ATOM 61 O SER A 18 -3.155 -8.243 5.719 1.00 0.45 O ATOM 62 CB SER A 18 -4.228 -10.958 7.246 1.00 0.66 C ATOM 63 OG SER A 18 -5.468 -11.637 7.386 1.00 1.32 O ATOM 0 H SER A 18 -5.927 -9.723 5.936 1.00 0.64 H new ATOM 0 HA SER A 18 -4.572 -9.190 8.410 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.783 -11.200 6.281 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.533 -11.300 8.012 1.00 0.66 H new ATOM 0 HG SER A 18 -5.323 -12.603 7.307 1.00 1.32 H new ATOM 69 N LYS A 19 -2.147 -8.622 7.695 1.00 0.50 N ATOM 70 CA LYS A 19 -0.927 -7.895 7.341 1.00 0.43 C ATOM 71 C LYS A 19 -0.375 -8.362 5.994 1.00 0.34 C ATOM 72 O LYS A 19 -0.129 -7.552 5.095 1.00 0.28 O ATOM 73 CB LYS A 19 0.135 -8.082 8.429 1.00 0.54 C ATOM 74 CG LYS A 19 -0.283 -7.567 9.797 1.00 0.84 C ATOM 75 CD LYS A 19 -0.356 -6.048 9.830 1.00 1.12 C ATOM 76 CE LYS A 19 -0.750 -5.539 11.207 1.00 1.73 C ATOM 77 NZ LYS A 19 0.156 -6.049 12.272 1.00 2.10 N ATOM 0 H LYS A 19 -2.132 -9.040 8.625 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.180 -6.838 7.260 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.375 -9.142 8.509 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.048 -7.571 8.123 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -1.255 -7.984 10.061 1.00 0.84 H new ATOM 0 HG3 LYS A 19 0.427 -7.913 10.548 1.00 0.84 H new ATOM 0 HD2 LYS A 19 0.611 -5.630 9.549 1.00 1.12 H new ATOM 0 HD3 LYS A 19 -1.079 -5.701 9.092 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.733 -4.449 11.209 1.00 1.73 H new ATOM 0 HE3 LYS A 19 -1.774 -5.843 11.426 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 0.019 -5.492 13.140 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.061 -7.048 12.463 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 1.144 -5.963 11.958 1.00 2.10 H new ATOM 91 N GLU A 20 -0.216 -9.674 5.858 1.00 0.41 N ATOM 92 CA GLU A 20 0.320 -10.276 4.640 1.00 0.41 C ATOM 93 C GLU A 20 -0.558 -9.965 3.427 1.00 0.34 C ATOM 94 O GLU A 20 -0.060 -9.787 2.317 1.00 0.30 O ATOM 95 CB GLU A 20 0.446 -11.793 4.821 1.00 0.57 C ATOM 96 CG GLU A 20 -0.865 -12.470 5.199 1.00 0.64 C ATOM 97 CD GLU A 20 -0.717 -13.956 5.440 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.056 -14.341 6.429 1.00 1.49 O ATOM 99 OE2 GLU A 20 -1.270 -14.746 4.651 1.00 1.57 O ATOM 0 H GLU A 20 -0.454 -10.349 6.585 1.00 0.41 H new ATOM 0 HA GLU A 20 1.305 -9.847 4.458 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.819 -12.232 3.895 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.188 -11.999 5.593 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.264 -12.000 6.098 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.593 -12.307 4.404 1.00 0.64 H new ATOM 106 N GLU A 21 -1.860 -9.876 3.656 1.00 0.37 N ATOM 107 CA GLU A 21 -2.828 -9.672 2.587 1.00 0.39 C ATOM 108 C GLU A 21 -2.819 -8.226 2.114 1.00 0.32 C ATOM 109 O GLU A 21 -2.956 -7.949 0.921 1.00 0.34 O ATOM 110 CB GLU A 21 -4.214 -10.068 3.084 1.00 0.50 C ATOM 111 CG GLU A 21 -4.288 -11.528 3.494 1.00 0.61 C ATOM 112 CD GLU A 21 -5.540 -11.876 4.263 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.215 -10.954 4.769 1.00 1.49 O ATOM 114 OE2 GLU A 21 -5.826 -13.079 4.401 1.00 1.54 O ATOM 0 H GLU A 21 -2.275 -9.943 4.585 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.557 -10.297 1.736 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.485 -9.441 3.933 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -4.946 -9.876 2.300 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.235 -12.151 2.601 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.418 -11.770 4.104 1.00 0.61 H new ATOM 121 N ILE A 22 -2.650 -7.306 3.053 1.00 0.30 N ATOM 122 CA ILE A 22 -2.535 -5.895 2.721 1.00 0.28 C ATOM 123 C ILE A 22 -1.255 -5.654 1.937 1.00 0.24 C ATOM 124 O ILE A 22 -1.271 -5.039 0.871 1.00 0.26 O ATOM 125 CB ILE A 22 -2.531 -5.013 3.985 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.808 -5.252 4.794 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.399 -3.542 3.605 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.793 -4.609 6.161 1.00 0.44 C ATOM 0 H ILE A 22 -2.590 -7.512 4.050 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.402 -5.624 2.118 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.674 -5.283 4.602 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.660 -4.869 4.232 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.958 -6.325 4.909 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.398 -2.932 4.508 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.466 -3.389 3.062 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.239 -3.253 2.973 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.731 -4.822 6.674 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.962 -5.009 6.742 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.675 -3.531 6.055 1.00 0.44 H new ATOM 135 N ALA A 23 -0.150 -6.173 2.465 1.00 0.20 N ATOM 136 CA ALA A 23 1.144 -6.047 1.814 1.00 0.19 C ATOM 137 C ALA A 23 1.120 -6.700 0.439 1.00 0.20 C ATOM 138 O ALA A 23 1.785 -6.237 -0.485 1.00 0.20 O ATOM 139 CB ALA A 23 2.233 -6.660 2.678 1.00 0.20 C ATOM 0 H ALA A 23 -0.129 -6.686 3.346 1.00 0.20 H new ATOM 0 HA ALA A 23 1.362 -4.987 1.683 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.196 -6.558 2.177 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.268 -6.146 3.639 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.018 -7.716 2.839 1.00 0.20 H new ATOM 145 N ALA A 24 0.341 -7.770 0.314 1.00 0.22 N ATOM 146 CA ALA A 24 0.156 -8.447 -0.962 1.00 0.25 C ATOM 147 C ALA A 24 -0.361 -7.475 -2.017 1.00 0.24 C ATOM 148 O ALA A 24 0.186 -7.382 -3.112 1.00 0.25 O ATOM 149 CB ALA A 24 -0.801 -9.619 -0.803 1.00 0.31 C ATOM 0 H ALA A 24 -0.175 -8.188 1.088 1.00 0.22 H new ATOM 0 HA ALA A 24 1.122 -8.828 -1.294 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.930 -10.116 -1.764 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.393 -10.326 -0.081 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.766 -9.255 -0.450 1.00 0.31 H new ATOM 155 N LEU A 25 -1.405 -6.734 -1.672 1.00 0.23 N ATOM 156 CA LEU A 25 -1.963 -5.739 -2.579 1.00 0.23 C ATOM 157 C LEU A 25 -0.984 -4.597 -2.806 1.00 0.22 C ATOM 158 O LEU A 25 -0.882 -4.070 -3.914 1.00 0.25 O ATOM 159 CB LEU A 25 -3.275 -5.184 -2.031 1.00 0.26 C ATOM 160 CG LEU A 25 -4.459 -6.145 -2.071 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.663 -5.509 -1.404 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.787 -6.528 -3.507 1.00 0.44 C ATOM 0 H LEU A 25 -1.882 -6.802 -0.773 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.154 -6.233 -3.532 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.115 -4.874 -0.998 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.536 -4.289 -2.596 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.194 -7.052 -1.528 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.505 -6.201 -1.436 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.424 -5.277 -0.366 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.927 -4.591 -1.929 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.634 -7.214 -3.516 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.040 -5.632 -4.074 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.923 -7.013 -3.961 1.00 0.44 H new ATOM 174 N ILE A 26 -0.269 -4.224 -1.753 1.00 0.21 N ATOM 175 CA ILE A 26 0.701 -3.140 -1.829 1.00 0.22 C ATOM 176 C ILE A 26 1.818 -3.467 -2.822 1.00 0.20 C ATOM 177 O ILE A 26 2.110 -2.673 -3.720 1.00 0.23 O ATOM 178 CB ILE A 26 1.306 -2.829 -0.441 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.205 -2.367 0.524 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.393 -1.771 -0.559 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.701 -2.081 1.926 1.00 0.27 C ATOM 0 H ILE A 26 -0.343 -4.658 -0.833 1.00 0.21 H new ATOM 0 HA ILE A 26 0.169 -2.256 -2.181 1.00 0.22 H new ATOM 0 HB ILE A 26 1.757 -3.739 -0.044 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.262 -1.467 0.123 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.568 -3.134 0.572 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.808 -1.564 0.427 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.183 -2.133 -1.217 1.00 0.25 H new ATOM 0 HG23 ILE A 26 1.967 -0.857 -0.973 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.134 -1.760 2.549 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.142 -2.984 2.347 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.453 -1.292 1.892 1.00 0.27 H new ATOM 188 N VAL A 27 2.425 -4.643 -2.681 1.00 0.18 N ATOM 189 CA VAL A 27 3.502 -5.043 -3.579 1.00 0.20 C ATOM 190 C VAL A 27 2.963 -5.304 -4.985 1.00 0.22 C ATOM 191 O VAL A 27 3.642 -5.039 -5.977 1.00 0.24 O ATOM 192 CB VAL A 27 4.277 -6.285 -3.068 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.875 -6.014 -1.696 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.400 -7.528 -3.033 1.00 0.21 C ATOM 0 H VAL A 27 2.192 -5.328 -1.962 1.00 0.18 H new ATOM 0 HA VAL A 27 4.207 -4.212 -3.609 1.00 0.20 H new ATOM 0 HB VAL A 27 5.086 -6.477 -3.773 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.415 -6.897 -1.354 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.562 -5.170 -1.759 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.077 -5.781 -0.991 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.983 -8.374 -2.669 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.553 -7.357 -2.368 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.035 -7.744 -4.037 1.00 0.21 H new ATOM 198 N ASN A 28 1.728 -5.798 -5.063 1.00 0.26 N ATOM 199 CA ASN A 28 1.075 -6.048 -6.348 1.00 0.32 C ATOM 200 C ASN A 28 0.805 -4.730 -7.068 1.00 0.27 C ATOM 201 O ASN A 28 0.846 -4.657 -8.295 1.00 0.29 O ATOM 202 CB ASN A 28 -0.236 -6.814 -6.137 1.00 0.45 C ATOM 203 CG ASN A 28 -0.922 -7.194 -7.438 1.00 0.68 C ATOM 204 OD1 ASN A 28 -0.272 -7.406 -8.463 1.00 1.59 O ATOM 205 ND2 ASN A 28 -2.242 -7.286 -7.408 1.00 0.86 N ATOM 0 H ASN A 28 1.158 -6.033 -4.250 1.00 0.26 H new ATOM 0 HA ASN A 28 1.739 -6.654 -6.965 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.033 -7.718 -5.563 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.914 -6.204 -5.541 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.755 -7.540 -8.252 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -2.746 -7.103 -6.540 1.00 0.86 H new ATOM 212 N TYR A 29 0.541 -3.691 -6.290 1.00 0.25 N ATOM 213 CA TYR A 29 0.309 -2.361 -6.832 1.00 0.24 C ATOM 214 C TYR A 29 1.594 -1.788 -7.424 1.00 0.19 C ATOM 215 O TYR A 29 1.618 -1.355 -8.575 1.00 0.19 O ATOM 216 CB TYR A 29 -0.238 -1.436 -5.739 1.00 0.29 C ATOM 217 CG TYR A 29 -0.295 0.022 -6.132 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.185 0.472 -7.100 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.548 0.950 -5.534 1.00 1.20 C ATOM 220 CE1 TYR A 29 -1.229 1.805 -7.461 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.508 2.282 -5.888 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.381 2.706 -6.851 1.00 0.43 C ATOM 223 OH TYR A 29 -0.419 4.034 -7.205 1.00 0.50 O ATOM 0 H TYR A 29 0.482 -3.745 -5.273 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.429 -2.435 -7.631 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.240 -1.767 -5.467 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.383 -1.537 -4.849 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.852 -0.231 -7.577 1.00 1.23 H new ATOM 0 HD2 TYR A 29 1.247 0.623 -4.779 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -1.924 2.140 -8.217 1.00 1.25 H new ATOM 0 HE2 TYR A 29 1.171 2.990 -5.412 1.00 1.22 H new ATOM 0 HH TYR A 29 0.056 4.566 -6.532 1.00 0.50 H new ATOM 233 N PHE A 30 2.663 -1.806 -6.638 1.00 0.16 N ATOM 234 CA PHE A 30 3.946 -1.272 -7.083 1.00 0.16 C ATOM 235 C PHE A 30 4.465 -2.025 -8.305 1.00 0.18 C ATOM 236 O PHE A 30 4.913 -1.413 -9.277 1.00 0.21 O ATOM 237 CB PHE A 30 4.980 -1.336 -5.959 1.00 0.19 C ATOM 238 CG PHE A 30 4.714 -0.396 -4.817 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.291 0.903 -5.049 1.00 1.18 C ATOM 240 CD2 PHE A 30 4.905 -0.810 -3.509 1.00 1.19 C ATOM 241 CE1 PHE A 30 4.061 1.768 -3.999 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.677 0.052 -2.456 1.00 1.22 C ATOM 243 CZ PHE A 30 4.255 1.343 -2.701 1.00 0.25 C ATOM 0 H PHE A 30 2.668 -2.184 -5.691 1.00 0.16 H new ATOM 0 HA PHE A 30 3.787 -0.230 -7.360 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.017 -2.355 -5.574 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.964 -1.116 -6.374 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.140 1.242 -6.063 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.236 -1.819 -3.311 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.729 2.777 -4.193 1.00 1.17 H new ATOM 0 HE2 PHE A 30 4.829 -0.283 -1.441 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.077 2.019 -1.878 1.00 0.25 H new ATOM 253 N SER A 31 4.379 -3.349 -8.263 1.00 0.21 N ATOM 254 CA SER A 31 4.865 -4.176 -9.360 1.00 0.27 C ATOM 255 C SER A 31 4.016 -3.981 -10.614 1.00 0.25 C ATOM 256 O SER A 31 4.469 -4.238 -11.728 1.00 0.27 O ATOM 257 CB SER A 31 4.885 -5.649 -8.948 1.00 0.35 C ATOM 258 OG SER A 31 3.636 -6.047 -8.411 1.00 1.15 O ATOM 0 H SER A 31 3.979 -3.871 -7.484 1.00 0.21 H new ATOM 0 HA SER A 31 5.883 -3.865 -9.593 1.00 0.27 H new ATOM 0 HB2 SER A 31 5.126 -6.268 -9.812 1.00 0.35 H new ATOM 0 HB3 SER A 31 5.670 -5.812 -8.210 1.00 0.35 H new ATOM 0 HG SER A 31 3.691 -6.064 -7.433 1.00 1.15 H new ATOM 264 N SER A 32 2.786 -3.516 -10.432 1.00 0.27 N ATOM 265 CA SER A 32 1.899 -3.254 -11.554 1.00 0.30 C ATOM 266 C SER A 32 2.366 -2.018 -12.319 1.00 0.28 C ATOM 267 O SER A 32 2.385 -2.006 -13.554 1.00 0.35 O ATOM 268 CB SER A 32 0.459 -3.065 -11.059 1.00 0.40 C ATOM 269 OG SER A 32 -0.454 -2.974 -12.143 1.00 0.99 O ATOM 0 H SER A 32 2.382 -3.313 -9.518 1.00 0.27 H new ATOM 0 HA SER A 32 1.925 -4.110 -12.229 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.181 -3.900 -10.416 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.397 -2.162 -10.452 1.00 0.40 H new ATOM 0 HG SER A 32 -1.363 -2.856 -11.796 1.00 0.99 H new ATOM 275 N ILE A 33 2.776 -0.992 -11.581 1.00 0.24 N ATOM 276 CA ILE A 33 3.192 0.267 -12.184 1.00 0.26 C ATOM 277 C ILE A 33 4.471 0.083 -12.998 1.00 0.26 C ATOM 278 O ILE A 33 4.622 0.659 -14.081 1.00 0.31 O ATOM 279 CB ILE A 33 3.429 1.363 -11.124 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.300 1.375 -10.090 1.00 0.30 C ATOM 281 CG2 ILE A 33 3.530 2.724 -11.798 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.534 2.349 -8.954 1.00 0.34 C ATOM 0 H ILE A 33 2.829 -1.009 -10.563 1.00 0.24 H new ATOM 0 HA ILE A 33 2.379 0.583 -12.838 1.00 0.26 H new ATOM 0 HB ILE A 33 4.364 1.146 -10.609 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.364 1.628 -10.588 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.182 0.372 -9.680 1.00 0.30 H new ATOM 0 HG21 ILE A 33 3.697 3.492 -11.043 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.362 2.720 -12.503 1.00 0.43 H new ATOM 0 HG23 ILE A 33 2.603 2.935 -12.332 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.696 2.305 -8.259 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.453 2.084 -8.431 1.00 0.34 H new ATOM 0 HD13 ILE A 33 2.622 3.359 -9.353 1.00 0.34 H new ATOM 289 N VAL A 34 5.389 -0.726 -12.479 1.00 0.24 N ATOM 290 CA VAL A 34 6.646 -0.987 -13.169 1.00 0.31 C ATOM 291 C VAL A 34 6.433 -1.961 -14.325 1.00 0.37 C ATOM 292 O VAL A 34 7.164 -1.930 -15.314 1.00 0.47 O ATOM 293 CB VAL A 34 7.735 -1.535 -12.214 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.965 -0.579 -11.055 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.375 -2.919 -11.697 1.00 0.33 C ATOM 0 H VAL A 34 5.286 -1.210 -11.587 1.00 0.24 H new ATOM 0 HA VAL A 34 6.997 -0.032 -13.560 1.00 0.31 H new ATOM 0 HB VAL A 34 8.660 -1.620 -12.784 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.734 -0.984 -10.397 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.289 0.388 -11.440 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.037 -0.455 -10.496 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.160 -3.274 -11.030 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.432 -2.870 -11.153 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.275 -3.606 -12.537 1.00 0.33 H new ATOM 299 N GLU A 35 5.411 -2.807 -14.200 1.00 0.35 N ATOM 300 CA GLU A 35 5.074 -3.769 -15.242 1.00 0.46 C ATOM 301 C GLU A 35 4.630 -3.041 -16.503 1.00 0.50 C ATOM 302 O GLU A 35 5.109 -3.321 -17.601 1.00 0.61 O ATOM 303 CB GLU A 35 3.958 -4.702 -14.761 1.00 0.50 C ATOM 304 CG GLU A 35 3.718 -5.898 -15.667 1.00 0.70 C ATOM 305 CD GLU A 35 4.876 -6.877 -15.658 1.00 1.49 C ATOM 306 OE1 GLU A 35 5.821 -6.694 -16.450 1.00 2.19 O ATOM 307 OE2 GLU A 35 4.844 -7.835 -14.858 1.00 2.22 O ATOM 0 H GLU A 35 4.801 -2.843 -13.383 1.00 0.35 H new ATOM 0 HA GLU A 35 5.960 -4.363 -15.467 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.204 -5.060 -13.761 1.00 0.50 H new ATOM 0 HB3 GLU A 35 3.033 -4.132 -14.677 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.810 -6.412 -15.352 1.00 0.70 H new ATOM 0 HG3 GLU A 35 3.549 -5.549 -16.686 1.00 0.70 H new ATOM 314 N LYS A 36 3.723 -2.085 -16.331 1.00 0.47 N ATOM 315 CA LYS A 36 3.226 -1.294 -17.452 1.00 0.54 C ATOM 316 C LYS A 36 4.193 -0.161 -17.789 1.00 0.50 C ATOM 317 O LYS A 36 3.974 0.604 -18.727 1.00 0.60 O ATOM 318 CB LYS A 36 1.828 -0.744 -17.144 1.00 0.67 C ATOM 319 CG LYS A 36 1.765 0.129 -15.898 1.00 0.71 C ATOM 320 CD LYS A 36 0.329 0.410 -15.454 1.00 0.97 C ATOM 321 CE LYS A 36 -0.369 1.459 -16.318 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.710 0.964 -17.681 1.00 2.08 N ATOM 0 H LYS A 36 3.317 -1.839 -15.428 1.00 0.47 H new ATOM 0 HA LYS A 36 3.154 -1.944 -18.324 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.481 -0.164 -17.999 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.138 -1.580 -17.025 1.00 0.67 H new ATOM 0 HG2 LYS A 36 2.304 -0.361 -15.087 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.273 1.073 -16.093 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.243 -0.517 -15.485 1.00 0.97 H new ATOM 0 HD3 LYS A 36 0.334 0.746 -14.417 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -1.281 1.784 -15.818 1.00 1.42 H new ATOM 0 HE3 LYS A 36 0.275 2.334 -16.407 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.634 1.346 -17.968 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 0.018 1.275 -18.355 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.753 -0.075 -17.672 1.00 2.08 H new ATOM 336 N LYS A 37 5.262 -0.080 -16.993 1.00 0.47 N ATOM 337 CA LYS A 37 6.358 0.868 -17.200 1.00 0.54 C ATOM 338 C LYS A 37 5.848 2.308 -17.255 1.00 0.59 C ATOM 339 O LYS A 37 6.244 3.093 -18.116 1.00 0.75 O ATOM 340 CB LYS A 37 7.128 0.516 -18.483 1.00 0.71 C ATOM 341 CG LYS A 37 8.512 1.147 -18.570 1.00 1.18 C ATOM 342 CD LYS A 37 9.419 0.658 -17.452 1.00 1.41 C ATOM 343 CE LYS A 37 10.781 1.329 -17.500 1.00 1.98 C ATOM 344 NZ LYS A 37 11.577 0.922 -18.689 1.00 2.60 N ATOM 0 H LYS A 37 5.392 -0.678 -16.177 1.00 0.47 H new ATOM 0 HA LYS A 37 7.036 0.792 -16.350 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.230 -0.567 -18.547 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.541 0.833 -19.345 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.961 0.910 -19.534 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.422 2.232 -18.519 1.00 1.18 H new ATOM 0 HD2 LYS A 37 8.949 0.857 -16.489 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.542 -0.422 -17.530 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.649 2.411 -17.509 1.00 1.98 H new ATOM 0 HE3 LYS A 37 11.335 1.083 -16.594 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 12.533 1.327 -18.622 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 11.642 -0.115 -18.725 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 11.114 1.270 -19.553 1.00 2.60 H new ATOM 358 N GLU A 38 4.976 2.654 -16.320 1.00 0.54 N ATOM 359 CA GLU A 38 4.374 3.979 -16.303 1.00 0.68 C ATOM 360 C GLU A 38 5.100 4.875 -15.307 1.00 0.69 C ATOM 361 O GLU A 38 4.995 6.101 -15.354 1.00 1.03 O ATOM 362 CB GLU A 38 2.889 3.874 -15.953 1.00 0.79 C ATOM 363 CG GLU A 38 2.131 5.184 -16.091 1.00 1.36 C ATOM 364 CD GLU A 38 0.641 5.008 -15.919 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.164 5.041 -14.768 1.00 2.12 O ATOM 366 OE2 GLU A 38 -0.060 4.825 -16.936 1.00 1.86 O ATOM 0 H GLU A 38 4.670 2.039 -15.566 1.00 0.54 H new ATOM 0 HA GLU A 38 4.466 4.424 -17.294 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.425 3.127 -16.598 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.791 3.515 -14.928 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.498 5.893 -15.349 1.00 1.36 H new ATOM 0 HG3 GLU A 38 2.332 5.616 -17.071 1.00 1.36 H new ATOM 373 N ILE A 39 5.841 4.253 -14.407 1.00 0.42 N ATOM 374 CA ILE A 39 6.597 4.993 -13.410 1.00 0.43 C ATOM 375 C ILE A 39 8.025 5.223 -13.897 1.00 0.48 C ATOM 376 O ILE A 39 8.555 4.434 -14.683 1.00 0.51 O ATOM 377 CB ILE A 39 6.612 4.254 -12.049 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.257 5.127 -10.968 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.336 2.919 -12.169 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.175 4.541 -9.578 1.00 0.47 C ATOM 0 H ILE A 39 5.936 3.239 -14.345 1.00 0.42 H new ATOM 0 HA ILE A 39 6.107 5.956 -13.265 1.00 0.43 H new ATOM 0 HB ILE A 39 5.581 4.055 -11.756 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.305 5.288 -11.222 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.775 6.104 -10.969 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.335 2.416 -11.202 1.00 0.36 H new ATOM 0 HG22 ILE A 39 6.828 2.294 -12.903 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.364 3.090 -12.488 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.653 5.217 -8.869 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.129 4.406 -9.301 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.683 3.577 -9.559 1.00 0.47 H new ATOM 387 N SER A 40 8.622 6.319 -13.446 1.00 0.54 N ATOM 388 CA SER A 40 9.994 6.651 -13.789 1.00 0.62 C ATOM 389 C SER A 40 10.944 5.540 -13.339 1.00 0.53 C ATOM 390 O SER A 40 10.809 4.989 -12.244 1.00 0.48 O ATOM 391 CB SER A 40 10.366 7.982 -13.141 1.00 0.76 C ATOM 392 OG SER A 40 9.471 9.003 -13.554 1.00 1.82 O ATOM 0 H SER A 40 8.169 6.998 -12.835 1.00 0.54 H new ATOM 0 HA SER A 40 10.084 6.745 -14.871 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.340 7.885 -12.056 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.386 8.253 -13.412 1.00 0.76 H new ATOM 0 HG SER A 40 9.722 9.850 -13.129 1.00 1.82 H new ATOM 398 N GLU A 41 11.907 5.232 -14.203 1.00 0.59 N ATOM 399 CA GLU A 41 12.775 4.066 -14.047 1.00 0.60 C ATOM 400 C GLU A 41 13.615 4.135 -12.776 1.00 0.49 C ATOM 401 O GLU A 41 13.959 3.102 -12.197 1.00 0.46 O ATOM 402 CB GLU A 41 13.673 3.927 -15.274 1.00 0.78 C ATOM 403 CG GLU A 41 12.882 3.874 -16.570 1.00 1.07 C ATOM 404 CD GLU A 41 13.749 3.681 -17.793 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.370 4.665 -18.244 1.00 2.19 O ATOM 406 OE2 GLU A 41 13.798 2.550 -18.321 1.00 1.99 O ATOM 0 H GLU A 41 12.109 5.786 -15.035 1.00 0.59 H new ATOM 0 HA GLU A 41 12.137 3.187 -13.957 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.367 4.767 -15.310 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.273 3.022 -15.181 1.00 0.78 H new ATOM 0 HG2 GLU A 41 12.160 3.060 -16.513 1.00 1.07 H new ATOM 0 HG3 GLU A 41 12.313 4.798 -16.678 1.00 1.07 H new ATOM 413 N ASP A 42 13.937 5.347 -12.344 1.00 0.52 N ATOM 414 CA ASP A 42 14.663 5.543 -11.095 1.00 0.52 C ATOM 415 C ASP A 42 13.788 5.144 -9.917 1.00 0.43 C ATOM 416 O ASP A 42 14.222 4.419 -9.020 1.00 0.47 O ATOM 417 CB ASP A 42 15.108 6.999 -10.946 1.00 0.62 C ATOM 418 CG ASP A 42 16.263 7.355 -11.857 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.015 7.759 -13.013 1.00 2.21 O ATOM 420 OD2 ASP A 42 17.424 7.247 -11.415 1.00 2.30 O ATOM 0 H ASP A 42 13.707 6.209 -12.839 1.00 0.52 H new ATOM 0 HA ASP A 42 15.552 4.913 -11.112 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.265 7.656 -11.162 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.398 7.182 -9.911 1.00 0.62 H new ATOM 425 N GLY A 43 12.547 5.616 -9.936 1.00 0.39 N ATOM 426 CA GLY A 43 11.595 5.257 -8.906 1.00 0.37 C ATOM 427 C GLY A 43 11.247 3.782 -8.947 1.00 0.34 C ATOM 428 O GLY A 43 11.004 3.166 -7.912 1.00 0.35 O ATOM 0 H GLY A 43 12.183 6.245 -10.652 1.00 0.39 H new ATOM 0 HA2 GLY A 43 12.007 5.506 -7.928 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.687 5.848 -9.029 1.00 0.37 H new ATOM 432 N ALA A 44 11.231 3.220 -10.150 1.00 0.33 N ATOM 433 CA ALA A 44 10.993 1.794 -10.330 1.00 0.33 C ATOM 434 C ALA A 44 12.050 0.981 -9.594 1.00 0.32 C ATOM 435 O ALA A 44 11.742 -0.017 -8.946 1.00 0.31 O ATOM 436 CB ALA A 44 10.985 1.440 -11.810 1.00 0.38 C ATOM 0 H ALA A 44 11.381 3.733 -11.019 1.00 0.33 H new ATOM 0 HA ALA A 44 10.017 1.551 -9.911 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.806 0.371 -11.928 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.195 1.998 -12.313 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.948 1.697 -12.251 1.00 0.38 H new ATOM 442 N ASP A 45 13.296 1.435 -9.682 1.00 0.36 N ATOM 443 CA ASP A 45 14.401 0.781 -8.990 1.00 0.38 C ATOM 444 C ASP A 45 14.228 0.895 -7.484 1.00 0.36 C ATOM 445 O ASP A 45 14.463 -0.059 -6.742 1.00 0.37 O ATOM 446 CB ASP A 45 15.736 1.395 -9.404 1.00 0.48 C ATOM 447 CG ASP A 45 16.900 0.773 -8.666 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.235 -0.395 -8.955 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.484 1.448 -7.793 1.00 1.81 O ATOM 0 H ASP A 45 13.566 2.254 -10.226 1.00 0.36 H new ATOM 0 HA ASP A 45 14.397 -0.273 -9.269 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.877 1.266 -10.477 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.717 2.468 -9.212 1.00 0.48 H new ATOM 454 N SER A 46 13.801 2.068 -7.041 1.00 0.38 N ATOM 455 CA SER A 46 13.534 2.303 -5.633 1.00 0.41 C ATOM 456 C SER A 46 12.413 1.383 -5.142 1.00 0.36 C ATOM 457 O SER A 46 12.433 0.911 -4.007 1.00 0.39 O ATOM 458 CB SER A 46 13.174 3.774 -5.419 1.00 0.51 C ATOM 459 OG SER A 46 14.155 4.616 -6.006 1.00 0.98 O ATOM 0 H SER A 46 13.632 2.875 -7.641 1.00 0.38 H new ATOM 0 HA SER A 46 14.428 2.076 -5.052 1.00 0.41 H new ATOM 0 HB2 SER A 46 12.198 3.983 -5.857 1.00 0.51 H new ATOM 0 HB3 SER A 46 13.097 3.984 -4.352 1.00 0.51 H new ATOM 0 HG SER A 46 14.246 5.433 -5.473 1.00 0.98 H new ATOM 465 N LEU A 47 11.447 1.108 -6.011 1.00 0.32 N ATOM 466 CA LEU A 47 10.370 0.184 -5.679 1.00 0.30 C ATOM 467 C LEU A 47 10.876 -1.251 -5.639 1.00 0.27 C ATOM 468 O LEU A 47 10.325 -2.084 -4.928 1.00 0.29 O ATOM 469 CB LEU A 47 9.216 0.301 -6.680 1.00 0.30 C ATOM 470 CG LEU A 47 8.384 1.581 -6.577 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.258 1.564 -7.598 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.826 1.740 -5.170 1.00 0.41 C ATOM 0 H LEU A 47 11.388 1.510 -6.947 1.00 0.32 H new ATOM 0 HA LEU A 47 10.002 0.453 -4.689 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.624 0.234 -7.688 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.554 -0.554 -6.546 1.00 0.30 H new ATOM 0 HG LEU A 47 9.030 2.433 -6.790 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.675 2.481 -7.512 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.678 1.493 -8.601 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.612 0.705 -7.413 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.237 2.655 -5.114 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.193 0.885 -4.931 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.648 1.793 -4.456 1.00 0.41 H new ATOM 484 N ASN A 48 11.928 -1.534 -6.396 1.00 0.26 N ATOM 485 CA ASN A 48 12.509 -2.873 -6.429 1.00 0.26 C ATOM 486 C ASN A 48 13.167 -3.211 -5.095 1.00 0.28 C ATOM 487 O ASN A 48 12.899 -4.264 -4.516 1.00 0.32 O ATOM 488 CB ASN A 48 13.530 -3.002 -7.565 1.00 0.28 C ATOM 489 CG ASN A 48 12.892 -3.027 -8.943 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.460 -2.511 -9.908 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.727 -3.650 -9.056 1.00 0.40 N ATOM 0 H ASN A 48 12.397 -0.856 -6.996 1.00 0.26 H new ATOM 0 HA ASN A 48 11.700 -3.580 -6.610 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.231 -2.169 -7.511 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.109 -3.915 -7.423 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.269 -3.715 -9.965 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.288 -4.065 -8.234 1.00 0.40 H new ATOM 498 N VAL A 49 14.017 -2.316 -4.599 1.00 0.27 N ATOM 499 CA VAL A 49 14.656 -2.529 -3.304 1.00 0.29 C ATOM 500 C VAL A 49 13.611 -2.507 -2.190 1.00 0.30 C ATOM 501 O VAL A 49 13.698 -3.265 -1.223 1.00 0.32 O ATOM 502 CB VAL A 49 15.775 -1.490 -3.019 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.244 -0.067 -3.043 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.455 -1.778 -1.686 1.00 0.36 C ATOM 0 H VAL A 49 14.277 -1.448 -5.067 1.00 0.27 H new ATOM 0 HA VAL A 49 15.131 -3.510 -3.334 1.00 0.29 H new ATOM 0 HB VAL A 49 16.512 -1.583 -3.817 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.058 0.629 -2.839 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.821 0.147 -4.025 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.471 0.046 -2.283 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.235 -1.038 -1.508 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.719 -1.729 -0.884 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.899 -2.773 -1.711 1.00 0.36 H new ATOM 508 N ALA A 50 12.601 -1.659 -2.352 1.00 0.30 N ATOM 509 CA ALA A 50 11.504 -1.585 -1.400 1.00 0.34 C ATOM 510 C ALA A 50 10.688 -2.871 -1.420 1.00 0.34 C ATOM 511 O ALA A 50 10.194 -3.314 -0.390 1.00 0.37 O ATOM 512 CB ALA A 50 10.615 -0.391 -1.704 1.00 0.37 C ATOM 0 H ALA A 50 12.521 -1.012 -3.137 1.00 0.30 H new ATOM 0 HA ALA A 50 11.925 -1.459 -0.403 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.800 -0.351 -0.982 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.202 0.525 -1.639 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.205 -0.489 -2.709 1.00 0.37 H new ATOM 518 N MET A 51 10.572 -3.467 -2.600 1.00 0.34 N ATOM 519 CA MET A 51 9.807 -4.696 -2.791 1.00 0.39 C ATOM 520 C MET A 51 10.328 -5.802 -1.886 1.00 0.31 C ATOM 521 O MET A 51 9.559 -6.470 -1.190 1.00 0.30 O ATOM 522 CB MET A 51 9.902 -5.136 -4.251 1.00 0.52 C ATOM 523 CG MET A 51 8.883 -6.186 -4.650 1.00 0.62 C ATOM 524 SD MET A 51 7.192 -5.585 -4.501 1.00 0.65 S ATOM 525 CE MET A 51 7.343 -3.971 -5.267 1.00 0.41 C ATOM 0 H MET A 51 11.005 -3.113 -3.453 1.00 0.34 H new ATOM 0 HA MET A 51 8.766 -4.502 -2.533 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.777 -4.263 -4.891 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.902 -5.527 -4.437 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.067 -6.496 -5.679 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.009 -7.069 -4.023 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.396 -3.699 -5.732 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.601 -3.231 -4.509 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.125 -4.000 -6.026 1.00 0.41 H new ATOM 535 N ASP A 52 11.643 -5.982 -1.899 1.00 0.31 N ATOM 536 CA ASP A 52 12.293 -6.949 -1.024 1.00 0.32 C ATOM 537 C ASP A 52 12.020 -6.607 0.431 1.00 0.28 C ATOM 538 O ASP A 52 11.693 -7.477 1.235 1.00 0.30 O ATOM 539 CB ASP A 52 13.804 -6.968 -1.263 1.00 0.42 C ATOM 540 CG ASP A 52 14.195 -7.644 -2.560 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.224 -6.967 -3.610 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.501 -8.855 -2.533 1.00 1.84 O ATOM 0 H ASP A 52 12.281 -5.470 -2.508 1.00 0.31 H new ATOM 0 HA ASP A 52 11.886 -7.935 -1.250 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.177 -5.944 -1.268 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.290 -7.481 -0.433 1.00 0.42 H new ATOM 547 N CYS A 53 12.133 -5.326 0.749 1.00 0.27 N ATOM 548 CA CYS A 53 11.950 -4.843 2.110 1.00 0.27 C ATOM 549 C CYS A 53 10.530 -5.105 2.617 1.00 0.29 C ATOM 550 O CYS A 53 10.350 -5.598 3.728 1.00 0.36 O ATOM 551 CB CYS A 53 12.267 -3.351 2.174 1.00 0.36 C ATOM 552 SG CYS A 53 13.956 -2.941 1.674 1.00 1.05 S ATOM 0 H CYS A 53 12.353 -4.594 0.074 1.00 0.27 H new ATOM 0 HA CYS A 53 12.635 -5.390 2.758 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.568 -2.813 1.534 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.104 -2.998 3.192 1.00 0.36 H new ATOM 0 HG CYS A 53 14.152 -3.328 0.448 1.00 1.05 H new ATOM 558 N ILE A 54 9.532 -4.781 1.797 1.00 0.26 N ATOM 559 CA ILE A 54 8.132 -4.997 2.163 1.00 0.29 C ATOM 560 C ILE A 54 7.873 -6.478 2.415 1.00 0.30 C ATOM 561 O ILE A 54 7.338 -6.861 3.458 1.00 0.33 O ATOM 562 CB ILE A 54 7.167 -4.503 1.057 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.410 -3.024 0.745 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.718 -4.720 1.483 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.682 -2.536 -0.494 1.00 0.34 C ATOM 0 H ILE A 54 9.666 -4.368 0.874 1.00 0.26 H new ATOM 0 HA ILE A 54 7.946 -4.423 3.071 1.00 0.29 H new ATOM 0 HB ILE A 54 7.359 -5.081 0.153 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.096 -2.425 1.600 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.480 -2.860 0.616 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.051 -4.368 0.696 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.545 -5.782 1.657 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.521 -4.165 2.400 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.901 -1.480 -0.653 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.013 -3.109 -1.360 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.608 -2.668 -0.361 1.00 0.34 H new ATOM 572 N SER A 55 8.279 -7.302 1.459 1.00 0.30 N ATOM 573 CA SER A 55 8.086 -8.742 1.547 1.00 0.36 C ATOM 574 C SER A 55 8.790 -9.308 2.781 1.00 0.38 C ATOM 575 O SER A 55 8.205 -10.080 3.545 1.00 0.41 O ATOM 576 CB SER A 55 8.617 -9.404 0.274 1.00 0.40 C ATOM 577 OG SER A 55 8.043 -8.811 -0.882 1.00 0.80 O ATOM 0 H SER A 55 8.748 -6.994 0.607 1.00 0.30 H new ATOM 0 HA SER A 55 7.021 -8.953 1.644 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.702 -9.310 0.236 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.390 -10.470 0.292 1.00 0.40 H new ATOM 0 HG SER A 55 8.515 -7.978 -1.091 1.00 0.80 H new ATOM 583 N GLU A 56 10.037 -8.892 2.981 1.00 0.39 N ATOM 584 CA GLU A 56 10.839 -9.340 4.115 1.00 0.48 C ATOM 585 C GLU A 56 10.209 -8.919 5.439 1.00 0.43 C ATOM 586 O GLU A 56 10.155 -9.701 6.387 1.00 0.46 O ATOM 587 CB GLU A 56 12.251 -8.760 4.001 1.00 0.60 C ATOM 588 CG GLU A 56 13.177 -9.140 5.143 1.00 0.83 C ATOM 589 CD GLU A 56 14.521 -8.457 5.029 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.651 -7.310 5.502 1.00 2.38 O ATOM 591 OE2 GLU A 56 15.452 -9.053 4.449 1.00 2.66 O ATOM 0 H GLU A 56 10.519 -8.238 2.364 1.00 0.39 H new ATOM 0 HA GLU A 56 10.884 -10.429 4.096 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.694 -9.095 3.063 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.182 -7.673 3.951 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.713 -8.872 6.092 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.318 -10.221 5.152 1.00 0.83 H new ATOM 598 N ALA A 57 9.722 -7.685 5.489 1.00 0.39 N ATOM 599 CA ALA A 57 9.145 -7.128 6.706 1.00 0.39 C ATOM 600 C ALA A 57 7.941 -7.933 7.180 1.00 0.33 C ATOM 601 O ALA A 57 7.772 -8.167 8.376 1.00 0.39 O ATOM 602 CB ALA A 57 8.750 -5.676 6.480 1.00 0.42 C ATOM 0 H ALA A 57 9.716 -7.047 4.694 1.00 0.39 H new ATOM 0 HA ALA A 57 9.904 -7.179 7.487 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.320 -5.269 7.395 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.632 -5.098 6.205 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.015 -5.620 5.677 1.00 0.42 H new ATOM 608 N PHE A 58 7.112 -8.365 6.241 1.00 0.29 N ATOM 609 CA PHE A 58 5.905 -9.106 6.579 1.00 0.28 C ATOM 610 C PHE A 58 6.159 -10.611 6.595 1.00 0.30 C ATOM 611 O PHE A 58 5.325 -11.388 7.066 1.00 0.38 O ATOM 612 CB PHE A 58 4.784 -8.767 5.597 1.00 0.26 C ATOM 613 CG PHE A 58 4.221 -7.385 5.777 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.934 -6.267 5.373 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.975 -7.204 6.350 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.416 -4.999 5.539 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.450 -5.938 6.519 1.00 1.22 C ATOM 618 CZ PHE A 58 3.171 -4.834 6.113 1.00 0.28 C ATOM 0 H PHE A 58 7.252 -8.216 5.242 1.00 0.29 H new ATOM 0 HA PHE A 58 5.601 -8.809 7.583 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.162 -8.866 4.579 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.981 -9.495 5.711 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.908 -6.390 4.922 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.405 -8.064 6.669 1.00 1.24 H new ATOM 0 HE1 PHE A 58 4.983 -4.137 5.221 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.476 -5.812 6.968 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.763 -3.843 6.244 1.00 0.28 H new ATOM 628 N GLY A 59 7.309 -11.014 6.074 1.00 0.34 N ATOM 629 CA GLY A 59 7.707 -12.405 6.132 1.00 0.39 C ATOM 630 C GLY A 59 7.110 -13.245 5.021 1.00 0.38 C ATOM 631 O GLY A 59 6.705 -14.383 5.250 1.00 0.43 O ATOM 0 H GLY A 59 7.977 -10.398 5.610 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.794 -12.467 6.081 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.408 -12.822 7.094 1.00 0.39 H new ATOM 635 N PHE A 60 7.044 -12.694 3.819 1.00 0.35 N ATOM 636 CA PHE A 60 6.560 -13.448 2.672 1.00 0.39 C ATOM 637 C PHE A 60 7.426 -13.154 1.456 1.00 0.40 C ATOM 638 O PHE A 60 8.201 -12.199 1.456 1.00 0.42 O ATOM 639 CB PHE A 60 5.083 -13.131 2.374 1.00 0.40 C ATOM 640 CG PHE A 60 4.824 -11.758 1.806 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.565 -10.683 2.638 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.824 -11.551 0.434 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.313 -9.429 2.114 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.575 -10.300 -0.094 1.00 1.22 C ATOM 645 CZ PHE A 60 4.320 -9.237 0.747 1.00 0.33 C ATOM 0 H PHE A 60 7.318 -11.733 3.612 1.00 0.35 H new ATOM 0 HA PHE A 60 6.627 -14.510 2.909 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.702 -13.874 1.674 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.511 -13.239 3.296 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.560 -10.825 3.709 1.00 1.22 H new ATOM 0 HD2 PHE A 60 5.021 -12.380 -0.230 1.00 1.19 H new ATOM 0 HE1 PHE A 60 4.110 -8.599 2.775 1.00 1.20 H new ATOM 0 HE2 PHE A 60 4.580 -10.154 -1.164 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.126 -8.257 0.337 1.00 0.33 H new ATOM 655 N GLU A 61 7.307 -13.984 0.435 1.00 0.48 N ATOM 656 CA GLU A 61 8.068 -13.795 -0.790 1.00 0.55 C ATOM 657 C GLU A 61 7.220 -13.094 -1.839 1.00 0.50 C ATOM 658 O GLU A 61 6.018 -13.338 -1.949 1.00 0.48 O ATOM 659 CB GLU A 61 8.555 -15.141 -1.328 1.00 0.70 C ATOM 660 CG GLU A 61 9.531 -15.846 -0.405 1.00 0.81 C ATOM 661 CD GLU A 61 10.748 -15.001 -0.092 1.00 1.48 C ATOM 662 OE1 GLU A 61 11.547 -14.734 -1.015 1.00 2.33 O ATOM 663 OE2 GLU A 61 10.919 -14.611 1.081 1.00 2.05 O ATOM 0 H GLU A 61 6.690 -14.797 0.429 1.00 0.48 H new ATOM 0 HA GLU A 61 8.933 -13.172 -0.563 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.694 -15.789 -1.496 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.031 -14.985 -2.296 1.00 0.70 H new ATOM 0 HG2 GLU A 61 9.024 -16.105 0.524 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.851 -16.781 -0.865 1.00 0.81 H new ATOM 670 N ARG A 62 7.870 -12.233 -2.616 1.00 0.54 N ATOM 671 CA ARG A 62 7.211 -11.444 -3.658 1.00 0.53 C ATOM 672 C ARG A 62 6.555 -12.344 -4.704 1.00 0.53 C ATOM 673 O ARG A 62 5.675 -11.913 -5.439 1.00 0.64 O ATOM 674 CB ARG A 62 8.235 -10.536 -4.345 1.00 0.63 C ATOM 675 CG ARG A 62 9.238 -11.313 -5.182 1.00 1.40 C ATOM 676 CD ARG A 62 10.239 -10.413 -5.883 1.00 1.46 C ATOM 677 NE ARG A 62 11.041 -11.167 -6.848 1.00 2.25 N ATOM 678 CZ ARG A 62 12.315 -10.899 -7.141 1.00 2.60 C ATOM 679 NH1 ARG A 62 12.935 -9.880 -6.561 1.00 2.13 N ATOM 680 NH2 ARG A 62 12.966 -11.649 -8.020 1.00 3.67 N ATOM 0 H ARG A 62 8.873 -12.060 -2.542 1.00 0.54 H new ATOM 0 HA ARG A 62 6.436 -10.842 -3.184 1.00 0.53 H new ATOM 0 HB2 ARG A 62 7.712 -9.822 -4.981 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.768 -9.959 -3.589 1.00 0.63 H new ATOM 0 HG2 ARG A 62 9.773 -12.015 -4.542 1.00 1.40 H new ATOM 0 HG3 ARG A 62 8.704 -11.904 -5.926 1.00 1.40 H new ATOM 0 HD2 ARG A 62 9.712 -9.607 -6.394 1.00 1.46 H new ATOM 0 HD3 ARG A 62 10.894 -9.949 -5.146 1.00 1.46 H new ATOM 0 HE ARG A 62 10.596 -11.949 -7.328 1.00 2.25 H new ATOM 0 HH11 ARG A 62 12.438 -9.297 -5.888 1.00 2.13 H new ATOM 0 HH12 ARG A 62 13.909 -9.679 -6.788 1.00 2.13 H new ATOM 0 HH21 ARG A 62 12.493 -12.431 -8.473 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.940 -11.444 -8.244 1.00 3.67 H new ATOM 694 N GLU A 63 6.996 -13.592 -4.766 1.00 0.58 N ATOM 695 CA GLU A 63 6.461 -14.545 -5.726 1.00 0.64 C ATOM 696 C GLU A 63 5.197 -15.202 -5.185 1.00 0.63 C ATOM 697 O GLU A 63 4.425 -15.795 -5.934 1.00 0.75 O ATOM 698 CB GLU A 63 7.505 -15.615 -6.046 1.00 0.74 C ATOM 699 CG GLU A 63 8.802 -15.056 -6.609 1.00 1.70 C ATOM 700 CD GLU A 63 8.595 -14.257 -7.880 1.00 2.53 C ATOM 701 OE1 GLU A 63 8.206 -14.854 -8.907 1.00 3.12 O ATOM 702 OE2 GLU A 63 8.838 -13.032 -7.866 1.00 3.20 O ATOM 0 H GLU A 63 7.725 -13.969 -4.161 1.00 0.58 H new ATOM 0 HA GLU A 63 6.210 -14.005 -6.639 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.726 -16.177 -5.139 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.082 -16.319 -6.762 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.274 -14.421 -5.859 1.00 1.70 H new ATOM 0 HG3 GLU A 63 9.489 -15.878 -6.810 1.00 1.70 H new ATOM 709 N ALA A 64 4.979 -15.069 -3.883 1.00 0.55 N ATOM 710 CA ALA A 64 3.866 -15.737 -3.222 1.00 0.60 C ATOM 711 C ALA A 64 2.653 -14.820 -3.107 1.00 0.54 C ATOM 712 O ALA A 64 1.614 -15.224 -2.588 1.00 0.57 O ATOM 713 CB ALA A 64 4.289 -16.228 -1.847 1.00 0.67 C ATOM 0 H ALA A 64 5.559 -14.504 -3.263 1.00 0.55 H new ATOM 0 HA ALA A 64 3.579 -16.593 -3.833 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.448 -16.725 -1.364 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.116 -16.931 -1.950 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.607 -15.380 -1.240 1.00 0.67 H new ATOM 719 N VAL A 65 2.782 -13.591 -3.601 1.00 0.51 N ATOM 720 CA VAL A 65 1.690 -12.622 -3.541 1.00 0.47 C ATOM 721 C VAL A 65 0.444 -13.150 -4.251 1.00 0.53 C ATOM 722 O VAL A 65 -0.678 -12.970 -3.775 1.00 0.54 O ATOM 723 CB VAL A 65 2.103 -11.252 -4.138 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.679 -11.403 -5.534 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.929 -10.288 -4.163 1.00 0.50 C ATOM 0 H VAL A 65 3.631 -13.243 -4.047 1.00 0.51 H new ATOM 0 HA VAL A 65 1.455 -12.474 -2.487 1.00 0.47 H new ATOM 0 HB VAL A 65 2.878 -10.842 -3.490 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.957 -10.423 -5.921 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.561 -12.042 -5.496 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.933 -11.853 -6.189 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.249 -9.336 -4.587 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.128 -10.706 -4.773 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.567 -10.130 -3.147 1.00 0.50 H new ATOM 729 N SER A 66 0.650 -13.832 -5.372 1.00 0.63 N ATOM 730 CA SER A 66 -0.450 -14.410 -6.128 1.00 0.75 C ATOM 731 C SER A 66 -1.163 -15.471 -5.291 1.00 0.76 C ATOM 732 O SER A 66 -2.390 -15.594 -5.327 1.00 0.84 O ATOM 733 CB SER A 66 0.077 -15.011 -7.437 1.00 0.89 C ATOM 734 OG SER A 66 -0.979 -15.455 -8.273 1.00 1.63 O ATOM 0 H SER A 66 1.572 -13.997 -5.776 1.00 0.63 H new ATOM 0 HA SER A 66 -1.169 -13.628 -6.371 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.671 -14.266 -7.966 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.740 -15.847 -7.213 1.00 0.89 H new ATOM 0 HG SER A 66 -0.607 -15.830 -9.098 1.00 1.63 H new ATOM 740 N GLY A 67 -0.385 -16.216 -4.517 1.00 0.73 N ATOM 741 CA GLY A 67 -0.943 -17.237 -3.657 1.00 0.75 C ATOM 742 C GLY A 67 -1.716 -16.648 -2.499 1.00 0.70 C ATOM 743 O GLY A 67 -2.770 -17.158 -2.135 1.00 0.76 O ATOM 0 H GLY A 67 0.630 -16.129 -4.471 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.601 -17.881 -4.240 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.139 -17.865 -3.273 1.00 0.75 H new ATOM 747 N ILE A 68 -1.194 -15.567 -1.928 1.00 0.63 N ATOM 748 CA ILE A 68 -1.860 -14.875 -0.827 1.00 0.59 C ATOM 749 C ILE A 68 -3.232 -14.364 -1.264 1.00 0.63 C ATOM 750 O ILE A 68 -4.238 -14.583 -0.586 1.00 0.71 O ATOM 751 CB ILE A 68 -1.013 -13.686 -0.317 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.352 -14.176 0.176 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.745 -12.940 0.794 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.273 -13.062 0.629 1.00 0.45 C ATOM 0 H ILE A 68 -0.308 -15.149 -2.210 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.981 -15.594 -0.017 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.856 -12.996 -1.146 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.202 -14.870 1.003 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.838 -14.734 -0.624 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.132 -12.107 1.139 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.693 -12.559 0.413 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.934 -13.619 1.625 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.220 -13.486 0.964 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.455 -12.380 -0.201 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.808 -12.517 1.451 1.00 0.45 H new ATOM 761 N LEU A 69 -3.263 -13.706 -2.415 1.00 0.62 N ATOM 762 CA LEU A 69 -4.499 -13.146 -2.951 1.00 0.67 C ATOM 763 C LEU A 69 -5.468 -14.254 -3.350 1.00 0.85 C ATOM 764 O LEU A 69 -6.679 -14.128 -3.175 1.00 1.14 O ATOM 765 CB LEU A 69 -4.183 -12.250 -4.152 1.00 0.62 C ATOM 766 CG LEU A 69 -3.242 -11.081 -3.847 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.838 -10.365 -5.126 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.902 -10.110 -2.877 1.00 0.45 C ATOM 0 H LEU A 69 -2.442 -13.546 -2.999 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.976 -12.546 -2.176 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.738 -12.861 -4.937 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -5.118 -11.853 -4.548 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.340 -11.479 -3.382 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -2.170 -9.538 -4.885 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.327 -11.064 -5.788 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.728 -9.979 -5.623 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.222 -9.284 -2.669 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.820 -9.722 -3.319 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -4.138 -10.628 -1.948 1.00 0.45 H new ATOM 780 N GLY A 70 -4.926 -15.345 -3.878 1.00 0.81 N ATOM 781 CA GLY A 70 -5.750 -16.478 -4.247 1.00 0.94 C ATOM 782 C GLY A 70 -6.264 -17.228 -3.033 1.00 0.99 C ATOM 783 O GLY A 70 -7.314 -17.872 -3.085 1.00 1.25 O ATOM 0 H GLY A 70 -3.929 -15.464 -4.057 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.594 -16.133 -4.844 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.172 -17.157 -4.874 1.00 0.94 H new ATOM 787 N LYS A 71 -5.522 -17.134 -1.939 1.00 0.87 N ATOM 788 CA LYS A 71 -5.868 -17.810 -0.698 1.00 0.98 C ATOM 789 C LYS A 71 -7.113 -17.199 -0.068 1.00 0.99 C ATOM 790 O LYS A 71 -8.107 -17.888 0.166 1.00 1.26 O ATOM 791 CB LYS A 71 -4.694 -17.725 0.282 1.00 1.11 C ATOM 792 CG LYS A 71 -4.979 -18.337 1.640 1.00 1.69 C ATOM 793 CD LYS A 71 -3.828 -18.110 2.606 1.00 2.11 C ATOM 794 CE LYS A 71 -4.115 -18.717 3.971 1.00 2.60 C ATOM 795 NZ LYS A 71 -4.358 -20.181 3.889 1.00 3.16 N ATOM 0 H LYS A 71 -4.663 -16.587 -1.887 1.00 0.87 H new ATOM 0 HA LYS A 71 -6.080 -18.855 -0.925 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -3.831 -18.225 -0.157 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -4.421 -16.678 0.417 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.891 -17.904 2.051 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -5.156 -19.407 1.528 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -2.917 -18.547 2.197 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -3.648 -17.040 2.713 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -3.274 -18.526 4.637 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -4.986 -18.229 4.409 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -4.331 -20.591 4.844 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -5.291 -20.355 3.464 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -3.622 -20.623 3.301 1.00 3.16 H new ATOM 809 N SER A 72 -7.056 -15.905 0.199 1.00 0.92 N ATOM 810 CA SER A 72 -8.146 -15.228 0.874 1.00 1.08 C ATOM 811 C SER A 72 -9.046 -14.504 -0.123 1.00 1.04 C ATOM 812 O SER A 72 -9.690 -15.138 -0.962 1.00 1.21 O ATOM 813 CB SER A 72 -7.583 -14.252 1.906 1.00 1.30 C ATOM 814 OG SER A 72 -6.745 -14.925 2.830 1.00 2.02 O ATOM 0 H SER A 72 -6.267 -15.305 -0.042 1.00 0.92 H new ATOM 0 HA SER A 72 -8.757 -15.972 1.385 1.00 1.08 H new ATOM 0 HB2 SER A 72 -7.019 -13.467 1.401 1.00 1.30 H new ATOM 0 HB3 SER A 72 -8.401 -13.766 2.437 1.00 1.30 H new ATOM 0 HG SER A 72 -6.251 -14.267 3.363 1.00 2.02 H new ATOM 820 N GLU A 73 -9.078 -13.185 -0.037 1.00 1.13 N ATOM 821 CA GLU A 73 -9.903 -12.381 -0.914 1.00 1.31 C ATOM 822 C GLU A 73 -9.050 -11.320 -1.606 1.00 1.26 C ATOM 823 O GLU A 73 -7.877 -11.561 -1.884 1.00 1.87 O ATOM 824 CB GLU A 73 -11.048 -11.746 -0.122 1.00 1.67 C ATOM 825 CG GLU A 73 -10.591 -11.001 1.116 1.00 1.87 C ATOM 826 CD GLU A 73 -11.738 -10.331 1.842 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.186 -9.262 1.382 1.00 2.64 O ATOM 828 OE2 GLU A 73 -12.208 -10.872 2.863 1.00 2.46 O ATOM 0 H GLU A 73 -8.536 -12.647 0.639 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.339 -13.018 -1.684 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.589 -11.057 -0.771 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.751 -12.525 0.172 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.093 -11.696 1.792 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -9.855 -10.249 0.833 1.00 1.87 H new ATOM 835 N PHE A 74 -9.649 -10.161 -1.881 1.00 1.04 N ATOM 836 CA PHE A 74 -8.977 -9.069 -2.582 1.00 1.02 C ATOM 837 C PHE A 74 -8.708 -9.471 -4.022 1.00 1.08 C ATOM 838 O PHE A 74 -7.721 -9.060 -4.635 1.00 1.45 O ATOM 839 CB PHE A 74 -7.677 -8.664 -1.874 1.00 0.94 C ATOM 840 CG PHE A 74 -7.879 -8.194 -0.459 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.532 -7.001 -0.199 1.00 1.18 C ATOM 842 CD2 PHE A 74 -7.415 -8.946 0.609 1.00 1.61 C ATOM 843 CE1 PHE A 74 -8.720 -6.564 1.096 1.00 1.25 C ATOM 844 CE2 PHE A 74 -7.601 -8.515 1.908 1.00 1.70 C ATOM 845 CZ PHE A 74 -8.254 -7.322 2.152 1.00 1.19 C ATOM 0 H PHE A 74 -10.614 -9.954 -1.624 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.633 -8.199 -2.574 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.995 -9.515 -1.871 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.195 -7.871 -2.445 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -8.899 -6.405 -1.021 1.00 1.18 H new ATOM 0 HD2 PHE A 74 -6.903 -9.879 0.423 1.00 1.61 H new ATOM 0 HE1 PHE A 74 -9.231 -5.631 1.283 1.00 1.25 H new ATOM 0 HE2 PHE A 74 -7.236 -9.110 2.732 1.00 1.70 H new ATOM 0 HZ PHE A 74 -8.400 -6.983 3.167 1.00 1.19 H new ATOM 901 N HIS A 78 -7.982 -4.431 -7.663 1.00 0.88 N ATOM 902 CA HIS A 78 -6.630 -4.192 -7.185 1.00 0.85 C ATOM 903 C HIS A 78 -6.662 -3.178 -6.053 1.00 0.69 C ATOM 904 O HIS A 78 -7.734 -2.693 -5.691 1.00 0.68 O ATOM 905 CB HIS A 78 -5.740 -3.680 -8.318 1.00 1.02 C ATOM 906 CG HIS A 78 -5.740 -4.557 -9.529 1.00 1.16 C ATOM 907 ND1 HIS A 78 -6.497 -4.287 -10.649 1.00 1.50 N ATOM 908 CD2 HIS A 78 -5.071 -5.701 -9.796 1.00 1.41 C ATOM 909 CE1 HIS A 78 -6.293 -5.227 -11.551 1.00 1.96 C ATOM 910 NE2 HIS A 78 -5.432 -6.097 -11.058 1.00 1.85 N ATOM 0 HA HIS A 78 -6.216 -5.132 -6.820 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.070 -2.681 -8.604 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.718 -3.584 -7.950 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -7.118 -3.486 -10.762 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -4.381 -6.208 -9.138 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -6.752 -5.276 -12.527 1.00 1.96 H new ATOM 919 N LEU A 79 -5.499 -2.847 -5.510 1.00 0.60 N ATOM 920 CA LEU A 79 -5.416 -1.909 -4.396 1.00 0.46 C ATOM 921 C LEU A 79 -6.076 -0.580 -4.755 1.00 0.44 C ATOM 922 O LEU A 79 -6.967 -0.109 -4.051 1.00 0.42 O ATOM 923 CB LEU A 79 -3.957 -1.669 -3.999 1.00 0.44 C ATOM 924 CG LEU A 79 -3.760 -0.799 -2.756 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.287 -1.509 -1.521 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.295 -0.437 -2.580 1.00 0.41 C ATOM 0 H LEU A 79 -4.599 -3.213 -5.822 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.946 -2.348 -3.551 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.479 -2.634 -3.828 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.440 -1.201 -4.837 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.325 0.123 -2.891 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.139 -0.876 -0.646 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.350 -1.714 -1.645 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.750 -2.448 -1.384 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.177 0.182 -1.690 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.706 -1.347 -2.469 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.949 0.115 -3.454 1.00 0.41 H new ATOM 938 N ALA A 80 -5.660 0.002 -5.870 1.00 0.50 N ATOM 939 CA ALA A 80 -6.178 1.296 -6.292 1.00 0.54 C ATOM 940 C ALA A 80 -7.664 1.219 -6.633 1.00 0.58 C ATOM 941 O ALA A 80 -8.399 2.190 -6.448 1.00 0.61 O ATOM 942 CB ALA A 80 -5.382 1.822 -7.470 1.00 0.63 C ATOM 0 H ALA A 80 -4.965 -0.401 -6.499 1.00 0.50 H new ATOM 0 HA ALA A 80 -6.069 1.990 -5.459 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.780 2.790 -7.775 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.337 1.934 -7.182 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.456 1.121 -8.301 1.00 0.63 H new ATOM 948 N ASP A 81 -8.103 0.064 -7.128 1.00 0.64 N ATOM 949 CA ASP A 81 -9.522 -0.160 -7.400 1.00 0.70 C ATOM 950 C ASP A 81 -10.304 -0.121 -6.100 1.00 0.60 C ATOM 951 O ASP A 81 -11.358 0.510 -6.005 1.00 0.67 O ATOM 952 CB ASP A 81 -9.753 -1.514 -8.076 1.00 0.78 C ATOM 953 CG ASP A 81 -9.183 -1.593 -9.473 1.00 1.52 C ATOM 954 OD1 ASP A 81 -9.784 -1.020 -10.402 1.00 2.30 O ATOM 955 OD2 ASP A 81 -8.133 -2.239 -9.657 1.00 2.06 O ATOM 0 H ASP A 81 -7.500 -0.729 -7.348 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.862 0.628 -8.072 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.306 -2.298 -7.465 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.824 -1.713 -8.117 1.00 0.78 H new ATOM 960 N ILE A 82 -9.765 -0.806 -5.105 1.00 0.50 N ATOM 961 CA ILE A 82 -10.336 -0.839 -3.768 1.00 0.45 C ATOM 962 C ILE A 82 -10.440 0.564 -3.179 1.00 0.48 C ATOM 963 O ILE A 82 -11.500 0.971 -2.703 1.00 0.61 O ATOM 964 CB ILE A 82 -9.478 -1.736 -2.852 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.722 -3.210 -3.183 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.749 -1.450 -1.384 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.825 -4.158 -2.422 1.00 0.61 C ATOM 0 H ILE A 82 -8.913 -1.359 -5.203 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.342 -1.252 -3.837 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.428 -1.509 -3.035 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.762 -3.455 -2.967 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.574 -3.363 -4.252 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.128 -2.099 -0.766 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.513 -0.408 -1.167 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.800 -1.637 -1.165 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.055 -5.185 -2.708 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.783 -3.940 -2.657 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.989 -4.034 -1.352 1.00 0.61 H new ATOM 974 N LEU A 83 -9.338 1.301 -3.234 1.00 0.44 N ATOM 975 CA LEU A 83 -9.289 2.659 -2.700 1.00 0.52 C ATOM 976 C LEU A 83 -10.303 3.561 -3.399 1.00 0.69 C ATOM 977 O LEU A 83 -10.946 4.393 -2.765 1.00 0.83 O ATOM 978 CB LEU A 83 -7.877 3.237 -2.839 1.00 0.47 C ATOM 979 CG LEU A 83 -6.910 2.927 -1.685 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.759 1.428 -1.467 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.555 3.559 -1.956 1.00 0.42 C ATOM 0 H LEU A 83 -8.461 0.980 -3.645 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.548 2.615 -1.642 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.441 2.861 -3.764 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.956 4.319 -2.941 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.330 3.353 -0.774 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.068 1.248 -0.643 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.730 0.996 -1.227 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.370 0.966 -2.374 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.877 3.334 -1.133 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.146 3.158 -2.883 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.669 4.639 -2.047 1.00 0.42 H new ATOM 993 N ASN A 84 -10.453 3.373 -4.705 1.00 0.74 N ATOM 994 CA ASN A 84 -11.411 4.150 -5.487 1.00 0.94 C ATOM 995 C ASN A 84 -12.846 3.766 -5.124 1.00 0.97 C ATOM 996 O ASN A 84 -13.733 4.616 -5.061 1.00 1.15 O ATOM 997 CB ASN A 84 -11.166 3.936 -6.985 1.00 1.04 C ATOM 998 CG ASN A 84 -12.171 4.664 -7.858 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.992 5.834 -8.188 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -13.220 3.969 -8.265 1.00 1.79 N ATOM 0 H ASN A 84 -9.924 2.689 -5.246 1.00 0.74 H new ATOM 0 HA ASN A 84 -11.271 5.205 -5.253 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -10.161 4.276 -7.236 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -11.206 2.869 -7.206 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -13.914 4.403 -8.874 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -13.335 2.999 -7.970 1.00 1.79 H new ATOM 1007 N SER A 85 -13.063 2.482 -4.874 1.00 0.87 N ATOM 1008 CA SER A 85 -14.383 1.984 -4.515 1.00 0.93 C ATOM 1009 C SER A 85 -14.778 2.471 -3.121 1.00 0.91 C ATOM 1010 O SER A 85 -15.960 2.648 -2.820 1.00 1.01 O ATOM 1011 CB SER A 85 -14.400 0.451 -4.574 1.00 0.98 C ATOM 1012 OG SER A 85 -15.701 -0.067 -4.341 1.00 1.50 O ATOM 0 H SER A 85 -12.339 1.765 -4.914 1.00 0.87 H new ATOM 0 HA SER A 85 -15.110 2.370 -5.230 1.00 0.93 H new ATOM 0 HB2 SER A 85 -14.046 0.120 -5.550 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.710 0.050 -3.832 1.00 0.98 H new ATOM 0 HG SER A 85 -15.677 -1.046 -4.387 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.783 2.703 -2.278 1.00 0.88 N ATOM 1019 CA ALA A 86 -14.020 3.165 -0.919 1.00 0.95 C ATOM 1020 C ALA A 86 -13.838 4.673 -0.814 1.00 1.14 C ATOM 1021 O ALA A 86 -13.583 5.202 0.271 1.00 1.71 O ATOM 1022 CB ALA A 86 -13.093 2.449 0.047 1.00 1.09 C ATOM 0 H ALA A 86 -12.798 2.578 -2.513 1.00 0.88 H new ATOM 0 HA ALA A 86 -15.052 2.932 -0.655 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.280 2.803 1.061 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -13.276 1.375 -0.002 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -12.057 2.654 -0.224 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.281 7.895 -7.002 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.080 7.486 -6.277 1.00 0.81 C ATOM 1164 C ALA B 17 -5.818 7.781 -7.084 1.00 0.69 C ATOM 1165 O ALA B 17 -5.357 6.953 -7.872 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.149 6.008 -5.906 1.00 1.09 C ATOM 0 HA ALA B 17 -7.032 8.069 -5.357 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.245 5.726 -5.367 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.019 5.832 -5.273 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.233 5.409 -6.813 1.00 1.09 H new ATOM 1172 N SER B 18 -5.264 8.967 -6.888 1.00 0.64 N ATOM 1173 CA SER B 18 -4.069 9.369 -7.609 1.00 0.61 C ATOM 1174 C SER B 18 -2.849 8.631 -7.062 1.00 0.50 C ATOM 1175 O SER B 18 -2.874 8.163 -5.922 1.00 0.45 O ATOM 1176 CB SER B 18 -3.868 10.879 -7.490 1.00 0.67 C ATOM 1177 OG SER B 18 -5.094 11.569 -7.673 1.00 1.33 O ATOM 0 H SER B 18 -5.622 9.666 -6.237 1.00 0.64 H new ATOM 0 HA SER B 18 -4.190 9.111 -8.661 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.454 11.119 -6.511 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.144 11.213 -8.233 1.00 0.67 H new ATOM 0 HG SER B 18 -4.942 12.534 -7.591 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.796 8.524 -7.864 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.595 7.786 -7.469 1.00 0.43 C ATOM 1185 C LYS B 19 -0.086 8.249 -6.105 1.00 0.35 C ATOM 1186 O LYS B 19 0.124 7.439 -5.197 1.00 0.28 O ATOM 1187 CB LYS B 19 0.504 7.961 -8.520 1.00 0.54 C ATOM 1188 CG LYS B 19 0.130 7.447 -9.900 1.00 0.85 C ATOM 1189 CD LYS B 19 0.042 5.928 -9.933 1.00 1.13 C ATOM 1190 CE LYS B 19 -0.308 5.419 -11.322 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.638 5.922 -12.353 1.00 2.10 N ATOM 0 H LYS B 19 -1.747 8.939 -8.795 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.859 6.731 -7.396 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.756 9.019 -8.594 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.401 7.443 -8.182 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.828 7.873 -10.199 1.00 0.85 H new ATOM 0 HG3 LYS B 19 0.870 7.784 -10.626 1.00 0.85 H new ATOM 0 HD2 LYS B 19 0.994 5.501 -9.617 1.00 1.13 H new ATOM 0 HD3 LYS B 19 -0.711 5.591 -9.221 1.00 1.13 H new ATOM 0 HE2 LYS B 19 -0.299 4.329 -11.322 1.00 1.74 H new ATOM 0 HE3 LYS B 19 -1.321 5.729 -11.577 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 0.577 5.323 -13.201 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.392 6.901 -12.602 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 1.608 5.894 -11.978 1.00 2.10 H new ATOM 1205 N GLU B 20 0.081 9.562 -5.968 1.00 0.41 N ATOM 1206 CA GLU B 20 0.581 10.161 -4.732 1.00 0.42 C ATOM 1207 C GLU B 20 -0.342 9.861 -3.550 1.00 0.34 C ATOM 1208 O GLU B 20 0.115 9.682 -2.424 1.00 0.30 O ATOM 1209 CB GLU B 20 0.727 11.678 -4.911 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.564 12.367 -5.334 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.392 13.851 -5.572 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.294 14.229 -6.546 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -0.956 14.653 -4.798 1.00 1.58 O ATOM 0 H GLU B 20 -0.125 10.237 -6.704 1.00 0.41 H new ATOM 0 HA GLU B 20 1.555 9.723 -4.515 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.072 12.115 -3.974 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.496 11.875 -5.658 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.937 11.899 -6.245 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.320 12.213 -4.564 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.637 9.784 -3.825 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.642 9.591 -2.788 1.00 0.39 C ATOM 1222 C GLU B 21 -2.663 8.145 -2.313 1.00 0.32 C ATOM 1223 O GLU B 21 -2.844 7.872 -1.125 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.007 10.001 -3.331 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.051 11.460 -3.746 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.272 11.819 -4.560 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.938 10.903 -5.089 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -5.539 13.028 -4.713 1.00 1.54 O ATOM 0 H GLU B 21 -2.019 9.853 -4.768 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.393 10.214 -1.929 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.257 9.375 -4.188 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.767 9.819 -2.571 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.023 12.084 -2.853 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.157 11.692 -4.325 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.470 7.223 -3.244 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.379 5.812 -2.904 1.00 0.29 C ATOM 1237 C ILE B 22 -1.130 5.560 -2.077 1.00 0.24 C ATOM 1238 O ILE B 22 -1.189 4.945 -1.012 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.341 4.928 -4.166 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.587 5.177 -5.017 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.237 3.456 -3.779 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.531 4.532 -6.382 1.00 0.44 C ATOM 0 H ILE B 22 -2.374 7.426 -4.239 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.267 5.551 -2.329 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.461 5.189 -4.755 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.461 4.802 -4.484 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.724 6.252 -5.138 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.211 2.844 -4.680 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.325 3.294 -3.204 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.100 3.177 -3.175 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.449 4.753 -6.927 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.678 4.924 -6.935 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.426 3.453 -6.270 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.003 6.066 -2.566 1.00 0.20 N ATOM 1250 CA ALA B 23 1.267 5.930 -1.871 1.00 0.19 C ATOM 1251 C ALA B 23 1.203 6.586 -0.499 1.00 0.20 C ATOM 1252 O ALA B 23 1.831 6.118 0.449 1.00 0.20 O ATOM 1253 CB ALA B 23 2.391 6.531 -2.699 1.00 0.20 C ATOM 0 H ALA B 23 0.054 6.577 -3.447 1.00 0.20 H new ATOM 0 HA ALA B 23 1.470 4.868 -1.731 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.335 6.421 -2.165 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.454 6.014 -3.657 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.192 7.589 -2.870 1.00 0.20 H new ATOM 1259 N ALA B 24 0.430 7.664 -0.402 1.00 0.22 N ATOM 1260 CA ALA B 24 0.209 8.345 0.865 1.00 0.25 C ATOM 1261 C ALA B 24 -0.354 7.380 1.903 1.00 0.23 C ATOM 1262 O ALA B 24 0.155 7.285 3.018 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.732 9.526 0.672 1.00 0.31 C ATOM 0 H ALA B 24 -0.056 8.085 -1.194 1.00 0.22 H new ATOM 0 HA ALA B 24 1.167 8.718 1.228 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.889 10.026 1.628 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.294 10.228 -0.038 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.688 9.170 0.288 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.392 6.647 1.524 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.990 5.660 2.412 1.00 0.23 C ATOM 1271 C LEU B 25 -1.030 4.510 2.673 1.00 0.22 C ATOM 1272 O LEU B 25 -0.969 3.984 3.783 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.288 5.117 1.820 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.463 6.089 1.819 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.649 5.462 1.113 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.838 6.479 3.243 1.00 0.43 C ATOM 0 H LEU B 25 -1.837 6.717 0.609 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.209 6.157 3.357 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.096 4.804 0.794 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.576 4.225 2.377 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.170 6.993 1.285 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.485 6.161 1.116 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.377 5.226 0.084 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.939 4.548 1.631 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.678 7.173 3.221 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.119 5.587 3.803 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.986 6.957 3.726 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.283 4.128 1.647 1.00 0.20 N ATOM 1289 CA ILE B 26 0.672 3.035 1.758 1.00 0.21 C ATOM 1290 C ILE B 26 1.757 3.352 2.788 1.00 0.20 C ATOM 1291 O ILE B 26 2.011 2.556 3.696 1.00 0.22 O ATOM 1292 CB ILE B 26 1.320 2.715 0.392 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.251 2.260 -0.609 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.392 1.647 0.550 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.790 1.967 -1.992 1.00 0.27 C ATOM 0 H ILE B 26 -0.320 4.561 0.724 1.00 0.20 H new ATOM 0 HA ILE B 26 0.119 2.157 2.093 1.00 0.21 H new ATOM 0 HB ILE B 26 1.791 3.620 0.009 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.237 1.365 -0.223 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.514 3.033 -0.684 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.838 1.433 -0.421 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.163 2.004 1.233 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.944 0.738 0.951 1.00 0.24 H new ATOM 0 HD11 ILE B 26 -0.027 1.651 -2.641 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.252 2.866 -2.401 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.534 1.172 -1.932 1.00 0.27 H new ATOM 1302 N VAL B 27 2.379 4.522 2.665 1.00 0.18 N ATOM 1303 CA VAL B 27 3.429 4.913 3.599 1.00 0.20 C ATOM 1304 C VAL B 27 2.847 5.184 4.986 1.00 0.22 C ATOM 1305 O VAL B 27 3.491 4.918 5.999 1.00 0.23 O ATOM 1306 CB VAL B 27 4.234 6.147 3.113 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.876 5.868 1.763 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.370 7.398 3.048 1.00 0.21 C ATOM 0 H VAL B 27 2.177 5.208 1.937 1.00 0.18 H new ATOM 0 HA VAL B 27 4.122 4.074 3.654 1.00 0.20 H new ATOM 0 HB VAL B 27 5.021 6.333 3.844 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.436 6.745 1.438 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.552 5.017 1.850 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.101 5.642 1.031 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.972 8.239 2.703 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.545 7.235 2.355 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.973 7.618 4.039 1.00 0.21 H new ATOM 1312 N ASN B 28 1.615 5.689 5.023 1.00 0.25 N ATOM 1313 CA ASN B 28 0.920 5.946 6.283 1.00 0.32 C ATOM 1314 C ASN B 28 0.610 4.633 6.996 1.00 0.27 C ATOM 1315 O ASN B 28 0.603 4.561 8.223 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.376 6.725 6.026 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.102 7.112 7.305 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -0.486 7.318 8.349 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.420 7.219 7.228 1.00 0.86 N ATOM 0 H ASN B 28 1.076 5.929 4.191 1.00 0.25 H new ATOM 0 HA ASN B 28 1.570 6.545 6.921 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.145 7.627 5.459 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.039 6.121 5.407 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.960 7.480 8.053 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -2.895 7.040 6.343 1.00 0.86 H new ATOM 1326 N TYR B 29 0.365 3.595 6.210 1.00 0.25 N ATOM 1327 CA TYR B 29 0.102 2.268 6.746 1.00 0.24 C ATOM 1328 C TYR B 29 1.359 1.685 7.382 1.00 0.18 C ATOM 1329 O TYR B 29 1.338 1.253 8.534 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.415 1.347 5.636 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.500 -0.111 6.030 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.425 -0.550 6.969 1.00 1.23 C ATOM 1333 CD2 TYR B 29 0.353 -1.048 5.462 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.496 -1.882 7.330 1.00 1.25 C ATOM 1335 CE2 TYR B 29 0.288 -2.379 5.817 1.00 1.22 C ATOM 1336 CZ TYR B 29 -0.637 -2.792 6.751 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.700 -4.118 7.106 1.00 0.49 O ATOM 0 H TYR B 29 0.343 3.648 5.192 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.662 2.350 7.519 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.404 1.687 5.328 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.238 1.440 4.768 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.099 0.161 7.424 1.00 1.23 H new ATOM 0 HD2 TYR B 29 1.080 -0.729 4.730 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -2.220 -2.208 8.062 1.00 1.25 H new ATOM 0 HE2 TYR B 29 0.959 -3.094 5.365 1.00 1.22 H new ATOM 0 HH TYR B 29 -0.208 -4.656 6.451 1.00 0.49 H new ATOM 1347 N PHE B 30 2.455 1.691 6.634 1.00 0.16 N ATOM 1348 CA PHE B 30 3.717 1.145 7.123 1.00 0.16 C ATOM 1349 C PHE B 30 4.201 1.895 8.362 1.00 0.18 C ATOM 1350 O PHE B 30 4.607 1.279 9.351 1.00 0.21 O ATOM 1351 CB PHE B 30 4.790 1.198 6.034 1.00 0.19 C ATOM 1352 CG PHE B 30 4.554 0.259 4.886 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.111 -1.036 5.105 1.00 1.17 C ATOM 1354 CD2 PHE B 30 4.795 0.667 3.585 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.910 -1.902 4.049 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.593 -0.194 2.525 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.151 -1.481 2.757 1.00 0.25 C ATOM 0 H PHE B 30 2.497 2.067 5.687 1.00 0.16 H new ATOM 0 HA PHE B 30 3.539 0.105 7.395 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.850 2.216 5.649 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.757 0.969 6.482 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.921 -1.371 6.114 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.145 1.671 3.397 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.564 -2.908 4.234 1.00 1.16 H new ATOM 0 HE2 PHE B 30 4.781 0.139 1.515 1.00 1.22 H new ATOM 0 HZ PHE B 30 3.994 -2.157 1.929 1.00 0.25 H new ATOM 1367 N SER B 31 4.129 3.220 8.315 1.00 0.21 N ATOM 1368 CA SER B 31 4.586 4.045 9.425 1.00 0.26 C ATOM 1369 C SER B 31 3.691 3.863 10.652 1.00 0.25 C ATOM 1370 O SER B 31 4.110 4.118 11.780 1.00 0.27 O ATOM 1371 CB SER B 31 4.637 5.517 9.011 1.00 0.35 C ATOM 1372 OG SER B 31 3.412 5.928 8.429 1.00 1.15 O ATOM 0 H SER B 31 3.759 3.744 7.522 1.00 0.21 H new ATOM 0 HA SER B 31 5.592 3.723 9.693 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.854 6.135 9.882 1.00 0.35 H new ATOM 0 HB3 SER B 31 5.450 5.670 8.301 1.00 0.35 H new ATOM 0 HG SER B 31 3.471 5.851 7.454 1.00 1.15 H new ATOM 1378 N SER B 32 2.465 3.409 10.429 1.00 0.27 N ATOM 1379 CA SER B 32 1.535 3.160 11.519 1.00 0.30 C ATOM 1380 C SER B 32 1.964 1.919 12.302 1.00 0.28 C ATOM 1381 O SER B 32 1.945 1.911 13.536 1.00 0.36 O ATOM 1382 CB SER B 32 0.114 2.984 10.970 1.00 0.40 C ATOM 1383 OG SER B 32 -0.845 2.903 12.012 1.00 0.99 O ATOM 0 H SER B 32 2.092 3.206 9.502 1.00 0.27 H new ATOM 0 HA SER B 32 1.542 4.016 12.194 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.130 3.821 10.316 1.00 0.40 H new ATOM 0 HB3 SER B 32 0.068 2.080 10.362 1.00 0.40 H new ATOM 0 HG SER B 32 -1.739 2.793 11.626 1.00 0.99 H new ATOM 1389 N ILE B 33 2.389 0.888 11.579 1.00 0.24 N ATOM 1390 CA ILE B 33 2.773 -0.376 12.199 1.00 0.27 C ATOM 1391 C ILE B 33 4.025 -0.202 13.056 1.00 0.26 C ATOM 1392 O ILE B 33 4.134 -0.779 14.143 1.00 0.32 O ATOM 1393 CB ILE B 33 3.037 -1.476 11.149 1.00 0.30 C ATOM 1394 CG1 ILE B 33 1.945 -1.479 10.077 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.103 -2.835 11.829 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.207 -2.457 8.951 1.00 0.34 C ATOM 0 H ILE B 33 2.476 0.903 10.563 1.00 0.24 H new ATOM 0 HA ILE B 33 1.935 -0.684 12.825 1.00 0.27 H new ATOM 0 HB ILE B 33 3.991 -1.269 10.665 1.00 0.30 H new ATOM 0 HG12 ILE B 33 0.990 -1.721 10.543 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.852 -0.476 9.662 1.00 0.30 H new ATOM 0 HG21 ILE B 33 3.290 -3.607 11.082 1.00 0.44 H new ATOM 0 HG22 ILE B 33 3.910 -2.836 12.562 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.157 -3.037 12.331 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.393 -2.406 8.228 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.146 -2.203 8.459 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.271 -3.468 9.354 1.00 0.34 H new ATOM 1403 N VAL B 34 4.968 0.597 12.567 1.00 0.25 N ATOM 1404 CA VAL B 34 6.203 0.848 13.298 1.00 0.31 C ATOM 1405 C VAL B 34 5.960 1.827 14.445 1.00 0.37 C ATOM 1406 O VAL B 34 6.655 1.791 15.460 1.00 0.47 O ATOM 1407 CB VAL B 34 7.331 1.384 12.381 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.592 0.422 11.232 1.00 0.35 C ATOM 1409 CG2 VAL B 34 7.002 2.770 11.852 1.00 0.33 C ATOM 0 H VAL B 34 4.900 1.080 11.671 1.00 0.25 H new ATOM 0 HA VAL B 34 6.531 -0.110 13.701 1.00 0.31 H new ATOM 0 HB VAL B 34 8.238 1.462 12.981 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.387 0.817 10.600 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.892 -0.547 11.630 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.683 0.306 10.641 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.813 3.117 11.212 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.078 2.730 11.276 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.879 3.459 12.688 1.00 0.33 H new ATOM 1413 N GLU B 35 4.951 2.680 14.284 1.00 0.35 N ATOM 1414 CA GLU B 35 4.587 3.647 15.312 1.00 0.46 C ATOM 1415 C GLU B 35 4.095 2.923 16.558 1.00 0.51 C ATOM 1416 O GLU B 35 4.546 3.194 17.672 1.00 0.62 O ATOM 1417 CB GLU B 35 3.497 4.589 14.792 1.00 0.51 C ATOM 1418 CG GLU B 35 3.241 5.788 15.689 1.00 0.70 C ATOM 1419 CD GLU B 35 4.407 6.752 15.718 1.00 1.49 C ATOM 1420 OE1 GLU B 35 5.321 6.569 16.547 1.00 2.19 O ATOM 1421 OE2 GLU B 35 4.416 7.701 14.908 1.00 2.22 O ATOM 0 H GLU B 35 4.370 2.720 13.447 1.00 0.35 H new ATOM 0 HA GLU B 35 5.469 4.235 15.566 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.779 4.943 13.800 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.569 4.028 14.678 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.350 6.312 15.344 1.00 0.70 H new ATOM 0 HG3 GLU B 35 3.035 5.442 16.702 1.00 0.70 H new ATOM 1428 N LYS B 36 3.183 1.977 16.358 1.00 0.47 N ATOM 1429 CA LYS B 36 2.643 1.192 17.463 1.00 0.55 C ATOM 1430 C LYS B 36 3.587 0.050 17.834 1.00 0.51 C ATOM 1431 O LYS B 36 3.328 -0.716 18.761 1.00 0.61 O ATOM 1432 CB LYS B 36 1.251 0.654 17.107 1.00 0.67 C ATOM 1433 CG LYS B 36 1.222 -0.218 15.861 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.199 -0.487 15.370 1.00 0.98 C ATOM 1435 CE LYS B 36 -0.939 -1.527 16.210 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.325 -1.027 17.558 1.00 2.08 N ATOM 0 H LYS B 36 2.803 1.735 15.443 1.00 0.47 H new ATOM 0 HA LYS B 36 2.549 1.844 18.331 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.870 0.077 17.950 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.574 1.496 16.964 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.791 0.267 15.068 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.716 -1.166 16.073 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.763 0.446 15.379 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.161 -0.826 14.335 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -1.835 -1.844 15.677 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -0.308 -2.408 16.324 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.283 -1.358 17.790 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -0.654 -1.386 18.267 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -1.308 0.013 17.561 1.00 2.08 H new ATOM 1450 N LYS B 37 4.682 -0.040 17.075 1.00 0.48 N ATOM 1451 CA LYS B 37 5.761 -0.997 17.320 1.00 0.55 C ATOM 1452 C LYS B 37 5.238 -2.432 17.357 1.00 0.59 C ATOM 1453 O LYS B 37 5.609 -3.224 18.222 1.00 0.76 O ATOM 1454 CB LYS B 37 6.490 -0.650 18.627 1.00 0.72 C ATOM 1455 CG LYS B 37 7.864 -1.296 18.762 1.00 1.19 C ATOM 1456 CD LYS B 37 8.815 -0.815 17.676 1.00 1.42 C ATOM 1457 CE LYS B 37 10.169 -1.495 17.774 1.00 1.99 C ATOM 1458 NZ LYS B 37 10.925 -1.097 18.992 1.00 2.60 N ATOM 0 H LYS B 37 4.845 0.557 16.264 1.00 0.48 H new ATOM 0 HA LYS B 37 6.468 -0.928 16.493 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.601 0.432 18.693 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.871 -0.959 19.469 1.00 0.72 H new ATOM 0 HG2 LYS B 37 8.282 -1.064 19.742 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.765 -2.380 18.706 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.379 -1.012 16.697 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.943 0.264 17.756 1.00 1.42 H new ATOM 0 HE2 LYS B 37 10.029 -2.576 17.776 1.00 1.99 H new ATOM 0 HE3 LYS B 37 10.758 -1.251 16.890 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 11.890 -1.481 18.942 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 10.968 -0.060 19.051 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 10.446 -1.472 19.836 1.00 2.60 H new ATOM 1472 N GLU B 38 4.391 -2.769 16.396 1.00 0.54 N ATOM 1473 CA GLU B 38 3.777 -4.088 16.359 1.00 0.69 C ATOM 1474 C GLU B 38 4.531 -4.994 15.392 1.00 0.69 C ATOM 1475 O GLU B 38 4.424 -6.218 15.451 1.00 1.03 O ATOM 1476 CB GLU B 38 2.307 -3.972 15.957 1.00 0.79 C ATOM 1477 CG GLU B 38 1.535 -5.276 16.070 1.00 1.35 C ATOM 1478 CD GLU B 38 0.053 -5.090 15.850 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.393 -5.119 14.684 1.00 2.11 O ATOM 1480 OE2 GLU B 38 -0.678 -4.912 16.845 1.00 1.86 O ATOM 0 H GLU B 38 4.114 -2.150 15.634 1.00 0.54 H new ATOM 0 HA GLU B 38 3.829 -4.531 17.354 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.827 -3.221 16.584 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.248 -3.614 14.929 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.921 -5.988 15.340 1.00 1.35 H new ATOM 0 HG3 GLU B 38 1.701 -5.709 17.056 1.00 1.35 H new ATOM 1487 N ILE B 39 5.305 -4.382 14.514 1.00 0.42 N ATOM 1488 CA ILE B 39 6.090 -5.130 13.547 1.00 0.43 C ATOM 1489 C ILE B 39 7.497 -5.373 14.087 1.00 0.48 C ATOM 1490 O ILE B 39 8.004 -4.590 14.899 1.00 0.52 O ATOM 1491 CB ILE B 39 6.159 -4.396 12.186 1.00 0.38 C ATOM 1492 CG1 ILE B 39 6.834 -5.279 11.130 1.00 0.46 C ATOM 1493 CG2 ILE B 39 6.892 -3.067 12.328 1.00 0.36 C ATOM 1494 CD1 ILE B 39 6.804 -4.692 9.736 1.00 0.47 C ATOM 0 H ILE B 39 5.407 -3.369 14.450 1.00 0.42 H new ATOM 0 HA ILE B 39 5.598 -6.089 13.385 1.00 0.43 H new ATOM 0 HB ILE B 39 5.141 -4.189 11.857 1.00 0.38 H new ATOM 0 HG12 ILE B 39 7.871 -5.449 11.421 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.343 -6.252 11.115 1.00 0.46 H new ATOM 0 HG21 ILE B 39 6.930 -2.567 11.360 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.365 -2.435 13.043 1.00 0.36 H new ATOM 0 HG23 ILE B 39 7.907 -3.247 12.683 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.300 -5.373 9.044 1.00 0.47 H new ATOM 0 HD12 ILE B 39 5.770 -4.548 9.424 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.321 -3.732 9.734 1.00 0.47 H new ATOM 1501 N SER B 40 8.099 -6.475 13.660 1.00 0.55 N ATOM 1502 CA SER B 40 9.455 -6.821 14.047 1.00 0.62 C ATOM 1503 C SER B 40 10.431 -5.722 13.628 1.00 0.53 C ATOM 1504 O SER B 40 10.335 -5.168 12.534 1.00 0.48 O ATOM 1505 CB SER B 40 9.833 -8.157 13.411 1.00 0.77 C ATOM 1506 OG SER B 40 8.918 -9.170 13.798 1.00 1.82 O ATOM 0 H SER B 40 7.659 -7.152 13.036 1.00 0.55 H new ATOM 0 HA SER B 40 9.509 -6.915 15.132 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.839 -8.060 12.325 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.843 -8.437 13.712 1.00 0.77 H new ATOM 0 HG SER B 40 9.174 -10.019 13.380 1.00 1.82 H new ATOM 1512 N GLU B 41 11.369 -5.425 14.524 1.00 0.59 N ATOM 1513 CA GLU B 41 12.250 -4.267 14.394 1.00 0.60 C ATOM 1514 C GLU B 41 13.133 -4.349 13.155 1.00 0.49 C ATOM 1515 O GLU B 41 13.512 -3.321 12.592 1.00 0.46 O ATOM 1516 CB GLU B 41 13.108 -4.133 15.651 1.00 0.78 C ATOM 1517 CG GLU B 41 12.277 -4.070 16.920 1.00 1.08 C ATOM 1518 CD GLU B 41 13.109 -3.883 18.168 1.00 1.44 C ATOM 1519 OE1 GLU B 41 13.739 -4.858 18.620 1.00 2.19 O ATOM 1520 OE2 GLU B 41 13.115 -2.762 18.718 1.00 1.99 O ATOM 0 H GLU B 41 11.540 -5.981 15.362 1.00 0.59 H new ATOM 0 HA GLU B 41 11.623 -3.383 14.279 1.00 0.60 H new ATOM 0 HB2 GLU B 41 13.793 -4.979 15.711 1.00 0.78 H new ATOM 0 HB3 GLU B 41 13.719 -3.233 15.576 1.00 0.78 H new ATOM 0 HG2 GLU B 41 11.565 -3.249 16.840 1.00 1.08 H new ATOM 0 HG3 GLU B 41 11.696 -4.988 17.012 1.00 1.08 H new ATOM 1527 N ASP B 42 13.458 -5.564 12.736 1.00 0.52 N ATOM 1528 CA ASP B 42 14.225 -5.766 11.511 1.00 0.51 C ATOM 1529 C ASP B 42 13.397 -5.356 10.303 1.00 0.43 C ATOM 1530 O ASP B 42 13.866 -4.623 9.431 1.00 0.47 O ATOM 1531 CB ASP B 42 14.665 -7.226 11.377 1.00 0.61 C ATOM 1532 CG ASP B 42 15.784 -7.590 12.332 1.00 1.49 C ATOM 1533 OD1 ASP B 42 15.487 -8.001 13.476 1.00 2.20 O ATOM 1534 OD2 ASP B 42 16.965 -7.464 11.944 1.00 2.29 O ATOM 0 H ASP B 42 13.204 -6.423 13.223 1.00 0.52 H new ATOM 0 HA ASP B 42 15.118 -5.143 11.559 1.00 0.51 H new ATOM 0 HB2 ASP B 42 13.810 -7.877 11.560 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.992 -7.410 10.354 1.00 0.61 H new ATOM 1539 N GLY B 43 12.152 -5.816 10.278 1.00 0.39 N ATOM 1540 CA GLY B 43 11.238 -5.450 9.216 1.00 0.37 C ATOM 1541 C GLY B 43 10.904 -3.975 9.243 1.00 0.34 C ATOM 1542 O GLY B 43 10.703 -3.357 8.199 1.00 0.34 O ATOM 0 H GLY B 43 11.758 -6.441 10.981 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.680 -5.705 8.253 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.321 -6.032 9.310 1.00 0.37 H new ATOM 1546 N ALA B 44 10.851 -3.411 10.445 1.00 0.33 N ATOM 1547 CA ALA B 44 10.619 -1.982 10.615 1.00 0.33 C ATOM 1548 C ALA B 44 11.710 -1.181 9.916 1.00 0.32 C ATOM 1549 O ALA B 44 11.433 -0.179 9.257 1.00 0.31 O ATOM 1550 CB ALA B 44 10.565 -1.625 12.094 1.00 0.38 C ATOM 0 H ALA B 44 10.966 -3.924 11.319 1.00 0.33 H new ATOM 0 HA ALA B 44 9.660 -1.731 10.163 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.391 -0.555 12.204 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.754 -2.175 12.572 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.511 -1.889 12.567 1.00 0.38 H new ATOM 1556 N ASP B 45 12.947 -1.645 10.046 1.00 0.36 N ATOM 1557 CA ASP B 45 14.080 -1.002 9.392 1.00 0.38 C ATOM 1558 C ASP B 45 13.960 -1.119 7.880 1.00 0.36 C ATOM 1559 O ASP B 45 14.233 -0.168 7.145 1.00 0.37 O ATOM 1560 CB ASP B 45 15.396 -1.626 9.853 1.00 0.48 C ATOM 1561 CG ASP B 45 16.590 -1.014 9.153 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.905 0.162 9.430 1.00 1.84 O ATOM 1563 OD2 ASP B 45 17.214 -1.704 8.317 1.00 1.81 O ATOM 0 H ASP B 45 13.191 -2.466 10.600 1.00 0.36 H new ATOM 0 HA ASP B 45 14.074 0.052 9.669 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.501 -1.496 10.930 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.375 -2.699 9.662 1.00 0.48 H new ATOM 1568 N SER B 46 13.537 -2.288 7.425 1.00 0.37 N ATOM 1569 CA SER B 46 13.317 -2.522 6.009 1.00 0.40 C ATOM 1570 C SER B 46 12.222 -1.593 5.477 1.00 0.36 C ATOM 1571 O SER B 46 12.286 -1.126 4.343 1.00 0.38 O ATOM 1572 CB SER B 46 12.950 -3.990 5.782 1.00 0.50 C ATOM 1573 OG SER B 46 13.906 -4.841 6.399 1.00 0.98 O ATOM 0 H SER B 46 13.339 -3.092 8.020 1.00 0.37 H new ATOM 0 HA SER B 46 14.234 -2.303 5.462 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.959 -4.191 6.189 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.904 -4.199 4.713 1.00 0.50 H new ATOM 0 HG SER B 46 14.001 -5.662 5.872 1.00 0.98 H new ATOM 1579 N LEU B 47 11.229 -1.307 6.313 1.00 0.32 N ATOM 1580 CA LEU B 47 10.171 -0.375 5.943 1.00 0.30 C ATOM 1581 C LEU B 47 10.691 1.058 5.916 1.00 0.27 C ATOM 1582 O LEU B 47 10.175 1.892 5.182 1.00 0.28 O ATOM 1583 CB LEU B 47 8.983 -0.478 6.902 1.00 0.30 C ATOM 1584 CG LEU B 47 8.143 -1.751 6.774 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.982 -1.720 7.756 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.632 -1.907 5.350 1.00 0.41 C ATOM 0 H LEU B 47 11.135 -1.706 7.247 1.00 0.32 H new ATOM 0 HA LEU B 47 9.834 -0.645 4.942 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.356 -0.411 7.924 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.334 0.383 6.742 1.00 0.30 H new ATOM 0 HG LEU B 47 8.773 -2.609 7.011 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.394 -2.632 7.653 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.368 -1.650 8.773 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.351 -0.856 7.547 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.036 -2.817 5.275 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.015 -1.047 5.088 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.477 -1.969 4.665 1.00 0.41 H new ATOM 1598 N ASN B 48 11.719 1.333 6.710 1.00 0.26 N ATOM 1599 CA ASN B 48 12.311 2.665 6.759 1.00 0.26 C ATOM 1600 C ASN B 48 13.021 2.994 5.451 1.00 0.27 C ATOM 1601 O ASN B 48 12.787 4.050 4.862 1.00 0.32 O ATOM 1602 CB ASN B 48 13.293 2.785 7.930 1.00 0.28 C ATOM 1603 CG ASN B 48 12.607 2.821 9.284 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.131 2.296 10.269 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.447 3.458 9.354 1.00 0.40 N ATOM 0 H ASN B 48 12.160 0.652 7.328 1.00 0.26 H new ATOM 0 HA ASN B 48 11.502 3.380 6.907 1.00 0.26 H new ATOM 0 HB2 ASN B 48 13.985 1.944 7.903 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.887 3.691 7.807 1.00 0.28 H new ATOM 0 HD21 ASN B 48 10.956 3.527 10.245 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.045 3.880 8.517 1.00 0.40 H new ATOM 1612 N VAL B 49 13.877 2.088 4.985 1.00 0.27 N ATOM 1613 CA VAL B 49 14.563 2.292 3.713 1.00 0.29 C ATOM 1614 C VAL B 49 13.555 2.280 2.565 1.00 0.29 C ATOM 1615 O VAL B 49 13.683 3.036 1.600 1.00 0.32 O ATOM 1616 CB VAL B 49 15.681 1.243 3.467 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.134 -0.176 3.475 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.410 1.523 2.159 1.00 0.36 C ATOM 0 H VAL B 49 14.110 1.217 5.462 1.00 0.27 H new ATOM 0 HA VAL B 49 15.048 3.267 3.758 1.00 0.29 H new ATOM 0 HB VAL B 49 16.392 1.330 4.289 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.947 -0.880 3.299 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.676 -0.384 4.442 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.386 -0.282 2.689 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.188 0.775 2.009 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.702 1.481 1.332 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.862 2.514 2.199 1.00 0.36 H new ATOM 1622 N ALA B 50 12.532 1.441 2.694 1.00 0.30 N ATOM 1623 CA ALA B 50 11.468 1.376 1.703 1.00 0.34 C ATOM 1624 C ALA B 50 10.665 2.669 1.693 1.00 0.33 C ATOM 1625 O ALA B 50 10.208 3.111 0.645 1.00 0.37 O ATOM 1626 CB ALA B 50 10.557 0.190 1.977 1.00 0.37 C ATOM 0 H ALA B 50 12.419 0.797 3.477 1.00 0.30 H new ATOM 0 HA ALA B 50 11.923 1.245 0.721 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.767 0.157 1.226 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.137 -0.732 1.934 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.113 0.294 2.967 1.00 0.37 H new ATOM 1632 N MET B 51 10.514 3.269 2.867 1.00 0.34 N ATOM 1633 CA MET B 51 9.755 4.505 3.030 1.00 0.39 C ATOM 1634 C MET B 51 10.317 5.606 2.142 1.00 0.31 C ATOM 1635 O MET B 51 9.576 6.282 1.421 1.00 0.30 O ATOM 1636 CB MET B 51 9.804 4.946 4.492 1.00 0.52 C ATOM 1637 CG MET B 51 8.784 6.009 4.855 1.00 0.62 C ATOM 1638 SD MET B 51 7.091 5.427 4.651 1.00 0.65 S ATOM 1639 CE MET B 51 7.200 3.812 5.420 1.00 0.41 C ATOM 0 H MET B 51 10.914 2.913 3.735 1.00 0.34 H new ATOM 0 HA MET B 51 8.722 4.320 2.736 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.647 4.075 5.128 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.802 5.325 4.712 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.937 6.319 5.889 1.00 0.62 H new ATOM 0 HG3 MET B 51 8.941 6.889 4.231 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.246 3.565 5.885 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.439 3.064 4.664 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.982 3.823 6.179 1.00 0.41 H new ATOM 1649 N ASP B 52 11.633 5.773 2.199 1.00 0.31 N ATOM 1650 CA ASP B 52 12.324 6.731 1.346 1.00 0.32 C ATOM 1651 C ASP B 52 12.096 6.391 -0.117 1.00 0.28 C ATOM 1652 O ASP B 52 11.808 7.265 -0.931 1.00 0.30 O ATOM 1653 CB ASP B 52 13.827 6.736 1.637 1.00 0.42 C ATOM 1654 CG ASP B 52 14.178 7.402 2.950 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.146 6.725 3.996 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.500 8.607 2.941 1.00 1.84 O ATOM 0 H ASP B 52 12.245 5.255 2.830 1.00 0.31 H new ATOM 0 HA ASP B 52 11.921 7.721 1.557 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.192 5.709 1.649 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.346 7.249 0.827 1.00 0.42 H new ATOM 1661 N CYS B 53 12.206 5.108 -0.429 1.00 0.27 N ATOM 1662 CA CYS B 53 12.065 4.625 -1.795 1.00 0.27 C ATOM 1663 C CYS B 53 10.666 4.900 -2.351 1.00 0.28 C ATOM 1664 O CYS B 53 10.529 5.393 -3.469 1.00 0.36 O ATOM 1665 CB CYS B 53 12.370 3.129 -1.846 1.00 0.36 C ATOM 1666 SG CYS B 53 14.036 2.703 -1.291 1.00 1.05 S ATOM 0 H CYS B 53 12.395 4.375 0.255 1.00 0.27 H new ATOM 0 HA CYS B 53 12.777 5.164 -2.420 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.645 2.599 -1.228 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.237 2.775 -2.868 1.00 0.36 H new ATOM 0 HG CYS B 53 14.203 3.109 -0.067 1.00 1.05 H new ATOM 1672 N ILE B 54 9.637 4.587 -1.567 1.00 0.26 N ATOM 1673 CA ILE B 54 8.253 4.813 -1.981 1.00 0.29 C ATOM 1674 C ILE B 54 8.016 6.296 -2.244 1.00 0.30 C ATOM 1675 O ILE B 54 7.523 6.682 -3.305 1.00 0.33 O ATOM 1676 CB ILE B 54 7.247 4.331 -0.908 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.464 2.850 -0.584 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.814 4.562 -1.382 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.690 2.372 0.630 1.00 0.33 C ATOM 0 H ILE B 54 9.735 4.175 -0.639 1.00 0.26 H new ATOM 0 HA ILE B 54 8.093 4.238 -2.893 1.00 0.29 H new ATOM 0 HB ILE B 54 7.415 4.909 0.000 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.174 2.252 -1.448 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.527 2.675 -0.418 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.118 4.218 -0.617 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.658 5.625 -1.563 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.642 4.008 -2.305 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.893 1.314 0.798 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.997 2.944 1.506 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.623 2.514 0.460 1.00 0.33 H new ATOM 1686 N SER B 55 8.398 7.117 -1.276 1.00 0.30 N ATOM 1687 CA SER B 55 8.222 8.558 -1.372 1.00 0.36 C ATOM 1688 C SER B 55 8.974 9.116 -2.583 1.00 0.38 C ATOM 1689 O SER B 55 8.426 9.894 -3.365 1.00 0.41 O ATOM 1690 CB SER B 55 8.715 9.218 -0.082 1.00 0.40 C ATOM 1691 OG SER B 55 8.097 8.634 1.054 1.00 0.80 O ATOM 0 H SER B 55 8.835 6.806 -0.409 1.00 0.30 H new ATOM 0 HA SER B 55 7.163 8.779 -1.505 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.797 9.114 -0.006 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.499 10.286 -0.110 1.00 0.40 H new ATOM 0 HG SER B 55 8.554 7.798 1.281 1.00 0.80 H new ATOM 1697 N GLU B 56 10.222 8.688 -2.739 1.00 0.39 N ATOM 1698 CA GLU B 56 11.067 9.127 -3.845 1.00 0.48 C ATOM 1699 C GLU B 56 10.478 8.709 -5.193 1.00 0.42 C ATOM 1700 O GLU B 56 10.464 9.490 -6.146 1.00 0.45 O ATOM 1701 CB GLU B 56 12.468 8.535 -3.682 1.00 0.59 C ATOM 1702 CG GLU B 56 13.438 8.906 -4.789 1.00 0.82 C ATOM 1703 CD GLU B 56 14.773 8.218 -4.630 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.912 7.066 -5.090 1.00 2.38 O ATOM 1705 OE2 GLU B 56 15.690 8.817 -4.025 1.00 2.66 O ATOM 0 H GLU B 56 10.675 8.030 -2.105 1.00 0.39 H new ATOM 0 HA GLU B 56 11.122 10.215 -3.826 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.880 8.865 -2.729 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.387 7.449 -3.635 1.00 0.59 H new ATOM 0 HG2 GLU B 56 13.006 8.639 -5.753 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.586 9.986 -4.794 1.00 0.82 H new ATOM 1712 N ALA B 57 9.982 7.479 -5.256 1.00 0.38 N ATOM 1713 CA ALA B 57 9.440 6.923 -6.490 1.00 0.39 C ATOM 1714 C ALA B 57 8.259 7.738 -7.007 1.00 0.33 C ATOM 1715 O ALA B 57 8.127 7.962 -8.209 1.00 0.38 O ATOM 1716 CB ALA B 57 9.024 5.476 -6.274 1.00 0.41 C ATOM 0 H ALA B 57 9.944 6.843 -4.460 1.00 0.38 H new ATOM 0 HA ALA B 57 10.226 6.964 -7.245 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.621 5.071 -7.202 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.891 4.890 -5.969 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.262 5.429 -5.496 1.00 0.41 H new ATOM 1722 N PHE B 58 7.406 8.182 -6.096 1.00 0.28 N ATOM 1723 CA PHE B 58 6.218 8.934 -6.474 1.00 0.27 C ATOM 1724 C PHE B 58 6.488 10.436 -6.485 1.00 0.30 C ATOM 1725 O PHE B 58 5.684 11.219 -6.989 1.00 0.38 O ATOM 1726 CB PHE B 58 5.061 8.609 -5.532 1.00 0.27 C ATOM 1727 CG PHE B 58 4.492 7.231 -5.729 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.181 6.108 -5.299 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.264 7.062 -6.343 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.655 4.844 -5.482 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.732 5.800 -6.528 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.428 4.690 -6.097 1.00 0.29 C ATOM 0 H PHE B 58 7.513 8.035 -5.092 1.00 0.28 H new ATOM 0 HA PHE B 58 5.944 8.637 -7.486 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.404 8.707 -4.502 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.269 9.344 -5.676 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.140 6.222 -4.815 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.714 7.927 -6.682 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.203 3.977 -5.144 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.772 5.683 -7.010 1.00 1.21 H new ATOM 0 HZ PHE B 58 3.014 3.703 -6.240 1.00 0.29 H new ATOM 1742 N GLY B 59 7.622 10.829 -5.924 1.00 0.33 N ATOM 1743 CA GLY B 59 8.034 12.217 -5.973 1.00 0.38 C ATOM 1744 C GLY B 59 7.407 13.067 -4.885 1.00 0.37 C ATOM 1745 O GLY B 59 7.028 14.211 -5.131 1.00 0.42 O ATOM 0 H GLY B 59 8.267 10.209 -5.434 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.119 12.270 -5.886 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.772 12.633 -6.946 1.00 0.38 H new ATOM 1749 N PHE B 60 7.294 12.518 -3.685 1.00 0.35 N ATOM 1750 CA PHE B 60 6.780 13.279 -2.555 1.00 0.39 C ATOM 1751 C PHE B 60 7.604 12.980 -1.311 1.00 0.39 C ATOM 1752 O PHE B 60 8.374 12.020 -1.285 1.00 0.42 O ATOM 1753 CB PHE B 60 5.291 12.976 -2.308 1.00 0.40 C ATOM 1754 CG PHE B 60 5.000 11.606 -1.746 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.951 11.402 -0.375 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.759 10.534 -2.585 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.673 10.154 0.147 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.477 9.282 -2.067 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.435 9.093 -0.701 1.00 0.33 C ATOM 0 H PHE B 60 7.549 11.554 -3.469 1.00 0.35 H new ATOM 0 HA PHE B 60 6.864 14.340 -2.789 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.893 13.725 -1.623 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.753 13.087 -3.249 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.133 12.230 0.294 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.791 10.675 -3.655 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.642 10.009 1.217 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.290 8.452 -2.733 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.216 8.116 -0.297 1.00 0.33 H new ATOM 1769 N GLU B 61 7.456 13.811 -0.295 1.00 0.47 N ATOM 1770 CA GLU B 61 8.172 13.618 0.955 1.00 0.55 C ATOM 1771 C GLU B 61 7.281 12.927 1.976 1.00 0.50 C ATOM 1772 O GLU B 61 6.078 13.181 2.044 1.00 0.47 O ATOM 1773 CB GLU B 61 8.654 14.960 1.504 1.00 0.70 C ATOM 1774 CG GLU B 61 9.670 15.653 0.611 1.00 0.80 C ATOM 1775 CD GLU B 61 10.892 14.796 0.343 1.00 1.48 C ATOM 1776 OE1 GLU B 61 11.657 14.527 1.292 1.00 2.33 O ATOM 1777 OE2 GLU B 61 11.102 14.395 -0.821 1.00 2.06 O ATOM 0 H GLU B 61 6.845 14.628 -0.310 1.00 0.47 H new ATOM 0 HA GLU B 61 9.038 12.986 0.761 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.795 15.617 1.641 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.095 14.803 2.488 1.00 0.70 H new ATOM 0 HG2 GLU B 61 9.198 15.912 -0.337 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.981 16.587 1.078 1.00 0.80 H new ATOM 1784 N ARG B 62 7.896 12.061 2.776 1.00 0.53 N ATOM 1785 CA ARG B 62 7.195 11.281 3.796 1.00 0.53 C ATOM 1786 C ARG B 62 6.513 12.188 4.817 1.00 0.52 C ATOM 1787 O ARG B 62 5.605 11.764 5.522 1.00 0.64 O ATOM 1788 CB ARG B 62 8.186 10.363 4.521 1.00 0.62 C ATOM 1789 CG ARG B 62 9.167 11.131 5.391 1.00 1.40 C ATOM 1790 CD ARG B 62 10.137 10.222 6.123 1.00 1.46 C ATOM 1791 NE ARG B 62 10.913 10.969 7.114 1.00 2.25 N ATOM 1792 CZ ARG B 62 12.173 10.688 7.452 1.00 2.60 C ATOM 1793 NH1 ARG B 62 12.804 9.661 6.897 1.00 2.13 N ATOM 1794 NH2 ARG B 62 12.797 11.435 8.353 1.00 3.67 N ATOM 0 H ARG B 62 8.899 11.878 2.736 1.00 0.53 H new ATOM 0 HA ARG B 62 6.431 10.686 3.296 1.00 0.53 H new ATOM 0 HB2 ARG B 62 7.634 9.656 5.140 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.739 9.779 3.785 1.00 0.62 H new ATOM 0 HG2 ARG B 62 9.728 11.829 4.770 1.00 1.40 H new ATOM 0 HG3 ARG B 62 8.613 11.725 6.118 1.00 1.40 H new ATOM 0 HD2 ARG B 62 9.587 9.420 6.616 1.00 1.46 H new ATOM 0 HD3 ARG B 62 10.811 9.753 5.407 1.00 1.46 H new ATOM 0 HE ARG B 62 10.460 11.757 7.577 1.00 2.25 H new ATOM 0 HH11 ARG B 62 12.326 9.081 6.208 1.00 2.13 H new ATOM 0 HH12 ARG B 62 13.767 9.452 7.160 1.00 2.13 H new ATOM 0 HH21 ARG B 62 12.314 12.222 8.786 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.760 11.222 8.613 1.00 3.67 H new ATOM 1808 N GLU B 63 6.962 13.433 4.893 1.00 0.57 N ATOM 1809 CA GLU B 63 6.403 14.392 5.832 1.00 0.63 C ATOM 1810 C GLU B 63 5.164 15.061 5.249 1.00 0.62 C ATOM 1811 O GLU B 63 4.371 15.664 5.971 1.00 0.74 O ATOM 1812 CB GLU B 63 7.448 15.451 6.184 1.00 0.73 C ATOM 1813 CG GLU B 63 8.720 14.883 6.793 1.00 1.69 C ATOM 1814 CD GLU B 63 8.458 14.096 8.059 1.00 2.52 C ATOM 1815 OE1 GLU B 63 8.032 14.701 9.063 1.00 3.12 O ATOM 1816 OE2 GLU B 63 8.686 12.869 8.060 1.00 3.19 O ATOM 0 H GLU B 63 7.715 13.802 4.313 1.00 0.57 H new ATOM 0 HA GLU B 63 6.114 13.857 6.737 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.705 16.007 5.283 1.00 0.73 H new ATOM 0 HB3 GLU B 63 7.009 16.163 6.883 1.00 0.73 H new ATOM 0 HG2 GLU B 63 9.211 14.238 6.064 1.00 1.69 H new ATOM 0 HG3 GLU B 63 9.409 15.699 7.013 1.00 1.69 H new ATOM 1823 N ALA B 64 4.988 14.928 3.941 1.00 0.55 N ATOM 1824 CA ALA B 64 3.905 15.604 3.241 1.00 0.59 C ATOM 1825 C ALA B 64 2.690 14.699 3.084 1.00 0.53 C ATOM 1826 O ALA B 64 1.672 15.111 2.531 1.00 0.56 O ATOM 1827 CB ALA B 64 4.383 16.088 1.880 1.00 0.66 C ATOM 0 H ALA B 64 5.584 14.356 3.342 1.00 0.55 H new ATOM 0 HA ALA B 64 3.603 16.463 3.840 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.565 16.592 1.365 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.212 16.783 2.012 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.715 15.236 1.287 1.00 0.66 H new ATOM 1833 N VAL B 65 2.793 13.469 3.583 1.00 0.50 N ATOM 1834 CA VAL B 65 1.695 12.509 3.486 1.00 0.46 C ATOM 1835 C VAL B 65 0.429 13.050 4.152 1.00 0.52 C ATOM 1836 O VAL B 65 -0.676 12.879 3.637 1.00 0.53 O ATOM 1837 CB VAL B 65 2.073 11.136 4.100 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.600 11.283 5.514 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.889 10.184 4.087 1.00 0.50 C ATOM 0 H VAL B 65 3.623 13.114 4.057 1.00 0.50 H new ATOM 0 HA VAL B 65 1.497 12.361 2.424 1.00 0.46 H new ATOM 0 HB VAL B 65 2.866 10.718 3.480 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.854 10.300 5.911 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.489 11.913 5.507 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.836 11.741 6.141 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.184 9.230 4.524 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.072 10.612 4.668 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.560 10.027 3.060 1.00 0.50 H new ATOM 1843 N SER B 66 0.604 13.731 5.279 1.00 0.62 N ATOM 1844 CA SER B 66 -0.515 14.320 5.998 1.00 0.74 C ATOM 1845 C SER B 66 -1.188 15.392 5.140 1.00 0.75 C ATOM 1846 O SER B 66 -2.413 15.533 5.144 1.00 0.83 O ATOM 1847 CB SER B 66 -0.026 14.913 7.324 1.00 0.88 C ATOM 1848 OG SER B 66 -1.107 15.354 8.125 1.00 1.63 O ATOM 0 H SER B 66 1.513 13.888 5.714 1.00 0.62 H new ATOM 0 HA SER B 66 -1.250 13.545 6.214 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.550 14.164 7.868 1.00 0.88 H new ATOM 0 HB3 SER B 66 0.645 15.748 7.125 1.00 0.88 H new ATOM 0 HG SER B 66 -0.762 15.725 8.964 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.377 16.127 4.388 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.899 17.152 3.509 1.00 0.74 C ATOM 1856 C GLY B 67 -1.639 16.567 2.326 1.00 0.69 C ATOM 1857 O GLY B 67 -2.673 17.088 1.920 1.00 0.74 O ATOM 0 H GLY B 67 0.638 16.029 4.373 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.570 17.802 4.070 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.078 17.774 3.151 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.107 15.480 1.774 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.742 14.792 0.653 1.00 0.58 C ATOM 1863 C ILE B 68 -3.131 14.294 1.043 1.00 0.62 C ATOM 1864 O ILE B 68 -4.111 14.521 0.328 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.888 13.593 0.173 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.498 14.069 -0.274 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.588 12.852 -0.961 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.423 12.945 -0.694 1.00 0.45 C ATOM 0 H ILE B 68 -0.234 15.055 2.086 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.829 15.511 -0.161 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.766 12.903 1.008 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.383 14.763 -1.107 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.962 14.624 0.541 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.971 12.013 -1.283 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.552 12.481 -0.613 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.743 13.532 -1.799 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.385 13.359 -0.997 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.570 12.262 0.143 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.981 12.404 -1.531 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.208 13.638 2.192 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.466 13.091 2.686 1.00 0.66 C ATOM 1877 C LEU B 69 -5.438 14.208 3.050 1.00 0.84 C ATOM 1878 O LEU B 69 -6.644 14.093 2.835 1.00 1.13 O ATOM 1879 CB LEU B 69 -4.200 12.194 3.897 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.262 11.015 3.627 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.911 10.299 4.920 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.896 10.049 2.636 1.00 0.45 C ATOM 0 H LEU B 69 -2.409 13.470 2.804 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.922 12.495 1.896 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.776 12.802 4.696 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -5.152 11.807 4.261 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.341 11.402 3.192 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.244 9.465 4.704 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.416 10.994 5.598 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.822 9.924 5.387 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.217 9.216 2.454 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.833 9.671 3.045 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -4.093 10.568 1.698 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.904 15.294 3.595 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.730 16.437 3.932 1.00 0.93 C ATOM 1896 C GLY B 70 -6.196 17.190 2.702 1.00 0.98 C ATOM 1897 O GLY B 70 -7.243 17.840 2.718 1.00 1.24 O ATOM 0 H GLY B 70 -3.913 15.403 3.810 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.597 16.101 4.500 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.168 17.112 4.577 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.416 17.089 1.635 1.00 0.86 N ATOM 1902 CA LYS B 71 -5.712 17.766 0.382 1.00 0.97 C ATOM 1903 C LYS B 71 -6.941 17.164 -0.290 1.00 0.98 C ATOM 1904 O LYS B 71 -7.919 17.862 -0.558 1.00 1.25 O ATOM 1905 CB LYS B 71 -4.508 17.667 -0.559 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.742 18.279 -1.928 1.00 1.68 C ATOM 1907 CD LYS B 71 -3.561 18.036 -2.854 1.00 2.11 C ATOM 1908 CE LYS B 71 -3.793 18.645 -4.228 1.00 2.60 C ATOM 1909 NZ LYS B 71 -4.023 20.112 -4.155 1.00 3.15 N ATOM 0 H LYS B 71 -4.560 16.535 1.614 1.00 0.86 H new ATOM 0 HA LYS B 71 -5.920 18.813 0.602 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -3.655 18.160 -0.093 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.242 16.617 -0.682 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.645 17.855 -2.368 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -4.911 19.351 -1.825 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -2.659 18.462 -2.414 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -3.391 16.964 -2.954 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -2.931 18.444 -4.864 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -4.653 18.166 -4.696 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -3.941 20.524 -5.106 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -4.975 20.296 -3.779 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -3.314 20.544 -3.528 1.00 3.15 H new ATOM 1923 N SER B 72 -6.888 15.870 -0.555 1.00 0.91 N ATOM 1924 CA SER B 72 -7.961 15.200 -1.266 1.00 1.08 C ATOM 1925 C SER B 72 -8.900 14.485 -0.298 1.00 1.03 C ATOM 1926 O SER B 72 -9.566 15.124 0.519 1.00 1.20 O ATOM 1927 CB SER B 72 -7.372 14.217 -2.275 1.00 1.29 C ATOM 1928 OG SER B 72 -6.497 14.879 -3.174 1.00 2.02 O ATOM 0 H SER B 72 -6.113 15.263 -0.288 1.00 0.91 H new ATOM 0 HA SER B 72 -8.548 15.948 -1.799 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.832 13.429 -1.749 1.00 1.29 H new ATOM 0 HB3 SER B 72 -8.176 13.735 -2.832 1.00 1.29 H new ATOM 0 HG SER B 72 -5.981 14.215 -3.677 1.00 2.02 H new ATOM 1934 N GLU B 73 -8.942 13.166 -0.384 1.00 1.12 N ATOM 1935 CA GLU B 73 -9.804 12.374 0.466 1.00 1.30 C ATOM 1936 C GLU B 73 -8.988 11.307 1.188 1.00 1.26 C ATOM 1937 O GLU B 73 -7.823 11.535 1.511 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.927 11.749 -0.364 1.00 1.67 C ATOM 1939 CG GLU B 73 -10.436 10.996 -1.583 1.00 1.87 C ATOM 1940 CD GLU B 73 -11.566 10.338 -2.342 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.056 9.290 -1.881 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -11.988 10.878 -3.387 1.00 2.46 O ATOM 0 H GLU B 73 -8.383 12.621 -1.040 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.259 13.017 1.219 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -11.498 11.068 0.267 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.611 12.535 -0.684 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -9.908 11.683 -2.244 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -9.718 10.237 -1.274 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.609 10.155 1.444 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.972 9.056 2.167 1.00 1.02 C ATOM 1951 C PHE B 74 -8.749 9.458 3.617 1.00 1.07 C ATOM 1952 O PHE B 74 -7.789 9.037 4.263 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.652 8.639 1.507 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.807 8.169 0.087 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.464 6.981 -0.193 1.00 1.18 C ATOM 1956 CD2 PHE B 74 -7.300 8.913 -0.966 1.00 1.61 C ATOM 1957 CE1 PHE B 74 -8.611 6.544 -1.493 1.00 1.25 C ATOM 1958 CE2 PHE B 74 -7.444 8.480 -2.271 1.00 1.70 C ATOM 1959 CZ PHE B 74 -8.100 7.293 -2.534 1.00 1.19 C ATOM 0 H PHE B 74 -10.567 9.958 1.156 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.636 8.192 2.134 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.963 9.484 1.527 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.197 7.843 2.096 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -8.866 6.390 0.617 1.00 1.18 H new ATOM 0 HD2 PHE B 74 -6.787 9.842 -0.765 1.00 1.61 H new ATOM 0 HE1 PHE B 74 -9.126 5.616 -1.696 1.00 1.25 H new ATOM 0 HE2 PHE B 74 -7.044 9.069 -3.083 1.00 1.70 H new ATOM 0 HZ PHE B 74 -8.213 6.952 -3.552 1.00 1.19 H new ATOM 2015 N HIS B 78 -8.193 4.422 7.290 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.828 4.170 6.858 1.00 0.85 C ATOM 2017 C HIS B 78 -6.831 3.154 5.728 1.00 0.69 C ATOM 2018 O HIS B 78 -7.894 2.682 5.327 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.981 3.655 8.021 1.00 1.02 C ATOM 2020 CG HIS B 78 -6.015 4.532 9.232 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -6.812 4.270 10.325 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -5.350 5.673 9.520 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -6.637 5.212 11.231 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -5.755 6.075 10.767 1.00 1.85 N ATOM 0 HA HIS B 78 -6.394 5.105 6.505 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.327 2.659 8.296 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.948 3.553 7.688 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -7.440 3.472 10.419 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -4.633 6.174 8.886 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -7.132 5.267 12.189 1.00 1.95 H new ATOM 2033 N LEU B 79 -5.651 2.807 5.229 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.539 1.867 4.119 1.00 0.46 C ATOM 2035 C LEU B 79 -6.224 0.545 4.455 1.00 0.44 C ATOM 2036 O LEU B 79 -7.094 0.083 3.720 1.00 0.42 O ATOM 2037 CB LEU B 79 -4.070 1.613 3.772 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.841 0.738 2.536 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.318 1.451 1.282 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.375 0.361 2.410 1.00 0.41 C ATOM 0 H LEU B 79 -4.759 3.161 5.574 1.00 0.60 H new ATOM 0 HA LEU B 79 -6.036 2.311 3.256 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.578 2.573 3.616 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.586 1.142 4.627 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.421 -0.178 2.653 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.147 0.814 0.414 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.383 1.668 1.369 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.767 2.384 1.162 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.234 -0.261 1.526 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.773 1.265 2.318 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -2.064 -0.193 3.296 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.853 -0.041 5.584 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.399 -1.329 5.988 1.00 0.54 C ATOM 2054 C ALA B 80 -7.894 -1.236 6.278 1.00 0.58 C ATOM 2055 O ALA B 80 -8.634 -2.197 6.064 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.650 -1.862 7.194 1.00 0.63 C ATOM 0 H ALA B 80 -5.176 0.355 6.237 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.269 -2.025 5.159 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -6.068 -2.825 7.486 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.596 -1.985 6.943 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.746 -1.159 8.022 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.338 -0.077 6.757 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.764 0.162 6.980 1.00 0.70 C ATOM 2064 C ASP B 81 -10.502 0.126 5.653 1.00 0.60 C ATOM 2065 O ASP B 81 -11.555 -0.496 5.521 1.00 0.67 O ATOM 2066 CB ASP B 81 -10.001 1.519 7.647 1.00 0.78 C ATOM 2067 CG ASP B 81 -9.480 1.589 9.065 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -10.119 1.006 9.968 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -8.439 2.237 9.287 1.00 2.06 O ATOM 0 H ASP B 81 -7.735 0.710 6.998 1.00 0.64 H new ATOM 0 HA ASP B 81 -10.138 -0.621 7.640 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.521 2.297 7.053 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -11.070 1.733 7.649 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.922 0.805 4.677 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.446 0.843 3.322 1.00 0.44 C ATOM 2076 C ILE B 82 -10.543 -0.561 2.730 1.00 0.48 C ATOM 2077 O ILE B 82 -11.589 -0.958 2.217 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.548 1.730 2.434 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.791 3.206 2.754 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.774 1.445 0.959 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.860 4.145 2.022 1.00 0.61 C ATOM 0 H ILE B 82 -9.069 1.349 4.804 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.450 1.267 3.357 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.507 1.493 2.652 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.821 3.459 2.502 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.679 3.360 3.827 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.126 2.086 0.361 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.543 0.400 0.751 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.815 1.644 0.705 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.090 5.174 2.298 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.829 3.919 2.293 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.989 4.020 0.947 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.451 -1.309 2.824 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.396 -2.667 2.295 1.00 0.52 C ATOM 2090 C LEU B 83 -10.441 -3.558 2.961 1.00 0.69 C ATOM 2091 O LEU B 83 -11.067 -4.389 2.306 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.994 -3.258 2.484 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.988 -2.960 1.363 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.815 -1.464 1.147 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.649 -3.605 1.681 1.00 0.43 C ATOM 0 H LEU B 83 -8.586 -0.996 3.265 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.618 -2.623 1.229 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.585 -2.883 3.422 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -8.086 -4.339 2.586 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.382 -3.383 0.439 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.096 -1.293 0.346 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.774 -1.023 0.874 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.452 -1.003 2.066 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.942 -3.388 0.881 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.267 -3.206 2.621 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.777 -4.684 1.770 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.636 -3.365 4.259 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.627 -4.131 5.010 1.00 0.94 C ATOM 2109 C ASN B 84 -13.045 -3.736 4.599 1.00 0.97 C ATOM 2110 O ASN B 84 -13.935 -4.579 4.506 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.432 -3.915 6.515 1.00 1.03 C ATOM 2112 CG ASN B 84 -12.469 -4.635 7.358 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.307 -5.804 7.696 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -13.529 -3.933 7.726 1.00 1.79 N ATOM 0 H ASN B 84 -10.121 -2.684 4.816 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.487 -5.188 4.783 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -10.438 -4.259 6.800 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.474 -2.848 6.731 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -14.247 -4.361 8.311 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -13.628 -2.964 7.425 1.00 1.79 H new ATOM 2121 N SER B 85 -13.243 -2.450 4.340 1.00 0.87 N ATOM 2122 CA SER B 85 -14.544 -1.940 3.936 1.00 0.93 C ATOM 2123 C SER B 85 -14.897 -2.426 2.530 1.00 0.91 C ATOM 2124 O SER B 85 -16.071 -2.589 2.190 1.00 1.01 O ATOM 2125 CB SER B 85 -14.548 -0.407 3.987 1.00 0.97 C ATOM 2126 OG SER B 85 -15.834 0.120 3.704 1.00 1.50 O ATOM 0 H SER B 85 -12.514 -1.739 4.403 1.00 0.87 H new ATOM 0 HA SER B 85 -15.296 -2.317 4.629 1.00 0.93 H new ATOM 0 HB2 SER B 85 -14.227 -0.074 4.974 1.00 0.97 H new ATOM 0 HB3 SER B 85 -13.828 -0.016 3.268 1.00 0.97 H new ATOM 0 HG SER B 85 -15.803 1.099 3.746 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.874 -2.671 1.723 1.00 0.88 N ATOM 2133 CA ALA B 86 -14.069 -3.133 0.358 1.00 0.95 C ATOM 2134 C ALA B 86 -13.894 -4.644 0.263 1.00 1.14 C ATOM 2135 O ALA B 86 -13.595 -5.177 -0.808 1.00 1.70 O ATOM 2136 CB ALA B 86 -13.099 -2.429 -0.576 1.00 1.09 C ATOM 0 H ALA B 86 -12.897 -2.557 1.993 1.00 0.88 H new ATOM 0 HA ALA B 86 -15.088 -2.891 0.057 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.254 -2.783 -1.595 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -13.270 -1.353 -0.535 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -12.076 -2.645 -0.268 1.00 1.09 H new