USER MOD reduce.3.24.130724 H: found=0, std=0, add=1318, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1343 hydrogens (20 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 NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 97 HIS HD1 : A 97 HIS ND1 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD NoAdj-H: A 124 HIS HE2 : A 124 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD Set 1.1: A 153 SER OG : rot -79:sc= 0.31 USER MOD Set 1.2: A 154 GLN : amide:sc= 0.285 K(o=0.59,f=0.056) USER MOD Set 2.1: A 149 ASN : amide:sc= 1.38 K(o=1.8,f=-3.4) USER MOD Set 2.2: A 151 LYS NZ :NH3+ -145:sc= 0.396 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 140:sc= 0.6 USER MOD Single : A 6 ASN : amide:sc=-0.00182 K(o=-0.0018,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= -0.279 (180deg=-1.54!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -134:sc= 1.66 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -85:sc= 1.48 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 169:sc= 1.76 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 31:sc= 0.193 USER MOD Single : A 28 HIS : no HD1:sc= -0.644 X(o=-0.64,f=-0.29) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 41 MET CE :methyl 177:sc= -0.818 (180deg=-0.917) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0792 K(o=-0.079,f=-0.85) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -127:sc= 0.16 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.216 K(o=0.22,f=-11!) USER MOD Single : A 116 TYR OH : rot 93:sc= 0 USER MOD Single : A 119 THR OG1 : rot 156:sc= 0.332 USER MOD Single : A 125 SER OG : rot -37:sc= 0.604 USER MOD Single : A 128 MET CE :methyl 178:sc= -0.359 (180deg=-0.37) USER MOD Single : A 130 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-1.7) USER MOD Single : A 131 SER OG : rot -160:sc= 0.0267 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 138 MET CE :methyl -153:sc= -1.22 (180deg=-3.75!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 54:sc= 0.206 USER MOD Single : A 142 TYR OH : rot 11:sc= 0.0432 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.06 K(o=-0.06,f=-0.9) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 LYS NZ :NH3+ -151:sc= -1.08 (180deg=-1.92!) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.22) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot -149:sc= 0.00344 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -8.070 -5.193 14.019 1.00 0.56 C ATOM 2 C TYR A 1 -6.646 -4.676 14.279 1.00 0.57 C ATOM 3 O TYR A 1 -6.021 -5.019 15.279 1.00 -0.57 O ATOM 4 CB TYR A 1 -8.659 -6.058 15.154 1.00 0.14 C ATOM 5 CG TYR A 1 -9.406 -5.293 16.231 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -8.731 -4.811 17.370 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -10.800 -5.116 16.119 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -9.443 -4.155 18.392 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -11.517 -4.464 17.135 1.00 -0.15 C ATOM 10 CZ TYR A 1 -10.843 -3.978 18.277 1.00 0.08 C ATOM 11 OH TYR A 1 -11.556 -3.348 19.254 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -9.336 -6.791 14.716 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -7.848 -6.614 15.623 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -7.663 -4.945 17.459 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -11.320 -5.484 15.247 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -8.922 -3.787 19.263 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -12.585 -4.334 17.043 1.00 -0.15 H new ATOM 0 HH TYR A 1 -12.502 -3.318 19.001 1.00 -0.53 H new ATOM 20 N SER A 2 -6.105 -3.885 13.336 1.00 -0.73 N ATOM 21 CA SER A 2 -4.721 -3.414 13.382 1.00 0.36 C ATOM 22 C SER A 2 -4.502 -2.416 14.517 1.00 0.57 C ATOM 23 O SER A 2 -3.594 -2.620 15.326 1.00 -0.57 O ATOM 24 CB SER A 2 -4.392 -2.683 12.080 1.00 0.28 C ATOM 25 OG SER A 2 -3.961 -3.522 11.041 1.00 -0.68 O ATOM 0 H SER A 2 -6.622 -3.557 12.520 1.00 -0.73 H new ATOM 0 HA SER A 2 -4.087 -4.288 13.533 1.00 0.36 H new ATOM 0 HB2 SER A 2 -5.276 -2.139 11.749 1.00 0.28 H new ATOM 0 HB3 SER A 2 -3.617 -1.942 12.278 1.00 0.28 H new ATOM 0 HG SER A 2 -4.355 -3.224 10.195 1.00 -0.68 H new ATOM 31 N LEU A 3 -5.290 -1.326 14.498 1.00 -0.73 N ATOM 32 CA LEU A 3 -5.313 -0.237 15.461 1.00 0.36 C ATOM 33 C LEU A 3 -6.478 0.676 15.042 1.00 0.57 C ATOM 34 O LEU A 3 -6.376 1.328 14.006 1.00 -0.57 O ATOM 35 CB LEU A 3 -3.970 0.543 15.454 1.00 0.00 C ATOM 36 CG LEU A 3 -3.593 1.036 16.864 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.880 -0.082 17.639 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.685 2.269 16.786 1.00 0.00 C ATOM 0 H LEU A 3 -5.971 -1.184 13.752 1.00 -0.73 H new ATOM 0 HA LEU A 3 -5.446 -0.612 16.476 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -3.178 -0.099 15.069 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.047 1.395 14.779 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.510 1.311 17.385 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.617 0.276 18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.542 -0.944 17.726 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.974 -0.373 17.107 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.432 2.599 17.794 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.772 2.015 16.247 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.205 3.071 16.261 1.00 0.00 H new ATOM 50 N PHE A 4 -7.578 0.693 15.809 1.00 -0.73 N ATOM 51 CA PHE A 4 -8.758 1.553 15.592 1.00 0.36 C ATOM 52 C PHE A 4 -9.316 1.524 14.148 1.00 0.57 C ATOM 53 O PHE A 4 -9.048 2.436 13.364 1.00 -0.57 O ATOM 54 CB PHE A 4 -8.463 2.987 16.071 1.00 0.14 C ATOM 55 CG PHE A 4 -8.258 3.117 17.567 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -9.361 2.989 18.435 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -6.975 3.360 18.095 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -9.178 3.087 19.825 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -6.797 3.468 19.485 1.00 -0.15 C ATOM 60 CZ PHE A 4 -7.896 3.328 20.350 1.00 -0.15 C ATOM 0 H PHE A 4 -7.677 0.090 16.625 1.00 -0.73 H new ATOM 0 HA PHE A 4 -9.562 1.133 16.197 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -7.571 3.351 15.561 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -9.288 3.634 15.772 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -10.348 2.815 18.032 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -6.129 3.463 17.432 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -10.022 2.977 20.490 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -5.814 3.659 19.889 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -7.756 3.406 21.418 1.00 -0.15 H new ATOM 70 N PRO A 5 -10.116 0.505 13.770 1.00 -0.66 N ATOM 71 CA PRO A 5 -10.675 0.389 12.424 1.00 0.36 C ATOM 72 C PRO A 5 -11.691 1.512 12.153 1.00 0.57 C ATOM 73 O PRO A 5 -12.812 1.469 12.659 1.00 -0.57 O ATOM 74 CB PRO A 5 -11.288 -1.013 12.349 1.00 0.00 C ATOM 75 CG PRO A 5 -11.581 -1.397 13.801 1.00 0.00 C ATOM 76 CD PRO A 5 -10.641 -0.536 14.644 1.00 0.30 C ATOM 0 HA PRO A 5 -9.918 0.507 11.648 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -12.198 -1.014 11.749 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.600 -1.720 11.885 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.624 -1.206 14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.401 -2.458 13.971 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.173 -0.098 15.489 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -9.831 -1.139 15.055 1.00 0.30 H new ATOM 84 N ASN A 6 -11.278 2.537 11.394 1.00 -0.73 N ATOM 85 CA ASN A 6 -12.081 3.747 11.203 1.00 0.36 C ATOM 86 C ASN A 6 -13.297 3.505 10.304 1.00 0.57 C ATOM 87 O ASN A 6 -14.411 3.889 10.677 1.00 -0.57 O ATOM 88 CB ASN A 6 -11.209 4.874 10.617 1.00 0.06 C ATOM 89 CG ASN A 6 -11.861 6.251 10.766 1.00 0.57 C ATOM 90 OD1 ASN A 6 -12.777 6.463 11.566 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -11.370 7.223 10.006 1.00 -0.80 N ATOM 0 H ASN A 6 -10.385 2.549 10.900 1.00 -0.73 H new ATOM 0 HA ASN A 6 -12.456 4.043 12.183 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -10.240 4.877 11.116 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -11.023 4.675 9.562 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -11.750 8.167 10.077 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -10.613 7.026 9.352 1.00 -0.80 H new ATOM 98 N SER A 7 -13.053 2.882 9.136 1.00 -0.73 N ATOM 99 CA SER A 7 -14.026 2.495 8.109 1.00 0.36 C ATOM 100 C SER A 7 -13.285 1.680 7.015 1.00 0.57 C ATOM 101 O SER A 7 -13.095 2.191 5.910 1.00 -0.57 O ATOM 102 CB SER A 7 -14.724 3.758 7.544 1.00 0.28 C ATOM 103 OG SER A 7 -15.964 3.475 6.918 1.00 -0.68 O ATOM 0 H SER A 7 -12.104 2.620 8.871 1.00 -0.73 H new ATOM 0 HA SER A 7 -14.811 1.865 8.529 1.00 0.36 H new ATOM 0 HB2 SER A 7 -14.887 4.469 8.354 1.00 0.28 H new ATOM 0 HB3 SER A 7 -14.062 4.240 6.825 1.00 0.28 H new ATOM 0 HG SER A 7 -16.359 4.307 6.583 1.00 -0.68 H new ATOM 109 N PRO A 8 -12.760 0.470 7.313 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.013 -0.327 6.340 1.00 0.36 C ATOM 111 C PRO A 8 -12.940 -0.838 5.236 1.00 0.57 C ATOM 112 O PRO A 8 -14.056 -1.253 5.546 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.406 -1.481 7.141 1.00 0.00 C ATOM 114 CG PRO A 8 -12.332 -1.664 8.337 1.00 0.00 C ATOM 115 CD PRO A 8 -12.972 -0.288 8.541 1.00 0.30 C ATOM 0 HA PRO A 8 -11.240 0.256 5.839 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.351 -2.390 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.390 -1.248 7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.085 -2.427 8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.780 -1.980 9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.036 -0.386 8.754 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.522 0.224 9.392 1.00 0.30 H new ATOM 123 N LYS A 9 -12.457 -0.866 3.981 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.244 -1.161 2.780 1.00 0.36 C ATOM 125 C LYS A 9 -14.228 -0.007 2.532 1.00 0.57 C ATOM 126 O LYS A 9 -15.245 0.123 3.208 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.943 -2.538 2.874 1.00 0.00 C ATOM 128 CG LYS A 9 -14.048 -3.289 1.529 1.00 0.00 C ATOM 129 CD LYS A 9 -15.427 -3.908 1.240 1.00 0.00 C ATOM 130 CE LYS A 9 -15.954 -3.484 -0.138 1.00 0.50 C ATOM 131 NZ LYS A 9 -15.460 -4.358 -1.228 1.00 -0.85 N ATOM 0 H LYS A 9 -11.476 -0.677 3.773 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.579 -1.235 1.919 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.399 -3.161 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.946 -2.397 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.800 -2.598 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.299 -4.081 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.356 -4.995 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.134 -3.602 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.044 -3.502 -0.128 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -15.654 -2.455 -0.337 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -15.372 -3.804 -2.104 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -14.530 -4.745 -0.968 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -16.130 -5.139 -1.378 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.906 0.856 1.563 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.772 1.955 1.142 1.00 0.36 C ATOM 147 C TRP A 10 -16.192 1.448 0.838 1.00 0.57 C ATOM 148 O TRP A 10 -16.360 0.328 0.350 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.172 2.643 -0.095 1.00 0.18 C ATOM 150 CG TRP A 10 -12.708 2.959 -0.024 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.709 2.096 -0.322 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -12.048 4.213 0.345 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.490 2.717 -0.172 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.641 4.031 0.200 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.480 5.485 0.785 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.719 5.048 0.466 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.559 6.518 1.046 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -10.182 6.300 0.894 1.00 -0.15 C ATOM 0 H TRP A 10 -13.028 0.808 1.046 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.840 2.677 1.955 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.344 2.004 -0.961 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.716 3.571 -0.270 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.848 1.071 -0.632 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.590 2.260 -0.318 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.535 5.668 0.924 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.661 4.871 0.343 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.916 7.486 1.366 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.481 7.094 1.106 1.00 -0.15 H new ATOM 169 N THR A 11 -17.202 2.293 1.082 1.00 -0.73 N ATOM 170 CA THR A 11 -18.611 1.976 0.840 1.00 0.36 C ATOM 171 C THR A 11 -18.888 1.632 -0.632 1.00 0.57 C ATOM 172 O THR A 11 -19.773 0.824 -0.918 1.00 -0.57 O ATOM 173 CB THR A 11 -19.459 3.182 1.288 1.00 0.28 C ATOM 174 OG1 THR A 11 -19.272 3.432 2.667 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.959 3.023 1.029 1.00 0.00 C ATOM 0 H THR A 11 -17.058 3.230 1.459 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.876 1.088 1.414 1.00 0.36 H new ATOM 0 HB THR A 11 -19.109 4.017 0.682 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.815 4.202 2.937 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -21.484 3.914 1.373 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.132 2.889 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.331 2.152 1.569 1.00 0.00 H new ATOM 183 N SER A 12 -18.161 2.258 -1.565 1.00 -0.73 N ATOM 184 CA SER A 12 -18.236 1.943 -2.984 1.00 0.36 C ATOM 185 C SER A 12 -17.347 0.733 -3.282 1.00 0.57 C ATOM 186 O SER A 12 -16.261 0.577 -2.721 1.00 -0.57 O ATOM 187 CB SER A 12 -17.794 3.174 -3.789 1.00 0.28 C ATOM 188 OG SER A 12 -17.580 2.879 -5.155 1.00 -0.68 O ATOM 0 H SER A 12 -17.500 3.004 -1.347 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.257 1.690 -3.268 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.553 3.952 -3.703 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.876 3.575 -3.359 1.00 0.28 H new ATOM 0 HG SER A 12 -16.740 3.288 -5.450 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.781 -0.087 -4.246 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.976 -1.177 -4.799 1.00 0.36 C ATOM 196 C LYS A 13 -15.838 -0.643 -5.693 1.00 0.57 C ATOM 197 O LYS A 13 -14.865 -1.357 -5.952 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.916 -2.110 -5.581 1.00 0.00 C ATOM 199 CG LYS A 13 -17.262 -3.461 -5.900 1.00 0.00 C ATOM 200 CD LYS A 13 -17.990 -4.242 -7.004 1.00 0.00 C ATOM 201 CE LYS A 13 -18.943 -5.304 -6.447 1.00 0.50 C ATOM 202 NZ LYS A 13 -20.297 -5.188 -7.033 1.00 -0.85 N ATOM 0 H LYS A 13 -18.707 -0.011 -4.666 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.494 -1.728 -3.991 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.824 -2.276 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.215 -1.625 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.229 -3.294 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.234 -4.066 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.552 -3.545 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.254 -4.722 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.542 -6.296 -6.653 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -19.006 -5.204 -5.363 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -20.913 -5.923 -6.632 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -20.690 -4.250 -6.815 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -20.240 -5.309 -8.064 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.947 0.604 -6.162 1.00 -0.73 N ATOM 217 CA VAL A 14 -14.961 1.236 -7.029 1.00 0.36 C ATOM 218 C VAL A 14 -14.356 2.407 -6.276 1.00 0.57 C ATOM 219 O VAL A 14 -15.079 3.200 -5.661 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.570 1.678 -8.373 1.00 0.00 C ATOM 221 CG1 VAL A 14 -14.504 2.318 -9.284 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.183 0.483 -9.119 1.00 0.00 C ATOM 0 H VAL A 14 -16.739 1.209 -5.943 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.184 0.515 -7.281 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.345 2.410 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.963 2.620 -10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.081 3.193 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.713 1.595 -9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -16.606 0.822 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -15.410 -0.260 -9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -16.969 0.038 -8.509 1.00 0.00 H new ATOM 232 N VAL A 15 -13.035 2.512 -6.387 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.189 3.482 -5.717 1.00 0.36 C ATOM 234 C VAL A 15 -11.475 4.317 -6.781 1.00 0.57 C ATOM 235 O VAL A 15 -11.315 3.889 -7.927 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.240 2.674 -4.809 1.00 0.00 C ATOM 237 CG1 VAL A 15 -9.979 3.401 -4.361 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.989 2.274 -3.539 1.00 0.00 C ATOM 0 H VAL A 15 -12.499 1.882 -6.984 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.736 4.190 -5.094 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.923 1.830 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.385 2.742 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.395 3.688 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.254 4.293 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.326 1.702 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.323 3.170 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.853 1.664 -3.803 1.00 0.00 H new ATOM 248 N THR A 16 -11.030 5.513 -6.408 1.00 -0.73 N ATOM 249 CA THR A 16 -10.351 6.421 -7.312 1.00 0.36 C ATOM 250 C THR A 16 -8.901 6.557 -6.847 1.00 0.57 C ATOM 251 O THR A 16 -8.645 6.678 -5.648 1.00 -0.57 O ATOM 252 CB THR A 16 -11.124 7.751 -7.392 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.147 8.450 -6.168 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.583 7.532 -7.816 1.00 0.00 C ATOM 0 H THR A 16 -11.134 5.878 -5.461 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.326 6.041 -8.333 1.00 0.36 H new ATOM 0 HB THR A 16 -10.587 8.340 -8.136 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.880 8.113 -5.612 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.097 8.492 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.610 7.059 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.080 6.889 -7.090 1.00 0.00 H new ATOM 262 N TYR A 17 -7.946 6.563 -7.784 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.534 6.757 -7.471 1.00 0.36 C ATOM 264 C TYR A 17 -5.963 7.903 -8.301 1.00 0.57 C ATOM 265 O TYR A 17 -6.451 8.190 -9.400 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.746 5.453 -7.678 1.00 0.14 C ATOM 267 CG TYR A 17 -5.649 4.974 -9.113 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -4.607 5.437 -9.937 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -6.586 4.058 -9.626 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -4.495 4.971 -11.254 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -6.464 3.568 -10.940 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.395 4.005 -11.753 1.00 0.08 C ATOM 273 OH TYR A 17 -5.229 3.510 -13.014 1.00 -0.53 O ATOM 0 H TYR A 17 -8.134 6.433 -8.778 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.439 7.028 -6.419 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.737 5.592 -7.290 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.211 4.668 -7.081 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -3.893 6.152 -9.555 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.406 3.728 -9.006 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -3.713 5.354 -11.893 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -7.184 2.861 -11.325 1.00 -0.15 H new ATOM 0 HH TYR A 17 -5.932 2.854 -13.203 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.913 8.554 -7.783 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.199 9.587 -8.522 1.00 0.36 C ATOM 285 C ARG A 18 -2.773 9.671 -8.003 1.00 0.57 C ATOM 286 O ARG A 18 -2.553 9.960 -6.830 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.921 10.940 -8.378 1.00 0.00 C ATOM 288 CG ARG A 18 -4.442 11.997 -9.384 1.00 0.00 C ATOM 289 CD ARG A 18 -4.821 11.634 -10.828 1.00 0.33 C ATOM 290 NE ARG A 18 -4.738 12.800 -11.727 1.00 -0.84 N ATOM 291 CZ ARG A 18 -4.757 12.763 -13.069 1.00 1.20 C ATOM 292 NH1 ARG A 18 -4.866 11.604 -13.712 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -4.669 13.892 -13.773 1.00 -0.97 N ATOM 0 H ARG A 18 -4.543 8.377 -6.849 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.176 9.334 -9.582 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.993 10.787 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.771 11.318 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.876 12.964 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.360 12.104 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.159 10.848 -11.191 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.834 11.232 -10.847 1.00 0.33 H new ATOM 0 HE ARG A 18 -4.659 13.718 -11.290 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -4.936 10.733 -13.185 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -4.880 11.586 -14.732 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -4.587 14.788 -13.292 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -4.684 13.860 -14.792 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.799 9.430 -8.876 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.399 9.498 -8.506 1.00 0.36 C ATOM 309 C ILE A 19 0.035 10.946 -8.798 1.00 0.57 C ATOM 310 O ILE A 19 0.387 11.273 -9.929 1.00 -0.57 O ATOM 311 CB ILE A 19 0.397 8.390 -9.227 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.163 6.958 -8.997 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.864 8.410 -8.769 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.083 6.104 -10.267 1.00 0.00 C ATOM 0 H ILE A 19 -1.962 9.184 -9.852 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.205 9.295 -7.453 1.00 0.36 H new ATOM 0 HB ILE A 19 0.306 8.611 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.397 6.473 -8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.200 7.022 -8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.417 7.624 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.306 9.378 -9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.912 8.242 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.484 5.111 -10.064 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.665 6.575 -11.059 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.957 6.018 -10.582 1.00 0.00 H new ATOM 326 N VAL A 20 -0.117 11.846 -7.816 1.00 -0.73 N ATOM 327 CA VAL A 20 0.129 13.291 -7.958 1.00 0.36 C ATOM 328 C VAL A 20 1.587 13.604 -8.304 1.00 0.57 C ATOM 329 O VAL A 20 1.855 14.378 -9.225 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.259 14.069 -6.676 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.740 14.465 -6.684 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.070 13.324 -5.371 1.00 0.00 C ATOM 0 H VAL A 20 -0.422 11.585 -6.878 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.504 13.616 -8.784 1.00 0.36 H new ATOM 0 HB VAL A 20 0.359 14.966 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.976 15.009 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.942 15.100 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.356 13.568 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.231 13.933 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.468 12.376 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.142 13.134 -5.321 1.00 0.00 H new ATOM 342 N SER A 21 2.521 12.996 -7.568 1.00 -0.73 N ATOM 343 CA SER A 21 3.952 13.136 -7.780 1.00 0.36 C ATOM 344 C SER A 21 4.438 11.756 -8.207 1.00 0.57 C ATOM 345 O SER A 21 3.924 10.743 -7.728 1.00 -0.57 O ATOM 346 CB SER A 21 4.650 13.700 -6.519 1.00 0.28 C ATOM 347 OG SER A 21 5.791 12.950 -6.150 1.00 -0.68 O ATOM 0 H SER A 21 2.290 12.378 -6.790 1.00 -0.73 H new ATOM 0 HA SER A 21 4.197 13.862 -8.555 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.942 14.734 -6.701 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.942 13.710 -5.690 1.00 0.28 H new ATOM 0 HG SER A 21 6.294 13.436 -5.463 1.00 -0.68 H new ATOM 353 N TYR A 22 5.432 11.741 -9.095 1.00 -0.73 N ATOM 354 CA TYR A 22 5.974 10.539 -9.696 1.00 0.36 C ATOM 355 C TYR A 22 7.483 10.516 -9.487 1.00 0.57 C ATOM 356 O TYR A 22 8.132 11.570 -9.532 1.00 -0.57 O ATOM 357 CB TYR A 22 5.657 10.498 -11.190 1.00 0.14 C ATOM 358 CG TYR A 22 4.189 10.371 -11.560 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.553 9.116 -11.496 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.489 11.480 -12.067 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.246 8.958 -11.999 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.165 11.340 -12.525 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.536 10.074 -12.504 1.00 0.08 C ATOM 364 OH TYR A 22 0.256 9.928 -12.964 1.00 -0.53 O ATOM 0 H TYR A 22 5.890 12.592 -9.420 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.521 9.667 -9.224 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.049 11.406 -11.649 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.196 9.660 -11.632 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.068 8.273 -11.060 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 3.970 12.446 -12.105 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.784 7.982 -11.999 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.629 12.202 -12.893 1.00 -0.15 H new ATOM 0 HH TYR A 22 -0.081 10.795 -13.273 1.00 -0.53 H new ATOM 374 N THR A 23 8.000 9.303 -9.262 1.00 -0.73 N ATOM 375 CA THR A 23 9.406 9.010 -9.020 1.00 0.36 C ATOM 376 C THR A 23 10.231 9.221 -10.304 1.00 0.57 C ATOM 377 O THR A 23 9.723 9.707 -11.320 1.00 -0.57 O ATOM 378 CB THR A 23 9.522 7.591 -8.410 1.00 0.28 C ATOM 379 OG1 THR A 23 10.828 7.357 -7.921 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.176 6.468 -9.391 1.00 0.00 C ATOM 0 H THR A 23 7.419 8.465 -9.244 1.00 -0.73 H new ATOM 0 HA THR A 23 9.832 9.703 -8.294 1.00 0.36 H new ATOM 0 HB THR A 23 8.791 7.571 -7.602 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.219 8.202 -7.614 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.280 5.504 -8.892 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.149 6.589 -9.735 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.852 6.510 -10.245 1.00 0.00 H new ATOM 388 N ARG A 24 11.512 8.842 -10.263 1.00 -0.73 N ATOM 389 CA ARG A 24 12.465 9.084 -11.347 1.00 0.36 C ATOM 390 C ARG A 24 13.358 7.881 -11.653 1.00 0.57 C ATOM 391 O ARG A 24 13.742 7.706 -12.815 1.00 -0.57 O ATOM 392 CB ARG A 24 13.300 10.315 -10.972 1.00 0.00 C ATOM 393 CG ARG A 24 14.216 10.803 -12.107 1.00 0.00 C ATOM 394 CD ARG A 24 13.964 12.272 -12.457 1.00 0.33 C ATOM 395 NE ARG A 24 12.819 12.431 -13.371 1.00 -0.84 N ATOM 396 CZ ARG A 24 12.333 13.603 -13.811 1.00 1.20 C ATOM 397 NH1 ARG A 24 12.809 14.755 -13.333 1.00 -0.97 N ATOM 398 NH2 ARG A 24 11.370 13.625 -14.734 1.00 -0.97 N ATOM 0 H ARG A 24 11.920 8.353 -9.466 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.906 9.259 -12.266 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.630 11.125 -10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.910 10.079 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.258 10.674 -11.813 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.056 10.187 -12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.780 12.836 -11.543 1.00 0.33 H new ATOM 0 HD3 ARG A 24 14.857 12.694 -12.918 1.00 0.33 H new ATOM 0 HE ARG A 24 12.358 11.581 -13.696 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 13.547 14.749 -12.629 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 12.435 15.641 -13.672 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 11.001 12.750 -15.107 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 11.003 14.517 -15.067 1.00 -0.97 H new ATOM 412 N ASP A 25 13.639 7.045 -10.645 1.00 -0.73 N ATOM 413 CA ASP A 25 14.372 5.786 -10.794 1.00 0.36 C ATOM 414 C ASP A 25 13.717 4.899 -11.867 1.00 0.57 C ATOM 415 O ASP A 25 14.412 4.276 -12.676 1.00 -0.57 O ATOM 416 CB ASP A 25 14.429 5.083 -9.418 1.00 0.06 C ATOM 417 CG ASP A 25 15.665 4.197 -9.214 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.139 3.632 -10.186 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.176 4.146 -7.987 1.00 -0.65 O ATOM 0 H ASP A 25 13.356 7.231 -9.683 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.390 5.982 -11.131 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.406 5.840 -8.635 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.534 4.472 -9.297 1.00 0.06 H new ATOM 425 N LEU A 26 12.374 4.944 -11.918 1.00 -0.73 N ATOM 426 CA LEU A 26 11.478 4.180 -12.784 1.00 0.36 C ATOM 427 C LEU A 26 10.348 5.085 -13.314 1.00 0.57 C ATOM 428 O LEU A 26 10.026 6.092 -12.681 1.00 -0.57 O ATOM 429 CB LEU A 26 10.902 2.948 -12.048 1.00 0.00 C ATOM 430 CG LEU A 26 10.562 3.117 -10.545 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.079 2.907 -10.251 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.340 2.100 -9.731 1.00 0.00 C ATOM 0 H LEU A 26 11.852 5.568 -11.303 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.055 3.813 -13.633 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.995 2.638 -12.567 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.618 2.132 -12.143 1.00 0.00 H new ATOM 0 HG LEU A 26 10.829 4.139 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.898 3.037 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.491 3.634 -10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.788 1.899 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.100 2.220 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.071 1.094 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.409 2.255 -9.880 1.00 0.00 H new ATOM 444 N PRO A 27 9.748 4.760 -14.480 1.00 -0.66 N ATOM 445 CA PRO A 27 8.736 5.601 -15.105 1.00 0.36 C ATOM 446 C PRO A 27 7.383 5.548 -14.380 1.00 0.57 C ATOM 447 O PRO A 27 6.977 4.531 -13.814 1.00 -0.57 O ATOM 448 CB PRO A 27 8.630 5.132 -16.559 1.00 0.00 C ATOM 449 CG PRO A 27 9.270 3.748 -16.606 1.00 0.00 C ATOM 450 CD PRO A 27 10.052 3.597 -15.302 1.00 0.30 C ATOM 0 HA PRO A 27 9.028 6.650 -15.050 1.00 0.36 H new ATOM 0 HB2 PRO A 27 7.589 5.091 -16.880 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.143 5.822 -17.229 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.511 2.971 -16.697 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.929 3.653 -17.469 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.769 2.678 -14.788 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.122 3.535 -15.500 1.00 0.30 H new ATOM 458 N HIS A 28 6.640 6.653 -14.485 1.00 -0.73 N ATOM 459 CA HIS A 28 5.316 6.844 -13.898 1.00 0.36 C ATOM 460 C HIS A 28 4.277 5.843 -14.408 1.00 0.57 C ATOM 461 O HIS A 28 3.453 5.350 -13.639 1.00 -0.57 O ATOM 462 CB HIS A 28 4.851 8.276 -14.203 1.00 0.17 C ATOM 463 CG HIS A 28 5.112 8.775 -15.600 1.00 0.18 C ATOM 464 ND1 HIS A 28 4.324 8.566 -16.707 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.178 9.536 -15.999 1.00 0.20 C ATOM 466 CE1 HIS A 28 4.924 9.158 -17.755 1.00 0.65 C ATOM 467 NE2 HIS A 28 6.075 9.749 -17.379 1.00 -0.70 N ATOM 0 H HIS A 28 6.960 7.471 -15.003 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.403 6.675 -12.825 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.780 8.337 -14.012 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.339 8.952 -13.501 1.00 0.17 H new ATOM 0 HD2 HIS A 28 6.964 9.908 -15.359 1.00 0.20 H new ATOM 0 HE1 HIS A 28 4.535 9.159 -18.763 1.00 0.65 H new ATOM 0 HE2 HIS A 28 6.735 10.248 -17.976 1.00 -0.70 H new ATOM 476 N ILE A 29 4.321 5.528 -15.706 1.00 -0.73 N ATOM 477 CA ILE A 29 3.445 4.523 -16.292 1.00 0.36 C ATOM 478 C ILE A 29 3.737 3.141 -15.698 1.00 0.57 C ATOM 479 O ILE A 29 2.801 2.383 -15.455 1.00 -0.57 O ATOM 480 CB ILE A 29 3.535 4.567 -17.835 1.00 0.00 C ATOM 481 CG1 ILE A 29 2.553 3.554 -18.459 1.00 0.00 C ATOM 482 CG2 ILE A 29 4.968 4.360 -18.368 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.142 3.935 -19.886 1.00 0.00 C ATOM 0 H ILE A 29 4.961 5.962 -16.371 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.409 4.746 -16.039 1.00 0.36 H new ATOM 0 HB ILE A 29 3.248 5.573 -18.140 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.013 2.566 -18.469 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.662 3.485 -17.834 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.961 4.402 -19.457 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.618 5.144 -17.979 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.339 3.387 -18.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.451 3.189 -20.277 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.656 4.910 -19.876 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.027 3.977 -20.521 1.00 0.00 H new ATOM 495 N THR A 30 5.010 2.840 -15.413 1.00 -0.73 N ATOM 496 CA THR A 30 5.402 1.615 -14.734 1.00 0.36 C ATOM 497 C THR A 30 4.901 1.634 -13.297 1.00 0.57 C ATOM 498 O THR A 30 4.408 0.598 -12.869 1.00 -0.57 O ATOM 499 CB THR A 30 6.917 1.400 -14.868 1.00 0.28 C ATOM 500 OG1 THR A 30 7.107 0.933 -16.188 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.541 0.402 -13.889 1.00 0.00 C ATOM 0 H THR A 30 5.795 3.447 -15.651 1.00 -0.73 H new ATOM 0 HA THR A 30 4.934 0.751 -15.205 1.00 0.36 H new ATOM 0 HB THR A 30 7.414 2.342 -14.636 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.061 0.775 -16.345 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.613 0.331 -14.076 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.372 0.741 -12.867 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.083 -0.577 -14.026 1.00 0.00 H new ATOM 509 N VAL A 31 4.939 2.773 -12.586 1.00 -0.73 N ATOM 510 CA VAL A 31 4.325 2.881 -11.261 1.00 0.36 C ATOM 511 C VAL A 31 2.838 2.547 -11.348 1.00 0.57 C ATOM 512 O VAL A 31 2.375 1.671 -10.622 1.00 -0.57 O ATOM 513 CB VAL A 31 4.557 4.269 -10.623 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.743 4.490 -9.338 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.036 4.446 -10.292 1.00 0.00 C ATOM 0 H VAL A 31 5.389 3.629 -12.910 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.809 2.157 -10.605 1.00 0.36 H new ATOM 0 HB VAL A 31 4.225 5.002 -11.358 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.952 5.483 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.680 4.405 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.019 3.738 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.193 5.426 -9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.347 3.671 -9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.625 4.367 -11.206 1.00 0.00 H new ATOM 525 N ASP A 32 2.092 3.201 -12.244 1.00 -0.73 N ATOM 526 CA ASP A 32 0.652 2.970 -12.343 1.00 0.36 C ATOM 527 C ASP A 32 0.353 1.510 -12.713 1.00 0.57 C ATOM 528 O ASP A 32 -0.521 0.882 -12.121 1.00 -0.57 O ATOM 529 CB ASP A 32 0.034 3.957 -13.344 1.00 0.06 C ATOM 530 CG ASP A 32 -1.498 3.964 -13.303 1.00 0.66 C ATOM 531 OD1 ASP A 32 -2.046 3.657 -12.257 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -2.148 4.365 -14.392 1.00 -0.65 O ATOM 0 H ASP A 32 2.459 3.887 -12.904 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.194 3.147 -11.370 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.403 4.961 -13.133 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.365 3.701 -14.351 1.00 0.06 H new ATOM 538 N ARG A 33 1.148 0.919 -13.613 1.00 -0.73 N ATOM 539 CA ARG A 33 1.061 -0.505 -13.944 1.00 0.36 C ATOM 540 C ARG A 33 1.348 -1.400 -12.742 1.00 0.57 C ATOM 541 O ARG A 33 0.590 -2.342 -12.507 1.00 -0.57 O ATOM 542 CB ARG A 33 2.028 -0.833 -15.087 1.00 0.00 C ATOM 543 CG ARG A 33 1.285 -0.892 -16.426 1.00 0.00 C ATOM 544 CD ARG A 33 2.279 -0.771 -17.583 1.00 0.33 C ATOM 545 NE ARG A 33 1.954 -1.670 -18.707 1.00 -0.84 N ATOM 546 CZ ARG A 33 2.851 -2.091 -19.612 1.00 1.20 C ATOM 547 NH1 ARG A 33 4.100 -1.640 -19.544 1.00 -0.97 N ATOM 548 NH2 ARG A 33 2.514 -2.952 -20.570 1.00 -0.97 N ATOM 0 H ARG A 33 1.871 1.417 -14.132 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.036 -0.705 -14.257 1.00 0.36 H new ATOM 0 HB2 ARG A 33 2.813 -0.078 -15.134 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.516 -1.788 -14.894 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.735 -1.830 -16.505 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.552 -0.087 -16.480 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.293 0.259 -17.939 1.00 0.33 H new ATOM 0 HD3 ARG A 33 3.282 -0.997 -17.221 1.00 0.33 H new ATOM 0 HE ARG A 33 0.990 -1.990 -18.802 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 4.366 -0.983 -18.811 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 4.792 -1.951 -20.225 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.558 -3.304 -20.626 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 3.211 -3.259 -21.248 1.00 -0.97 H new ATOM 562 N LEU A 34 2.422 -1.116 -11.998 1.00 -0.73 N ATOM 563 CA LEU A 34 2.795 -1.848 -10.793 1.00 0.36 C ATOM 564 C LEU A 34 1.672 -1.781 -9.766 1.00 0.57 C ATOM 565 O LEU A 34 1.390 -2.785 -9.118 1.00 -0.57 O ATOM 566 CB LEU A 34 4.163 -1.373 -10.271 1.00 0.00 C ATOM 567 CG LEU A 34 4.334 -1.068 -8.773 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.843 -1.083 -8.529 1.00 0.00 C ATOM 569 CD2 LEU A 34 3.844 0.299 -8.282 1.00 0.00 C ATOM 0 H LEU A 34 3.065 -0.357 -12.224 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.924 -2.905 -11.024 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.897 -2.134 -10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.428 -0.470 -10.821 1.00 0.00 H new ATOM 0 HG LEU A 34 3.734 -1.806 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.044 -0.873 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.243 -2.064 -8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.319 -0.323 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.023 0.386 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.384 1.088 -8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.777 0.396 -8.481 1.00 0.00 H new ATOM 581 N VAL A 35 1.006 -0.629 -9.662 1.00 -0.73 N ATOM 582 CA VAL A 35 -0.097 -0.442 -8.743 1.00 0.36 C ATOM 583 C VAL A 35 -1.297 -1.215 -9.279 1.00 0.57 C ATOM 584 O VAL A 35 -1.898 -1.947 -8.506 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.328 1.069 -8.476 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.789 1.522 -8.535 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.213 1.418 -7.077 1.00 0.00 C ATOM 0 H VAL A 35 1.224 0.197 -10.219 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.114 -0.852 -7.755 1.00 0.36 H new ATOM 0 HB VAL A 35 0.195 1.588 -9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.847 2.592 -8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.194 1.315 -9.526 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.368 0.982 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.055 2.478 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.312 0.827 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.279 1.196 -7.033 1.00 0.00 H new ATOM 597 N SER A 36 -1.601 -1.153 -10.580 1.00 -0.73 N ATOM 598 CA SER A 36 -2.688 -1.924 -11.168 1.00 0.36 C ATOM 599 C SER A 36 -2.512 -3.418 -10.887 1.00 0.57 C ATOM 600 O SER A 36 -3.454 -4.036 -10.399 1.00 -0.57 O ATOM 601 CB SER A 36 -2.822 -1.629 -12.672 1.00 0.28 C ATOM 602 OG SER A 36 -3.927 -0.771 -12.910 1.00 -0.68 O ATOM 0 H SER A 36 -1.099 -0.568 -11.248 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.622 -1.616 -10.697 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.907 -1.166 -13.041 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.952 -2.561 -13.222 1.00 0.28 H new ATOM 0 HG SER A 36 -4.000 -0.590 -13.870 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.329 -4.009 -11.120 1.00 -0.73 N ATOM 609 CA LYS A 37 -1.127 -5.433 -10.819 1.00 0.36 C ATOM 610 C LYS A 37 -1.105 -5.708 -9.306 1.00 0.57 C ATOM 611 O LYS A 37 -1.704 -6.690 -8.873 1.00 -0.57 O ATOM 612 CB LYS A 37 0.107 -5.992 -11.548 1.00 0.00 C ATOM 613 CG LYS A 37 1.411 -5.349 -11.068 1.00 0.00 C ATOM 614 CD LYS A 37 2.659 -5.825 -11.812 1.00 0.00 C ATOM 615 CE LYS A 37 3.029 -7.247 -11.373 1.00 0.50 C ATOM 616 NZ LYS A 37 2.950 -8.210 -12.484 1.00 -0.85 N ATOM 0 H LYS A 37 -0.514 -3.534 -11.508 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.989 -5.975 -11.207 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.159 -7.070 -11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.003 -5.828 -12.620 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.330 -4.267 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.535 -5.556 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.480 -5.804 -12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.490 -5.148 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.040 -7.248 -10.965 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.361 -7.564 -10.572 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.208 -9.157 -12.141 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 1.980 -8.230 -12.858 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.606 -7.924 -13.239 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.472 -4.858 -8.486 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.437 -5.026 -7.032 1.00 0.36 C ATOM 632 C ALA A 38 -1.843 -4.981 -6.434 1.00 0.57 C ATOM 633 O ALA A 38 -2.200 -5.780 -5.569 1.00 -0.57 O ATOM 634 CB ALA A 38 0.407 -3.905 -6.421 1.00 0.00 C ATOM 0 H ALA A 38 0.030 -4.034 -8.816 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.001 -6.000 -6.807 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.438 -4.022 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.420 -3.953 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.035 -2.940 -6.669 1.00 0.00 H new ATOM 640 N LEU A 39 -2.654 -4.045 -6.923 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.040 -3.898 -6.531 1.00 0.36 C ATOM 642 C LEU A 39 -4.894 -5.015 -7.109 1.00 0.57 C ATOM 643 O LEU A 39 -5.838 -5.426 -6.442 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.565 -2.536 -6.990 1.00 0.00 C ATOM 645 CG LEU A 39 -4.038 -1.345 -6.172 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.635 -0.053 -6.742 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.416 -1.472 -4.691 1.00 0.00 C ATOM 0 H LEU A 39 -2.353 -3.359 -7.615 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.100 -3.960 -5.444 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.296 -2.390 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.654 -2.543 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.950 -1.329 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.269 0.800 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.339 0.055 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.722 -0.094 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.028 -0.614 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.501 -1.505 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.988 -2.388 -4.283 1.00 0.00 H new ATOM 659 N ASN A 40 -4.564 -5.549 -8.291 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.195 -6.766 -8.795 1.00 0.36 C ATOM 661 C ASN A 40 -4.922 -7.923 -7.831 1.00 0.57 C ATOM 662 O ASN A 40 -5.831 -8.679 -7.517 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.701 -7.099 -10.216 1.00 0.06 C ATOM 664 CG ASN A 40 -5.711 -7.894 -11.037 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.523 -8.651 -10.517 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.696 -7.711 -12.353 1.00 -0.80 N ATOM 0 H ASN A 40 -3.861 -5.153 -8.915 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.271 -6.605 -8.856 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.469 -6.171 -10.739 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.773 -7.667 -10.146 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.366 -8.203 -12.944 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -5.015 -7.078 -12.772 1.00 -0.80 H new ATOM 673 N MET A 41 -3.701 -8.032 -7.290 1.00 -0.73 N ATOM 674 CA MET A 41 -3.370 -9.062 -6.306 1.00 0.36 C ATOM 675 C MET A 41 -4.164 -8.906 -4.998 1.00 0.57 C ATOM 676 O MET A 41 -4.541 -9.916 -4.410 1.00 -0.57 O ATOM 677 CB MET A 41 -1.854 -9.110 -6.055 1.00 0.00 C ATOM 678 CG MET A 41 -1.103 -9.637 -7.282 1.00 0.23 C ATOM 679 SD MET A 41 0.584 -10.196 -6.948 1.00 -0.46 S ATOM 680 CE MET A 41 1.530 -8.850 -7.711 1.00 0.23 C ATOM 0 H MET A 41 -2.924 -7.413 -7.522 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.671 -10.021 -6.728 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.493 -8.112 -5.806 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.645 -9.748 -5.196 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.668 -10.465 -7.710 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.069 -8.851 -8.036 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.595 -9.015 -7.546 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.328 -8.825 -8.782 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.236 -7.900 -7.264 1.00 0.23 H new ATOM 690 N TRP A 42 -4.480 -7.678 -4.566 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.402 -7.449 -3.447 1.00 0.36 C ATOM 692 C TRP A 42 -6.852 -7.769 -3.845 1.00 0.57 C ATOM 693 O TRP A 42 -7.558 -8.503 -3.148 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.251 -5.997 -2.955 1.00 0.18 C ATOM 695 CG TRP A 42 -4.256 -5.845 -1.846 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.920 -6.027 -1.937 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.522 -5.616 -0.432 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.357 -5.971 -0.676 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.313 -5.782 0.297 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.680 -5.336 0.315 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.278 -5.747 1.700 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.649 -5.317 1.719 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.459 -5.544 2.421 1.00 -0.15 C ATOM 0 H TRP A 42 -4.107 -6.823 -4.978 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.149 -8.123 -2.629 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.950 -5.367 -3.792 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.221 -5.634 -2.615 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.375 -6.191 -2.855 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.358 -6.059 -0.489 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.608 -5.132 -0.199 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.341 -5.877 2.221 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.559 -5.124 2.267 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.453 -5.562 3.501 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.285 -7.267 -5.005 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.616 -7.476 -5.567 1.00 0.36 C ATOM 716 C GLY A 43 -8.839 -8.895 -6.109 1.00 0.57 C ATOM 717 O GLY A 43 -9.894 -9.200 -6.663 1.00 -0.57 O ATOM 0 H GLY A 43 -6.694 -6.683 -5.597 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.362 -7.268 -4.800 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.778 -6.759 -6.372 1.00 0.36 H new ATOM 721 N LYS A 44 -7.845 -9.776 -5.975 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.967 -11.188 -6.300 1.00 0.36 C ATOM 723 C LYS A 44 -8.829 -11.921 -5.271 1.00 0.57 C ATOM 724 O LYS A 44 -9.404 -12.964 -5.583 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.569 -11.819 -6.383 1.00 0.00 C ATOM 726 CG LYS A 44 -6.383 -12.548 -7.717 1.00 0.00 C ATOM 727 CD LYS A 44 -5.271 -13.587 -7.595 1.00 0.00 C ATOM 728 CE LYS A 44 -4.978 -14.182 -8.979 1.00 0.50 C ATOM 729 NZ LYS A 44 -3.531 -14.182 -9.278 1.00 -0.85 N ATOM 0 H LYS A 44 -6.920 -9.518 -5.631 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.461 -11.281 -7.267 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.808 -11.046 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.430 -12.518 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.315 -13.033 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.138 -11.832 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.371 -13.127 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.568 -14.375 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.359 -15.202 -9.025 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.507 -13.610 -9.741 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.371 -14.591 -10.221 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.173 -13.206 -9.259 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -3.029 -14.749 -8.565 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.945 -11.368 -4.055 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.806 -11.914 -3.015 1.00 0.36 C ATOM 745 C GLU A 45 -11.051 -11.030 -2.831 1.00 0.57 C ATOM 746 O GLU A 45 -12.145 -11.578 -2.682 1.00 -0.57 O ATOM 747 CB GLU A 45 -9.018 -12.082 -1.703 1.00 0.00 C ATOM 748 CG GLU A 45 -8.680 -13.539 -1.321 1.00 0.06 C ATOM 749 CD GLU A 45 -7.478 -14.183 -2.038 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.677 -15.164 -2.736 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.270 -13.698 -1.767 1.00 -0.65 O ATOM 0 H GLU A 45 -8.440 -10.528 -3.772 1.00 -0.73 H new ATOM 0 HA GLU A 45 -10.151 -12.903 -3.318 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.088 -11.519 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.594 -11.635 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.494 -13.575 -0.248 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -9.560 -14.154 -1.513 1.00 0.06 H new ATOM 759 N ILE A 46 -10.925 -9.691 -2.884 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.074 -8.786 -2.753 1.00 0.36 C ATOM 761 C ILE A 46 -12.502 -8.259 -4.123 1.00 0.57 C ATOM 762 O ILE A 46 -11.647 -7.804 -4.870 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.812 -7.612 -1.780 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.509 -6.816 -2.017 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.887 -8.195 -0.372 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.328 -5.614 -1.081 1.00 0.00 C ATOM 0 H ILE A 46 -10.033 -9.214 -3.017 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.885 -9.374 -2.323 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.573 -6.850 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.659 -7.488 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.494 -6.465 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.709 -7.406 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.875 -8.625 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.131 -8.972 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.390 -5.110 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.157 -4.919 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.309 -5.958 -0.047 1.00 0.00 H new ATOM 778 N PRO A 47 -13.809 -8.227 -4.450 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.304 -7.734 -5.736 1.00 0.36 C ATOM 780 C PRO A 47 -14.230 -6.195 -5.851 1.00 0.57 C ATOM 781 O PRO A 47 -15.163 -5.565 -6.343 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.719 -8.321 -5.860 1.00 0.00 C ATOM 783 CG PRO A 47 -16.193 -8.513 -4.420 1.00 0.00 C ATOM 784 CD PRO A 47 -14.904 -8.728 -3.628 1.00 0.30 C ATOM 0 HA PRO A 47 -13.685 -8.055 -6.574 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.379 -7.648 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.708 -9.267 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.740 -7.641 -4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.862 -9.369 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.944 -8.199 -2.676 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.763 -9.785 -3.400 1.00 0.30 H new ATOM 792 N LEU A 48 -13.149 -5.576 -5.367 1.00 -0.73 N ATOM 793 CA LEU A 48 -12.961 -4.136 -5.288 1.00 0.36 C ATOM 794 C LEU A 48 -12.050 -3.724 -6.444 1.00 0.57 C ATOM 795 O LEU A 48 -11.043 -4.383 -6.700 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.375 -3.790 -3.906 1.00 0.00 C ATOM 797 CG LEU A 48 -12.777 -2.387 -3.411 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.636 -2.304 -1.890 1.00 0.00 C ATOM 799 CD2 LEU A 48 -11.943 -1.274 -4.034 1.00 0.00 C ATOM 0 H LEU A 48 -12.349 -6.094 -5.005 1.00 -0.73 H new ATOM 0 HA LEU A 48 -13.898 -3.587 -5.384 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.707 -4.533 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.288 -3.854 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.814 -2.242 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.923 -1.308 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.284 -3.046 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.601 -2.498 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.274 -0.311 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.892 -1.424 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.065 -1.290 -5.117 1.00 0.00 H new ATOM 811 N HIS A 49 -12.423 -2.648 -7.143 1.00 -0.73 N ATOM 812 CA HIS A 49 -11.736 -2.191 -8.344 1.00 0.36 C ATOM 813 C HIS A 49 -11.435 -0.697 -8.227 1.00 0.57 C ATOM 814 O HIS A 49 -11.925 -0.015 -7.326 1.00 -0.57 O ATOM 815 CB HIS A 49 -12.592 -2.489 -9.585 1.00 0.17 C ATOM 816 CG HIS A 49 -12.997 -3.936 -9.742 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.055 -4.565 -9.121 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -12.391 -4.869 -10.541 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.080 -5.840 -9.545 1.00 0.65 C ATOM 820 NE2 HIS A 49 -13.091 -6.073 -10.422 1.00 -0.70 N ATOM 0 H HIS A 49 -13.220 -2.067 -6.884 1.00 -0.73 H new ATOM 0 HA HIS A 49 -10.792 -2.725 -8.450 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -13.493 -1.877 -9.543 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.039 -2.183 -10.473 1.00 0.17 H new ATOM 0 HD2 HIS A 49 -11.520 -4.703 -11.158 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -14.800 -6.578 -9.223 1.00 0.65 H new ATOM 0 HE2 HIS A 49 -12.891 -6.950 -10.903 1.00 -0.70 H new ATOM 829 N PHE A 50 -10.637 -0.172 -9.158 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.073 1.162 -9.042 1.00 0.36 C ATOM 831 C PHE A 50 -10.166 1.858 -10.402 1.00 0.57 C ATOM 832 O PHE A 50 -10.297 1.193 -11.440 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.630 1.104 -8.490 1.00 0.14 C ATOM 834 CG PHE A 50 -8.377 0.036 -7.434 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.233 -1.311 -7.823 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.314 0.372 -6.066 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.123 -2.323 -6.854 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.137 -0.636 -5.101 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.061 -1.985 -5.493 1.00 -0.15 C ATOM 0 H PHE A 50 -10.367 -0.663 -10.010 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.643 1.751 -8.323 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -7.947 0.936 -9.323 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.382 2.077 -8.065 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.207 -1.567 -8.872 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.402 1.404 -5.759 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.086 -3.359 -7.156 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.059 -0.374 -4.056 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -7.955 -2.759 -4.748 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.120 3.193 -10.391 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.243 4.036 -11.575 1.00 0.36 C ATOM 851 C ARG A 51 -9.393 5.296 -11.421 1.00 0.57 C ATOM 852 O ARG A 51 -9.108 5.734 -10.305 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.724 4.422 -11.778 1.00 0.00 C ATOM 854 CG ARG A 51 -12.481 3.507 -12.752 1.00 0.00 C ATOM 855 CD ARG A 51 -11.899 3.586 -14.175 1.00 0.33 C ATOM 856 NE ARG A 51 -12.935 3.467 -15.218 1.00 -0.84 N ATOM 857 CZ ARG A 51 -13.491 2.338 -15.683 1.00 1.20 C ATOM 858 NH1 ARG A 51 -13.079 1.147 -15.246 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -14.485 2.403 -16.571 1.00 -0.97 N ATOM 0 H ARG A 51 -9.992 3.728 -9.532 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.888 3.483 -12.445 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.229 4.404 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.774 5.447 -12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.434 2.478 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.534 3.789 -12.773 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.373 4.533 -14.297 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -11.163 2.793 -14.307 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.265 4.339 -15.631 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -12.334 1.088 -14.552 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -13.509 0.295 -15.606 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -14.821 3.310 -16.895 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -14.909 1.546 -16.926 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.048 5.906 -12.559 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.174 7.066 -12.632 1.00 0.36 C ATOM 875 C LYS A 52 -8.999 8.264 -13.092 1.00 0.57 C ATOM 876 O LYS A 52 -9.406 8.357 -14.258 1.00 -0.57 O ATOM 877 CB LYS A 52 -6.989 6.762 -13.559 1.00 0.00 C ATOM 878 CG LYS A 52 -5.758 7.601 -13.185 1.00 0.00 C ATOM 879 CD LYS A 52 -4.571 7.294 -14.117 1.00 0.00 C ATOM 880 CE LYS A 52 -4.255 8.510 -14.990 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.797 8.164 -16.351 1.00 -0.85 N ATOM 0 H LYS A 52 -9.380 5.595 -13.472 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.752 7.306 -11.656 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.741 5.702 -13.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.271 6.966 -14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.005 8.661 -13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.475 7.397 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.696 7.024 -13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.807 6.436 -14.747 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.146 9.134 -15.064 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.487 9.108 -14.499 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.602 9.036 -16.884 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.929 7.594 -16.291 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.537 7.619 -16.838 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.279 9.148 -12.137 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.010 10.384 -12.356 1.00 0.36 C ATOM 897 C VAL A 53 -9.097 11.412 -13.034 1.00 0.57 C ATOM 898 O VAL A 53 -7.871 11.341 -12.919 1.00 -0.57 O ATOM 899 CB VAL A 53 -10.580 10.895 -11.015 1.00 0.00 C ATOM 900 CG1 VAL A 53 -11.634 9.916 -10.471 1.00 0.00 C ATOM 901 CG2 VAL A 53 -9.504 11.121 -9.942 1.00 0.00 C ATOM 0 H VAL A 53 -8.994 9.017 -11.166 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.854 10.210 -13.023 1.00 0.36 H new ATOM 0 HB VAL A 53 -11.033 11.862 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.025 10.291 -9.525 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.448 9.822 -11.189 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.176 8.940 -10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.973 11.480 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.987 10.182 -9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.787 11.862 -10.296 1.00 0.00 H new ATOM 911 N VAL A 54 -9.697 12.392 -13.713 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.989 13.396 -14.509 1.00 0.36 C ATOM 913 C VAL A 54 -8.698 14.658 -13.671 1.00 0.57 C ATOM 914 O VAL A 54 -8.679 15.773 -14.192 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.744 13.646 -15.839 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.887 12.333 -16.634 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.144 14.266 -15.671 1.00 0.00 C ATOM 0 H VAL A 54 -10.710 12.512 -13.725 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.005 13.027 -14.797 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.133 14.372 -16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.420 12.527 -17.565 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.898 11.934 -16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.445 11.608 -16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.600 14.406 -16.651 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.767 13.601 -15.073 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.057 15.230 -15.170 1.00 0.00 H new ATOM 927 N TRP A 55 -8.488 14.487 -12.358 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.312 15.576 -11.402 1.00 0.36 C ATOM 929 C TRP A 55 -7.252 15.189 -10.366 1.00 0.57 C ATOM 930 O TRP A 55 -7.033 14.008 -10.110 1.00 -0.57 O ATOM 931 CB TRP A 55 -9.658 15.916 -10.729 1.00 0.18 C ATOM 932 CG TRP A 55 -10.058 17.357 -10.839 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -9.410 18.401 -10.275 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -11.192 17.943 -11.556 1.00 0.00 C ATOM 935 NE1 TRP A 55 -10.020 19.584 -10.633 1.00 0.03 N ATOM 936 CE2 TRP A 55 -11.149 19.361 -11.389 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.255 17.424 -12.327 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.108 20.217 -11.954 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -13.226 18.272 -12.895 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -13.155 19.665 -12.710 1.00 -0.15 C ATOM 0 H TRP A 55 -8.436 13.564 -11.927 1.00 -0.73 H new ATOM 0 HA TRP A 55 -7.967 16.467 -11.926 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.439 15.300 -11.174 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -9.602 15.647 -9.674 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -8.542 18.320 -9.638 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -9.678 20.509 -10.371 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -12.325 16.358 -12.484 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -12.041 21.285 -11.809 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -14.032 17.849 -13.477 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -13.904 20.308 -13.148 1.00 -0.15 H new ATOM 951 N GLY A 56 -6.611 16.187 -9.749 1.00 -0.73 N ATOM 952 CA GLY A 56 -5.541 16.016 -8.764 1.00 0.36 C ATOM 953 C GLY A 56 -6.037 15.676 -7.354 1.00 0.57 C ATOM 954 O GLY A 56 -5.439 16.134 -6.379 1.00 -0.57 O ATOM 0 H GLY A 56 -6.831 17.167 -9.928 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -4.873 15.225 -9.103 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -4.953 16.933 -8.719 1.00 0.36 H new ATOM 958 N THR A 57 -7.127 14.909 -7.249 1.00 -0.73 N ATOM 959 CA THR A 57 -7.800 14.540 -6.008 1.00 0.36 C ATOM 960 C THR A 57 -8.439 13.178 -6.262 1.00 0.57 C ATOM 961 O THR A 57 -9.089 13.003 -7.292 1.00 -0.57 O ATOM 962 CB THR A 57 -8.871 15.599 -5.669 1.00 0.28 C ATOM 963 OG1 THR A 57 -8.247 16.786 -5.228 1.00 -0.68 O ATOM 964 CG2 THR A 57 -9.851 15.173 -4.568 1.00 0.00 C ATOM 0 H THR A 57 -7.583 14.511 -8.070 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.111 14.491 -5.165 1.00 0.36 H new ATOM 0 HB THR A 57 -9.436 15.739 -6.591 1.00 0.28 H new ATOM 0 HG1 THR A 57 -8.930 17.455 -5.016 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -10.570 15.973 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.380 14.273 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.300 14.970 -3.649 1.00 0.00 H new ATOM 972 N ALA A 58 -8.259 12.228 -5.338 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.813 10.886 -5.416 1.00 0.36 C ATOM 974 C ALA A 58 -8.793 10.254 -4.018 1.00 0.57 C ATOM 975 O ALA A 58 -8.248 10.831 -3.070 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.980 10.061 -6.403 1.00 0.00 C ATOM 0 H ALA A 58 -7.707 12.383 -4.494 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.844 10.916 -5.769 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.388 9.052 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.012 10.530 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.948 10.013 -6.057 1.00 0.00 H new ATOM 982 N ASP A 59 -9.381 9.064 -3.894 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.437 8.330 -2.629 1.00 0.36 C ATOM 984 C ASP A 59 -8.055 7.774 -2.273 1.00 0.57 C ATOM 985 O ASP A 59 -7.723 7.722 -1.091 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.461 7.189 -2.682 1.00 0.06 C ATOM 987 CG ASP A 59 -11.791 7.621 -3.292 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.080 7.104 -4.359 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.464 8.600 -2.695 1.00 -0.65 O ATOM 0 H ASP A 59 -9.833 8.580 -4.670 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.753 9.031 -1.857 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.050 6.364 -3.264 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.633 6.813 -1.673 1.00 0.06 H new ATOM 995 N ILE A 60 -7.256 7.437 -3.296 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.927 6.829 -3.221 1.00 0.36 C ATOM 997 C ILE A 60 -4.945 7.748 -3.969 1.00 0.57 C ATOM 998 O ILE A 60 -4.450 7.452 -5.063 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.939 5.387 -3.784 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.161 4.536 -3.403 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.659 4.635 -3.405 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.310 4.184 -1.925 1.00 0.00 C ATOM 0 H ILE A 60 -7.544 7.594 -4.262 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.607 6.736 -2.183 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.000 5.529 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.059 5.067 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.122 3.608 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.696 3.625 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.795 5.160 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.575 4.584 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.208 3.583 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.438 3.618 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.390 5.100 -1.339 1.00 0.00 H new ATOM 1014 N MET A 61 -4.728 8.931 -3.404 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.688 9.853 -3.802 1.00 0.36 C ATOM 1016 C MET A 61 -2.347 9.243 -3.392 1.00 0.57 C ATOM 1017 O MET A 61 -2.079 9.028 -2.212 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.933 11.232 -3.173 1.00 0.00 C ATOM 1019 CG MET A 61 -2.938 12.296 -3.629 1.00 0.23 C ATOM 1020 SD MET A 61 -1.672 12.716 -2.387 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.001 14.492 -2.222 1.00 0.23 C ATOM 0 H MET A 61 -5.295 9.279 -2.631 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.686 10.010 -4.881 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.943 11.561 -3.420 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.884 11.141 -2.088 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.441 11.948 -4.535 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.486 13.200 -3.893 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.313 14.923 -1.495 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.861 14.979 -3.187 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.027 14.642 -1.885 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.510 8.955 -4.383 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.183 8.394 -4.189 1.00 0.36 C ATOM 1033 C ILE A 62 0.769 9.539 -4.528 1.00 0.57 C ATOM 1034 O ILE A 62 0.612 10.183 -5.565 1.00 -0.57 O ATOM 1035 CB ILE A 62 -0.020 7.146 -5.089 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -1.008 6.012 -4.715 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.409 6.596 -5.031 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.548 5.297 -5.959 1.00 0.00 C ATOM 0 H ILE A 62 -1.743 9.109 -5.364 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.016 8.039 -3.178 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.243 7.480 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.507 5.291 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.839 6.427 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.488 5.720 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.107 7.361 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.650 6.316 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.237 4.509 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.072 6.013 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.719 4.860 -6.516 1.00 0.00 H new ATOM 1050 N GLY A 63 1.743 9.840 -3.668 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.640 10.961 -3.919 1.00 0.36 C ATOM 1052 C GLY A 63 3.986 10.753 -3.262 1.00 0.57 C ATOM 1053 O GLY A 63 4.078 10.098 -2.228 1.00 -0.57 O ATOM 0 H GLY A 63 1.927 9.330 -2.804 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.774 11.087 -4.993 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.189 11.880 -3.544 1.00 0.36 H new ATOM 1057 N PHE A 64 5.039 11.313 -3.849 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.400 11.043 -3.412 1.00 0.36 C ATOM 1059 C PHE A 64 7.115 12.365 -3.145 1.00 0.57 C ATOM 1060 O PHE A 64 6.869 13.361 -3.842 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.121 10.165 -4.450 1.00 0.14 C ATOM 1062 CG PHE A 64 6.285 9.062 -5.091 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.533 8.174 -4.307 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.238 8.940 -6.488 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.753 7.174 -4.908 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 5.469 7.929 -7.097 1.00 -0.15 C ATOM 1067 CZ PHE A 64 4.720 7.051 -6.305 1.00 -0.15 C ATOM 0 H PHE A 64 4.972 11.961 -4.634 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.398 10.481 -2.478 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.501 10.811 -5.241 1.00 0.14 H new ATOM 0 HB3 PHE A 64 7.985 9.706 -3.970 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.555 8.261 -3.231 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 6.798 9.629 -7.103 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.177 6.498 -4.294 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 5.457 7.832 -8.173 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.119 6.282 -6.768 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.969 12.361 -2.121 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.655 13.541 -1.606 1.00 0.36 C ATOM 1079 C ALA A 65 10.066 13.160 -1.155 1.00 0.57 C ATOM 1080 O ALA A 65 10.352 11.979 -1.003 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.851 14.086 -0.424 1.00 0.00 C ATOM 0 H ALA A 65 8.208 11.509 -1.613 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.735 14.303 -2.382 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.347 14.970 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.848 14.353 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.784 13.324 0.353 1.00 0.00 H new ATOM 1087 N ARG A 66 10.933 14.149 -0.908 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.328 13.912 -0.506 1.00 0.36 C ATOM 1089 C ARG A 66 12.511 13.923 1.020 1.00 0.57 C ATOM 1090 O ARG A 66 13.434 13.308 1.545 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.205 15.001 -1.153 1.00 0.00 C ATOM 1092 CG ARG A 66 14.725 14.820 -0.923 1.00 0.00 C ATOM 1093 CD ARG A 66 15.432 16.151 -0.651 1.00 0.33 C ATOM 1094 NE ARG A 66 15.579 16.940 -1.881 1.00 -0.84 N ATOM 1095 CZ ARG A 66 15.894 18.242 -1.965 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.097 18.980 -0.872 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 16.004 18.806 -3.165 1.00 -0.97 N ATOM 0 H ARG A 66 10.689 15.137 -0.981 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.623 12.919 -0.846 1.00 0.36 H new ATOM 0 HB2 ARG A 66 13.012 15.016 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.904 15.973 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.886 14.147 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.169 14.347 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.865 16.722 0.084 1.00 0.33 H new ATOM 0 HD3 ARG A 66 16.415 15.961 -0.219 1.00 0.33 H new ATOM 0 HE ARG A 66 15.426 16.448 -2.761 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.014 18.556 0.052 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.335 19.968 -0.961 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 15.849 18.250 -4.006 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 16.243 19.795 -3.244 1.00 -0.97 H new ATOM 1111 N GLY A 67 11.683 14.683 1.740 1.00 -0.73 N ATOM 1112 CA GLY A 67 11.867 14.862 3.176 1.00 0.36 C ATOM 1113 C GLY A 67 10.721 15.634 3.806 1.00 0.57 C ATOM 1114 O GLY A 67 10.236 15.245 4.855 1.00 -0.57 O ATOM 0 H GLY A 67 10.882 15.181 1.351 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 11.953 13.886 3.655 1.00 0.36 H new ATOM 0 HA3 GLY A 67 12.803 15.390 3.358 1.00 0.36 H new ATOM 1118 N ALA A 68 10.184 16.660 3.140 1.00 -0.73 N ATOM 1119 CA ALA A 68 8.980 17.340 3.598 1.00 0.36 C ATOM 1120 C ALA A 68 7.989 17.415 2.443 1.00 0.57 C ATOM 1121 O ALA A 68 8.386 17.392 1.276 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.340 18.715 4.168 1.00 0.00 C ATOM 0 H ALA A 68 10.572 17.037 2.275 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.505 16.785 4.407 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.434 19.216 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.024 18.593 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.819 19.316 3.394 1.00 0.00 H new ATOM 1128 N HIS A 69 6.700 17.456 2.782 1.00 -0.73 N ATOM 1129 CA HIS A 69 5.603 17.510 1.830 1.00 0.36 C ATOM 1130 C HIS A 69 4.373 18.109 2.514 1.00 0.57 C ATOM 1131 O HIS A 69 4.240 18.039 3.739 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.324 16.120 1.229 1.00 0.17 C ATOM 1133 CG HIS A 69 5.198 14.941 2.177 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.157 14.433 3.029 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.128 14.092 2.248 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.645 13.346 3.634 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.407 13.087 3.180 1.00 -0.70 N ATOM 0 H HIS A 69 6.388 17.452 3.753 1.00 -0.73 H new ATOM 0 HA HIS A 69 5.874 18.154 0.994 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.400 16.185 0.654 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.124 15.896 0.523 1.00 0.17 H new ATOM 0 HD1 HIS A 69 7.091 14.815 3.175 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 3.216 14.183 1.677 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.159 12.761 4.383 1.00 0.65 H new ATOM 1146 N GLY A 70 3.483 18.694 1.702 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.262 19.383 2.119 1.00 0.36 C ATOM 1148 C GLY A 70 1.158 18.417 2.542 1.00 0.57 C ATOM 1149 O GLY A 70 0.071 18.414 1.964 1.00 -0.57 O ATOM 0 H GLY A 70 3.604 18.698 0.689 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 2.492 20.052 2.948 1.00 0.36 H new ATOM 0 HA3 GLY A 70 1.902 20.004 1.299 1.00 0.36 H new ATOM 1153 N ASP A 71 1.472 17.584 3.531 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.633 16.505 4.026 1.00 0.36 C ATOM 1155 C ASP A 71 0.254 16.793 5.480 1.00 0.57 C ATOM 1156 O ASP A 71 -0.818 17.335 5.740 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.410 15.192 3.846 1.00 0.06 C ATOM 1158 CG ASP A 71 0.903 14.070 4.744 1.00 0.66 C ATOM 1159 OD1 ASP A 71 -0.282 13.788 4.668 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.797 13.488 5.539 1.00 -0.65 O ATOM 0 H ASP A 71 2.360 17.649 4.029 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.303 16.420 3.474 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.341 14.876 2.805 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.465 15.369 4.056 1.00 0.06 H new ATOM 1166 N SER A 72 1.141 16.464 6.422 1.00 -0.73 N ATOM 1167 CA SER A 72 0.878 16.509 7.858 1.00 0.36 C ATOM 1168 C SER A 72 2.124 16.096 8.645 1.00 0.57 C ATOM 1169 O SER A 72 2.307 16.573 9.771 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.271 15.547 8.219 1.00 0.28 C ATOM 1171 OG SER A 72 -1.077 16.067 9.267 1.00 -0.68 O ATOM 0 H SER A 72 2.086 16.151 6.199 1.00 -0.73 H new ATOM 0 HA SER A 72 0.603 17.531 8.118 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.888 15.369 7.338 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.141 14.584 8.519 1.00 0.28 H new ATOM 0 HG SER A 72 -1.797 15.434 9.471 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.974 15.233 8.065 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.195 14.756 8.695 1.00 0.36 C ATOM 1179 C TYR A 73 5.301 14.761 7.641 1.00 0.57 C ATOM 1180 O TYR A 73 5.149 14.092 6.617 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.973 13.340 9.248 1.00 0.14 C ATOM 1182 CG TYR A 73 2.924 13.289 10.338 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.267 13.631 11.659 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.591 12.964 10.019 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.281 13.669 12.661 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.595 13.020 11.010 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.936 13.376 12.334 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.034 13.434 13.289 1.00 -0.53 O ATOM 0 H TYR A 73 2.822 14.848 7.133 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.479 15.400 9.527 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.675 12.680 8.433 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.915 12.957 9.640 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.292 13.865 11.905 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.334 12.671 9.012 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.549 13.921 13.676 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.430 12.791 10.759 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.899 13.204 12.891 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.406 15.499 7.850 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.560 15.362 6.990 1.00 0.36 C ATOM 1200 C PRO A 74 8.147 13.957 7.167 1.00 0.57 C ATOM 1201 O PRO A 74 8.133 13.384 8.258 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.518 16.492 7.373 1.00 0.00 C ATOM 1203 CG PRO A 74 8.121 16.892 8.794 1.00 0.00 C ATOM 1204 CD PRO A 74 6.704 16.348 8.993 1.00 0.30 C ATOM 0 HA PRO A 74 7.327 15.454 5.929 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.555 16.159 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.427 17.334 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.809 16.471 9.527 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.147 17.975 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.636 15.781 9.922 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.985 17.164 9.064 1.00 0.30 H new ATOM 1212 N PHE A 75 8.642 13.421 6.056 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.480 12.242 5.995 1.00 0.36 C ATOM 1214 C PHE A 75 10.838 12.493 6.672 1.00 0.57 C ATOM 1215 O PHE A 75 11.074 13.485 7.362 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.621 11.815 4.512 1.00 0.14 C ATOM 1217 CG PHE A 75 8.611 10.787 4.059 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.447 9.586 4.782 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.852 11.014 2.899 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.460 8.667 4.402 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 6.872 10.089 2.514 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.657 8.934 3.287 1.00 -0.15 C ATOM 0 H PHE A 75 8.458 13.819 5.135 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.019 11.424 6.548 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.528 12.699 3.882 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.623 11.415 4.355 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.083 9.375 5.629 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.023 11.900 2.305 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.319 7.757 4.967 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.283 10.263 1.626 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.867 8.248 3.019 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.723 11.521 6.491 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.003 11.330 7.140 1.00 0.36 C ATOM 1234 C ASP A 76 14.135 11.361 6.105 1.00 0.57 C ATOM 1235 O ASP A 76 15.216 11.838 6.451 1.00 -0.57 O ATOM 1236 CB ASP A 76 12.969 9.932 7.795 1.00 0.06 C ATOM 1237 CG ASP A 76 12.535 8.781 6.864 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.010 9.010 5.787 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.720 7.528 7.271 1.00 -0.65 O ATOM 0 H ASP A 76 11.539 10.776 5.819 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.179 12.119 7.872 1.00 0.36 H new ATOM 0 HB2 ASP A 76 13.961 9.707 8.186 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.290 9.964 8.647 1.00 0.06 H new ATOM 1245 N GLY A 77 13.915 10.887 4.869 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.923 10.813 3.823 1.00 0.36 C ATOM 1247 C GLY A 77 15.542 9.411 3.749 1.00 0.57 C ATOM 1248 O GLY A 77 14.865 8.435 4.079 1.00 -0.57 O ATOM 0 H GLY A 77 13.004 10.538 4.571 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.474 11.067 2.863 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.704 11.549 4.014 1.00 0.36 H new ATOM 1252 N PRO A 78 16.813 9.287 3.318 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.510 8.021 3.121 1.00 0.36 C ATOM 1254 C PRO A 78 17.819 7.322 4.453 1.00 0.57 C ATOM 1255 O PRO A 78 18.766 7.694 5.151 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.764 8.367 2.306 1.00 0.00 C ATOM 1257 CG PRO A 78 19.037 9.841 2.603 1.00 0.00 C ATOM 1258 CD PRO A 78 17.689 10.412 3.035 1.00 0.30 C ATOM 0 HA PRO A 78 16.897 7.296 2.586 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.609 7.743 2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.600 8.203 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.784 9.954 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.420 10.357 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.803 11.041 3.918 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.268 11.039 2.249 1.00 0.30 H new ATOM 1266 N GLY A 79 17.030 6.300 4.795 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.140 5.493 6.005 1.00 0.36 C ATOM 1268 C GLY A 79 15.851 5.618 6.815 1.00 0.57 C ATOM 1269 O GLY A 79 15.089 6.546 6.582 1.00 -0.57 O ATOM 0 H GLY A 79 16.257 6.000 4.201 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.320 4.450 5.745 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.991 5.824 6.601 1.00 0.36 H new ATOM 1273 N ASN A 80 15.626 4.735 7.800 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.389 4.663 8.596 1.00 0.36 C ATOM 1275 C ASN A 80 13.147 4.428 7.705 1.00 0.57 C ATOM 1276 O ASN A 80 13.276 3.836 6.637 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.306 5.882 9.555 1.00 0.06 C ATOM 1278 CG ASN A 80 13.867 5.518 10.967 1.00 0.57 C ATOM 1279 OD1 ASN A 80 14.271 4.507 11.522 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.057 6.348 11.608 1.00 -0.80 N ATOM 0 H ASN A 80 16.315 4.034 8.072 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.410 3.784 9.240 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.282 6.365 9.600 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.608 6.611 9.143 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.770 6.143 12.565 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.720 7.192 11.144 1.00 -0.80 H new ATOM 1287 N THR A 81 11.942 4.806 8.152 1.00 -0.73 N ATOM 1288 CA THR A 81 10.647 4.680 7.472 1.00 0.36 C ATOM 1289 C THR A 81 10.719 4.980 5.957 1.00 0.57 C ATOM 1290 O THR A 81 11.024 6.093 5.548 1.00 -0.57 O ATOM 1291 CB THR A 81 9.681 5.642 8.197 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.809 5.475 9.601 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.208 5.445 7.825 1.00 0.00 C ATOM 0 H THR A 81 11.840 5.241 9.069 1.00 -0.73 H new ATOM 0 HA THR A 81 10.301 3.648 7.526 1.00 0.36 H new ATOM 0 HB THR A 81 9.965 6.645 7.878 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.197 6.087 10.060 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.595 6.158 8.376 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.078 5.606 6.755 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.901 4.430 8.079 1.00 0.00 H new ATOM 1301 N LEU A 82 10.434 4.002 5.092 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.542 4.154 3.638 1.00 0.36 C ATOM 1303 C LEU A 82 9.308 4.838 3.019 1.00 0.57 C ATOM 1304 O LEU A 82 9.438 5.557 2.026 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.777 2.778 2.981 1.00 0.00 C ATOM 1306 CG LEU A 82 11.971 1.970 3.542 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.202 0.694 2.730 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.278 2.759 3.511 1.00 0.00 C ATOM 0 H LEU A 82 10.120 3.076 5.383 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.394 4.805 3.444 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.872 2.181 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.931 2.926 1.912 1.00 0.00 H new ATOM 0 HG LEU A 82 11.706 1.739 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.047 0.146 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.309 0.070 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.415 0.956 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.083 2.146 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.513 3.034 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.172 3.662 4.113 1.00 0.00 H new ATOM 1320 N ALA A 83 8.112 4.614 3.581 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.852 5.157 3.080 1.00 0.36 C ATOM 1322 C ALA A 83 5.803 5.127 4.198 1.00 0.57 C ATOM 1323 O ALA A 83 6.017 4.473 5.217 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.398 4.338 1.862 1.00 0.00 C ATOM 0 H ALA A 83 7.996 4.037 4.414 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.983 6.193 2.767 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.458 4.739 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.157 4.395 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.257 3.298 2.155 1.00 0.00 H new ATOM 1330 N HIS A 84 4.676 5.824 4.025 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.553 5.760 4.952 1.00 0.36 C ATOM 1332 C HIS A 84 2.236 5.864 4.187 1.00 0.57 C ATOM 1333 O HIS A 84 2.200 6.357 3.058 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.679 6.829 6.061 1.00 0.17 C ATOM 1335 CG HIS A 84 3.623 8.291 5.654 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.414 9.290 6.180 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.706 8.912 4.842 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.013 10.465 5.666 1.00 0.65 C ATOM 1339 NE2 HIS A 84 2.969 10.284 4.844 1.00 -0.70 N ATOM 0 H HIS A 84 4.521 6.449 3.234 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.566 4.794 5.456 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.883 6.654 6.785 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.624 6.663 6.579 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.175 9.159 6.847 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 1.915 8.422 4.294 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.467 11.420 5.884 1.00 0.65 H new ATOM 1348 N ALA A 85 1.132 5.483 4.833 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.204 5.582 4.271 1.00 0.36 C ATOM 1350 C ALA A 85 -1.219 5.767 5.386 1.00 0.57 C ATOM 1351 O ALA A 85 -0.927 5.489 6.553 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.507 4.318 3.462 1.00 0.00 C ATOM 0 H ALA A 85 1.148 5.092 5.775 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.264 6.445 3.608 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.509 4.388 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.221 4.218 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.449 3.446 4.114 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.414 6.225 5.011 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.472 6.565 5.951 1.00 0.36 C ATOM 1360 C PHE A 86 -4.653 5.612 5.751 1.00 0.57 C ATOM 1361 O PHE A 86 -4.873 5.100 4.651 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.878 8.039 5.761 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.728 8.990 5.459 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.690 9.212 6.385 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.668 9.614 4.201 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.610 10.050 6.043 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.595 10.448 3.857 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.563 10.662 4.781 1.00 -0.15 C ATOM 0 H PHE A 86 -2.673 6.370 4.035 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.121 6.450 6.976 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.602 8.099 4.948 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.384 8.380 6.664 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.722 8.740 7.356 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.462 9.448 3.488 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.184 10.222 6.754 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.564 10.922 2.887 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.270 11.299 4.521 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.426 5.377 6.817 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.617 4.533 6.759 1.00 0.36 C ATOM 1380 C ALA A 87 -7.662 5.173 5.835 1.00 0.57 C ATOM 1381 O ALA A 87 -7.684 6.396 5.729 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.191 4.373 8.171 1.00 0.00 C ATOM 0 H ALA A 87 -5.241 5.767 7.741 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.352 3.552 6.364 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.080 3.744 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.445 3.909 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.456 5.352 8.569 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.540 4.397 5.179 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.590 4.953 4.342 1.00 0.36 C ATOM 1390 C PRO A 88 -10.649 5.674 5.178 1.00 0.57 C ATOM 1391 O PRO A 88 -10.768 5.466 6.389 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.182 3.778 3.574 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.830 2.558 4.400 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.640 2.956 5.265 1.00 0.30 C ATOM 0 HA PRO A 88 -9.195 5.706 3.660 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.261 3.882 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.763 3.710 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.674 2.250 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.579 1.713 3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.786 2.637 6.297 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.725 2.481 4.911 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.436 6.508 4.500 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.476 7.313 5.108 1.00 0.36 C ATOM 1404 C GLY A 89 -13.030 8.241 4.040 1.00 0.57 C ATOM 1405 O GLY A 89 -13.648 7.765 3.091 1.00 -0.57 O ATOM 0 H GLY A 89 -11.361 6.640 3.491 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.266 6.677 5.509 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.075 7.888 5.943 1.00 0.36 H new ATOM 1409 N THR A 90 -12.735 9.538 4.168 1.00 -0.73 N ATOM 1410 CA THR A 90 -13.139 10.595 3.250 1.00 0.36 C ATOM 1411 C THR A 90 -12.075 11.697 3.353 1.00 0.57 C ATOM 1412 O THR A 90 -11.857 12.241 4.442 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.553 11.072 3.655 1.00 0.28 C ATOM 1414 OG1 THR A 90 -15.497 10.117 3.219 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.980 12.416 3.056 1.00 0.00 C ATOM 0 H THR A 90 -12.184 9.890 4.950 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.199 10.269 2.212 1.00 0.36 H new ATOM 0 HB THR A 90 -14.516 11.193 4.738 1.00 0.28 H new ATOM 0 HG1 THR A 90 -16.398 10.408 3.472 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.985 12.664 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 90 -14.286 13.193 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.974 12.348 1.968 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.382 12.001 2.247 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.357 13.044 2.186 1.00 0.36 C ATOM 1425 C GLY A 91 -8.964 12.421 2.178 1.00 0.57 C ATOM 1426 O GLY A 91 -8.741 11.485 1.414 1.00 -0.57 O ATOM 0 H GLY A 91 -11.522 11.520 1.358 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.497 13.648 1.290 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.458 13.713 3.041 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.049 12.921 3.029 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.681 12.401 3.205 1.00 0.36 C ATOM 1432 C LEU A 92 -6.650 10.884 3.454 1.00 0.57 C ATOM 1433 O LEU A 92 -5.674 10.218 3.117 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.988 13.130 4.375 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.474 12.810 4.494 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.625 13.927 3.887 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.070 12.550 5.950 1.00 0.00 C ATOM 0 H LEU A 92 -8.247 13.721 3.630 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.147 12.589 2.273 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.115 14.205 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.483 12.857 5.307 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.288 11.897 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.569 13.675 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.875 14.041 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.825 14.862 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.004 12.329 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.285 13.434 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.634 11.702 6.338 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.708 10.312 4.042 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.787 8.876 4.228 1.00 0.36 C ATOM 1451 C GLY A 93 -7.481 8.121 2.930 1.00 0.57 C ATOM 1452 O GLY A 93 -7.790 8.598 1.833 1.00 -0.57 O ATOM 0 H GLY A 93 -8.514 10.829 4.393 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.084 8.570 5.002 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.784 8.608 4.579 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.836 6.962 3.061 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.428 6.104 1.959 1.00 0.36 C ATOM 1458 C GLY A 94 -5.152 6.563 1.265 1.00 0.57 C ATOM 1459 O GLY A 94 -4.476 5.749 0.640 1.00 -0.57 O ATOM 0 H GLY A 94 -6.576 6.585 3.972 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.283 5.091 2.334 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.234 6.061 1.226 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.815 7.851 1.341 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.703 8.385 0.567 1.00 0.36 C ATOM 1465 C ASP A 95 -2.399 7.826 1.143 1.00 0.57 C ATOM 1466 O ASP A 95 -2.335 7.392 2.301 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.796 9.926 0.525 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.143 10.343 -0.084 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.588 9.699 -1.020 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.864 11.344 0.413 1.00 -0.65 O ATOM 0 H ASP A 95 -5.294 8.536 1.926 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.736 8.070 -0.476 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.698 10.334 1.531 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.976 10.334 -0.066 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.362 7.788 0.309 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.101 7.162 0.657 1.00 0.36 C ATOM 1478 C ALA A 96 1.033 8.002 0.107 1.00 0.57 C ATOM 1479 O ALA A 96 0.965 8.509 -1.018 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.054 5.721 0.134 1.00 0.00 C ATOM 0 H ALA A 96 -1.379 8.193 -0.627 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.003 7.108 1.741 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.899 5.267 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.868 5.147 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.160 5.724 -0.951 1.00 0.00 H new ATOM 1486 N HIS A 97 2.099 8.118 0.897 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.269 8.877 0.517 1.00 0.36 C ATOM 1488 C HIS A 97 4.507 8.021 0.689 1.00 0.57 C ATOM 1489 O HIS A 97 4.528 7.096 1.498 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.359 10.220 1.257 1.00 0.17 C ATOM 1491 CG HIS A 97 2.198 11.154 1.027 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.613 11.959 1.989 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.555 11.372 -0.162 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.595 12.612 1.391 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.546 12.276 0.083 1.00 -0.70 N ATOM 0 H HIS A 97 2.167 7.685 1.818 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.187 9.142 -0.537 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.442 10.024 2.326 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.277 10.724 0.954 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.794 10.920 -1.113 1.00 0.20 H new ATOM 0 HE1 HIS A 97 -0.078 13.299 1.883 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.121 12.630 -0.602 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.540 8.325 -0.095 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.756 7.535 -0.165 1.00 0.36 C ATOM 1506 C PHE A 98 7.924 8.498 -0.302 1.00 0.57 C ATOM 1507 O PHE A 98 7.771 9.615 -0.809 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.742 6.538 -1.345 1.00 0.14 C ATOM 1509 CG PHE A 98 5.508 5.648 -1.504 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.227 6.195 -1.739 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.642 4.249 -1.420 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.093 5.373 -1.785 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.508 3.420 -1.510 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.232 3.983 -1.676 1.00 -0.15 C ATOM 0 H PHE A 98 5.550 9.141 -0.707 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.844 6.936 0.741 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.868 7.106 -2.267 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.613 5.890 -1.248 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.120 7.260 -1.885 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.620 3.810 -1.286 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.113 5.810 -1.904 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.619 2.347 -1.451 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.361 3.346 -1.719 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.091 8.053 0.150 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.279 8.879 0.155 1.00 0.36 C ATOM 1526 C ASP A 99 11.059 8.652 -1.143 1.00 0.57 C ATOM 1527 O ASP A 99 11.723 7.631 -1.296 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.087 8.550 1.409 1.00 0.06 C ATOM 1529 CG ASP A 99 12.098 9.656 1.675 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.119 10.115 2.805 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.843 10.074 0.656 1.00 -0.65 O ATOM 0 H ASP A 99 9.234 7.113 0.520 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.032 9.940 0.189 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.420 8.441 2.264 1.00 0.06 H new ATOM 0 HB3 ASP A 99 11.601 7.597 1.282 1.00 0.06 H new ATOM 1537 N GLU A 100 10.941 9.555 -2.122 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.653 9.478 -3.405 1.00 0.36 C ATOM 1539 C GLU A 100 13.176 9.563 -3.228 1.00 0.57 C ATOM 1540 O GLU A 100 13.898 9.086 -4.104 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.144 10.577 -4.364 1.00 0.00 C ATOM 1542 CG GLU A 100 11.651 10.447 -5.821 1.00 0.06 C ATOM 1543 CD GLU A 100 12.631 11.537 -6.313 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.464 12.011 -5.558 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.528 11.896 -7.589 1.00 -0.65 O ATOM 0 H GLU A 100 10.338 10.374 -2.045 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.441 8.503 -3.843 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.054 10.560 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.445 11.549 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.138 9.478 -5.927 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.786 10.443 -6.484 1.00 0.06 H new ATOM 1553 N ASP A 101 13.681 10.121 -2.112 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.129 10.176 -1.867 1.00 0.36 C ATOM 1555 C ASP A 101 15.674 8.767 -1.602 1.00 0.57 C ATOM 1556 O ASP A 101 16.856 8.494 -1.820 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.471 11.120 -0.688 1.00 0.06 C ATOM 1558 CG ASP A 101 16.884 11.743 -0.748 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.556 11.638 -1.761 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.327 12.493 0.257 1.00 -0.65 O ATOM 0 H ASP A 101 13.112 10.536 -1.374 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.605 10.579 -2.761 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.735 11.924 -0.659 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.373 10.564 0.245 1.00 0.06 H new ATOM 1566 N GLU A 102 14.811 7.844 -1.156 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.164 6.438 -1.052 1.00 0.36 C ATOM 1568 C GLU A 102 15.023 5.821 -2.442 1.00 0.57 C ATOM 1569 O GLU A 102 14.012 5.998 -3.111 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.297 5.731 0.003 1.00 0.00 C ATOM 1571 CG GLU A 102 14.494 6.389 1.384 1.00 0.06 C ATOM 1572 CD GLU A 102 15.023 5.463 2.478 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.551 5.616 3.593 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 16.053 4.667 2.205 1.00 -0.65 O ATOM 0 H GLU A 102 13.858 8.057 -0.861 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.193 6.319 -0.714 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.247 5.782 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.563 4.675 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.183 7.226 1.274 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.540 6.803 1.711 1.00 0.06 H new ATOM 1582 N ARG A 103 16.059 5.101 -2.887 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.065 4.353 -4.146 1.00 0.36 C ATOM 1584 C ARG A 103 14.823 3.460 -4.261 1.00 0.57 C ATOM 1585 O ARG A 103 14.381 2.904 -3.255 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.370 3.540 -4.218 1.00 0.00 C ATOM 1587 CG ARG A 103 17.418 2.381 -3.198 1.00 0.00 C ATOM 1588 CD ARG A 103 18.808 2.139 -2.593 1.00 0.33 C ATOM 1589 NE ARG A 103 18.974 2.865 -1.312 1.00 -0.84 N ATOM 1590 CZ ARG A 103 18.482 2.481 -0.116 1.00 1.20 C ATOM 1591 NH1 ARG A 103 17.887 1.302 0.026 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 18.556 3.289 0.940 1.00 -0.97 N ATOM 0 H ARG A 103 16.934 5.021 -2.370 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.026 5.040 -4.991 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.484 3.136 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 103 18.216 4.205 -4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 103 16.714 2.590 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.081 1.467 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 103 18.954 1.071 -2.429 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.574 2.462 -3.298 1.00 0.33 H new ATOM 0 HE ARG A 103 19.508 3.733 -1.337 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 17.798 0.676 -0.774 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 17.519 1.023 0.935 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 18.988 4.209 0.849 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 18.181 2.988 1.840 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.314 3.242 -5.475 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.102 2.461 -5.706 1.00 0.36 C ATOM 1608 C TRP A 104 13.306 1.620 -6.965 1.00 0.57 C ATOM 1609 O TRP A 104 13.983 2.065 -7.885 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.910 3.421 -5.860 1.00 0.18 C ATOM 1611 CG TRP A 104 11.450 4.115 -4.602 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.475 5.451 -4.396 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.921 3.549 -3.352 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.038 5.738 -3.122 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.637 4.614 -2.449 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.623 2.247 -2.888 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.103 4.413 -1.169 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 10.002 2.043 -1.643 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.754 3.116 -0.773 1.00 -0.15 C ATOM 0 H TRP A 104 14.736 3.606 -6.330 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.896 1.795 -4.868 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.175 4.182 -6.594 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.069 2.861 -6.270 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.791 6.185 -5.123 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.015 6.678 -2.726 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.877 1.394 -3.500 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.963 5.247 -0.497 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.711 1.045 -1.352 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.299 2.943 0.191 1.00 -0.15 H new ATOM 1630 N THR A 105 12.724 0.418 -7.039 1.00 -0.73 N ATOM 1631 CA THR A 105 12.832 -0.445 -8.218 1.00 0.36 C ATOM 1632 C THR A 105 11.551 -1.274 -8.341 1.00 0.57 C ATOM 1633 O THR A 105 11.056 -1.768 -7.333 1.00 -0.57 O ATOM 1634 CB THR A 105 14.105 -1.307 -8.101 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.340 -2.004 -9.298 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.063 -2.345 -6.979 1.00 0.00 C ATOM 0 H THR A 105 12.166 0.018 -6.285 1.00 -0.73 H new ATOM 0 HA THR A 105 12.929 0.140 -9.133 1.00 0.36 H new ATOM 0 HB THR A 105 14.899 -0.594 -7.876 1.00 0.28 H new ATOM 0 HG1 THR A 105 14.448 -2.959 -9.105 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.997 -2.907 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.931 -1.841 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.231 -3.028 -7.147 1.00 0.00 H new ATOM 1644 N ASP A 106 11.005 -1.480 -9.544 1.00 -0.73 N ATOM 1645 CA ASP A 106 9.861 -2.377 -9.765 1.00 0.36 C ATOM 1646 C ASP A 106 10.308 -3.847 -9.878 1.00 0.57 C ATOM 1647 O ASP A 106 9.525 -4.708 -10.281 1.00 -0.57 O ATOM 1648 CB ASP A 106 8.997 -1.896 -10.950 1.00 0.06 C ATOM 1649 CG ASP A 106 9.745 -1.768 -12.281 1.00 0.66 C ATOM 1650 OD1 ASP A 106 10.668 -0.970 -12.300 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 9.310 -2.475 -13.320 1.00 -0.65 O ATOM 0 H ASP A 106 11.343 -1.030 -10.395 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.215 -2.336 -8.888 1.00 0.36 H new ATOM 0 HB2 ASP A 106 8.167 -2.590 -11.081 1.00 0.06 H new ATOM 0 HB3 ASP A 106 8.566 -0.927 -10.697 1.00 0.06 H new ATOM 1657 N GLY A 107 11.557 -4.140 -9.491 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.135 -5.468 -9.394 1.00 0.36 C ATOM 1659 C GLY A 107 13.591 -5.383 -9.831 1.00 0.57 C ATOM 1660 O GLY A 107 14.476 -5.137 -9.009 1.00 -0.57 O ATOM 0 H GLY A 107 12.219 -3.411 -9.225 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.065 -5.840 -8.372 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.588 -6.168 -10.026 1.00 0.36 H new ATOM 1664 N SER A 108 13.807 -5.525 -11.144 1.00 -0.73 N ATOM 1665 CA SER A 108 15.098 -5.556 -11.832 1.00 0.36 C ATOM 1666 C SER A 108 16.025 -6.684 -11.351 1.00 0.57 C ATOM 1667 O SER A 108 16.269 -7.622 -12.113 1.00 -0.57 O ATOM 1668 CB SER A 108 15.759 -4.167 -11.774 1.00 0.28 C ATOM 1669 OG SER A 108 16.003 -3.696 -13.079 1.00 -0.68 O ATOM 0 H SER A 108 13.030 -5.628 -11.796 1.00 -0.73 H new ATOM 0 HA SER A 108 14.907 -5.798 -12.878 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.113 -3.469 -11.241 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.695 -4.223 -11.218 1.00 0.28 H new ATOM 0 HG SER A 108 16.422 -2.811 -13.034 1.00 -0.68 H new ATOM 1675 N SER A 109 16.496 -6.610 -10.102 1.00 -0.73 N ATOM 1676 CA SER A 109 17.362 -7.593 -9.454 1.00 0.36 C ATOM 1677 C SER A 109 17.602 -7.222 -7.983 1.00 0.57 C ATOM 1678 O SER A 109 17.438 -8.075 -7.109 1.00 -0.57 O ATOM 1679 CB SER A 109 18.700 -7.723 -10.208 1.00 0.28 C ATOM 1680 OG SER A 109 19.311 -6.470 -10.485 1.00 -0.68 O ATOM 0 H SER A 109 16.272 -5.826 -9.489 1.00 -0.73 H new ATOM 0 HA SER A 109 16.859 -8.560 -9.483 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.385 -8.331 -9.617 1.00 0.28 H new ATOM 0 HB3 SER A 109 18.531 -8.253 -11.146 1.00 0.28 H new ATOM 0 HG SER A 109 20.155 -6.616 -10.962 1.00 -0.68 H new ATOM 1686 N LEU A 110 17.958 -5.957 -7.710 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.225 -5.417 -6.376 1.00 0.36 C ATOM 1688 C LEU A 110 17.684 -3.986 -6.300 1.00 0.57 C ATOM 1689 O LEU A 110 17.541 -3.313 -7.323 1.00 -0.57 O ATOM 1690 CB LEU A 110 19.737 -5.382 -6.047 1.00 0.00 C ATOM 1691 CG LEU A 110 20.480 -6.736 -6.081 1.00 0.00 C ATOM 1692 CD1 LEU A 110 21.188 -6.943 -7.428 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.546 -6.809 -4.983 1.00 0.00 C ATOM 0 H LEU A 110 18.071 -5.258 -8.444 1.00 -0.73 H new ATOM 0 HA LEU A 110 17.735 -6.070 -5.654 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.224 -4.707 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.860 -4.950 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 110 19.727 -7.509 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.703 -7.904 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.452 -6.929 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.912 -6.144 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.053 -7.773 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.273 -6.010 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.072 -6.696 -4.008 1.00 0.00 H new ATOM 1705 N GLY A 111 17.435 -3.519 -5.073 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.865 -2.214 -4.769 1.00 0.36 C ATOM 1707 C GLY A 111 15.572 -2.387 -3.971 1.00 0.57 C ATOM 1708 O GLY A 111 15.141 -3.509 -3.687 1.00 -0.57 O ATOM 0 H GLY A 111 17.635 -4.065 -4.235 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.578 -1.619 -4.199 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.663 -1.671 -5.692 1.00 0.36 H new ATOM 1712 N ILE A 112 14.939 -1.277 -3.589 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.721 -1.325 -2.793 1.00 0.36 C ATOM 1714 C ILE A 112 12.548 -1.615 -3.730 1.00 0.57 C ATOM 1715 O ILE A 112 12.101 -0.728 -4.459 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.535 -0.033 -1.980 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.774 0.332 -1.128 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.304 -0.172 -1.079 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.135 -0.707 -0.051 1.00 0.00 C ATOM 0 H ILE A 112 15.253 -0.335 -3.820 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.781 -2.125 -2.055 1.00 0.36 H new ATOM 0 HB ILE A 112 13.397 0.780 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.630 0.462 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.597 1.292 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.170 0.743 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.421 -0.345 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.444 -1.013 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.015 -0.371 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.299 -0.822 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.348 -1.665 -0.526 1.00 0.00 H new ATOM 1731 N ASN A 113 12.090 -2.874 -3.708 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.939 -3.376 -4.441 1.00 0.36 C ATOM 1733 C ASN A 113 9.711 -2.483 -4.200 1.00 0.57 C ATOM 1734 O ASN A 113 9.021 -2.593 -3.183 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.700 -4.854 -4.081 1.00 0.06 C ATOM 1736 CG ASN A 113 9.600 -5.496 -4.922 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.730 -4.825 -5.462 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.599 -6.812 -5.053 1.00 -0.80 N ATOM 0 H ASN A 113 12.540 -3.599 -3.149 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.133 -3.336 -5.513 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.627 -5.411 -4.217 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.435 -4.928 -3.026 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.873 -7.269 -5.604 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.324 -7.370 -4.603 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.451 -1.593 -5.157 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.352 -0.647 -5.165 1.00 0.36 C ATOM 1747 C PHE A 114 7.019 -1.382 -5.256 1.00 0.57 C ATOM 1748 O PHE A 114 6.012 -0.875 -4.775 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.517 0.322 -6.354 1.00 0.14 C ATOM 1750 CG PHE A 114 7.804 1.648 -6.152 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 8.425 2.617 -5.366 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 6.536 1.925 -6.684 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 7.802 3.839 -5.073 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 5.880 3.129 -6.375 1.00 -0.15 C ATOM 1755 CZ PHE A 114 6.515 4.084 -5.567 1.00 -0.15 C ATOM 0 H PHE A 114 10.036 -1.514 -5.989 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.362 -0.077 -4.236 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.578 0.509 -6.517 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.135 -0.154 -7.257 1.00 0.14 H new ATOM 0 HD1 PHE A 114 9.412 2.422 -4.972 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 6.060 1.208 -7.336 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 8.308 4.581 -4.474 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 4.889 3.319 -6.759 1.00 -0.15 H new ATOM 0 HZ PHE A 114 6.011 5.008 -5.326 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.001 -2.563 -5.887 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.803 -3.377 -6.078 1.00 0.36 C ATOM 1767 C LEU A 115 5.374 -3.856 -4.695 1.00 0.57 C ATOM 1768 O LEU A 115 4.212 -3.697 -4.313 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.134 -4.517 -7.077 1.00 0.00 C ATOM 1770 CG LEU A 115 5.201 -4.661 -8.302 1.00 0.00 C ATOM 1771 CD1 LEU A 115 6.006 -5.098 -9.532 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.035 -5.629 -8.100 1.00 0.00 C ATOM 0 H LEU A 115 7.840 -2.985 -6.286 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.967 -2.831 -6.515 1.00 0.36 H new ATOM 0 HB2 LEU A 115 7.151 -4.367 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.127 -5.460 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 115 4.763 -3.673 -8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.338 -5.196 -10.388 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.770 -4.352 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.483 -6.057 -9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.433 -5.668 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.422 -6.623 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.417 -5.286 -7.270 1.00 0.00 H new ATOM 1784 N TYR A 116 6.324 -4.382 -3.921 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.104 -4.781 -2.539 1.00 0.36 C ATOM 1786 C TYR A 116 5.712 -3.576 -1.684 1.00 0.57 C ATOM 1787 O TYR A 116 4.724 -3.649 -0.953 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.376 -5.442 -2.013 1.00 0.14 C ATOM 1789 CG TYR A 116 7.312 -5.915 -0.577 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.703 -5.061 0.476 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 6.926 -7.239 -0.303 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.714 -5.529 1.803 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 6.985 -7.728 1.012 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.364 -6.875 2.073 1.00 0.08 C ATOM 1795 OH TYR A 116 7.413 -7.368 3.340 1.00 -0.53 O ATOM 0 H TYR A 116 7.278 -4.543 -4.244 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.281 -5.493 -2.487 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.612 -6.295 -2.649 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.200 -4.735 -2.109 1.00 0.14 H new ATOM 0 HD1 TYR A 116 7.995 -4.043 0.262 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 6.585 -7.879 -1.103 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 7.988 -4.866 2.611 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 6.740 -8.760 1.213 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.535 -7.269 3.764 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.449 -2.460 -1.803 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.170 -1.246 -1.045 1.00 0.36 C ATOM 1807 C ALA A 117 4.748 -0.757 -1.303 1.00 0.57 C ATOM 1808 O ALA A 117 3.998 -0.513 -0.361 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.170 -0.150 -1.425 1.00 0.00 C ATOM 0 H ALA A 117 7.251 -2.381 -2.428 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.269 -1.476 0.016 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.954 0.753 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.182 -0.487 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.086 0.065 -2.490 1.00 0.00 H new ATOM 1815 N ALA A 118 4.363 -0.657 -2.577 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.030 -0.251 -2.969 1.00 0.36 C ATOM 1817 C ALA A 118 2.020 -1.223 -2.378 1.00 0.57 C ATOM 1818 O ALA A 118 1.133 -0.787 -1.668 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.930 -0.179 -4.494 1.00 0.00 C ATOM 0 H ALA A 118 4.979 -0.859 -3.364 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.811 0.745 -2.584 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.923 0.127 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.650 0.546 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.145 -1.159 -4.919 1.00 0.00 H new ATOM 1825 N THR A 119 2.176 -2.527 -2.594 1.00 -0.73 N ATOM 1826 CA THR A 119 1.240 -3.539 -2.092 1.00 0.36 C ATOM 1827 C THR A 119 1.067 -3.434 -0.575 1.00 0.57 C ATOM 1828 O THR A 119 -0.053 -3.543 -0.079 1.00 -0.57 O ATOM 1829 CB THR A 119 1.736 -4.929 -2.503 1.00 0.28 C ATOM 1830 OG1 THR A 119 2.035 -4.877 -3.874 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.688 -6.024 -2.299 1.00 0.00 C ATOM 0 H THR A 119 2.956 -2.916 -3.123 1.00 -0.73 H new ATOM 0 HA THR A 119 0.258 -3.367 -2.533 1.00 0.36 H new ATOM 0 HB THR A 119 2.597 -5.176 -1.882 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.694 -5.569 -4.091 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.100 -6.984 -2.609 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.411 -6.071 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.195 -5.799 -2.897 1.00 0.00 H new ATOM 1839 N HIS A 120 2.159 -3.166 0.145 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.126 -2.882 1.567 1.00 0.36 C ATOM 1841 C HIS A 120 1.276 -1.630 1.839 1.00 0.57 C ATOM 1842 O HIS A 120 0.287 -1.716 2.563 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.577 -2.806 2.081 1.00 0.17 C ATOM 1844 CG HIS A 120 3.699 -2.670 3.572 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.465 -3.448 4.422 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 3.061 -1.741 4.336 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.255 -2.994 5.679 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.395 -1.963 5.643 1.00 -0.70 N ATOM 0 H HIS A 120 3.097 -3.142 -0.255 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.636 -3.678 2.127 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.109 -3.703 1.765 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.073 -1.958 1.609 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.074 -4.220 4.151 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.405 -0.964 3.973 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.708 -3.398 6.572 1.00 0.65 H new ATOM 1857 N GLU A 121 1.633 -0.465 1.283 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.946 0.790 1.603 1.00 0.36 C ATOM 1859 C GLU A 121 -0.521 0.767 1.146 1.00 0.57 C ATOM 1860 O GLU A 121 -1.417 1.187 1.878 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.672 1.981 0.957 1.00 0.00 C ATOM 1862 CG GLU A 121 3.116 2.239 1.424 1.00 0.06 C ATOM 1863 CD GLU A 121 3.306 2.088 2.930 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.050 3.042 3.646 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.711 0.908 3.392 1.00 -0.65 O ATOM 0 H GLU A 121 2.393 -0.367 0.610 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.962 0.901 2.687 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.684 1.829 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.086 2.881 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.784 1.548 0.911 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.410 3.246 1.128 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.774 0.243 -0.056 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.095 0.110 -0.650 1.00 0.36 C ATOM 1875 C LEU A 122 -2.952 -0.895 0.121 1.00 0.57 C ATOM 1876 O LEU A 122 -4.176 -0.770 0.147 1.00 -0.57 O ATOM 1877 CB LEU A 122 -1.999 -0.321 -2.126 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.750 0.782 -3.184 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -2.871 1.820 -3.204 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.440 1.567 -3.051 1.00 0.00 C ATOM 0 H LEU A 122 -0.033 -0.112 -0.660 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.570 1.090 -0.597 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.196 -1.053 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.925 -0.833 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.701 0.200 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.655 2.574 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.816 1.330 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.943 2.297 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.379 2.310 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.413 2.068 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.404 0.882 -3.128 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.334 -1.869 0.793 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.056 -2.709 1.727 1.00 0.36 C ATOM 1894 C GLY A 123 -3.727 -1.879 2.812 1.00 0.57 C ATOM 1895 O GLY A 123 -4.901 -2.078 3.131 1.00 -0.57 O ATOM 0 H GLY A 123 -1.342 -2.088 0.703 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.808 -3.288 1.192 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.370 -3.422 2.184 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.012 -0.872 3.320 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.581 0.037 4.294 1.00 0.36 C ATOM 1901 C HIS A 124 -4.585 0.994 3.671 1.00 0.57 C ATOM 1902 O HIS A 124 -5.608 1.242 4.313 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.490 0.806 5.032 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.511 -0.109 5.709 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.812 -1.130 6.578 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.164 -0.148 5.492 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.666 -1.754 6.888 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.372 -1.186 6.262 1.00 -0.70 N ATOM 0 H HIS A 124 -2.044 -0.674 3.069 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.122 -0.574 5.016 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.959 1.446 4.328 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.947 1.460 5.775 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.741 -1.370 6.925 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.392 0.509 4.839 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.591 -2.601 7.554 1.00 0.65 H new ATOM 1917 N SER A 125 -4.331 1.476 2.445 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.257 2.367 1.749 1.00 0.36 C ATOM 1919 C SER A 125 -6.630 1.721 1.553 1.00 0.57 C ATOM 1920 O SER A 125 -7.650 2.410 1.546 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.694 2.830 0.401 1.00 0.28 C ATOM 1922 OG SER A 125 -4.831 1.880 -0.631 1.00 -0.68 O ATOM 0 H SER A 125 -3.486 1.259 1.917 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.381 3.242 2.387 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.198 3.750 0.104 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.638 3.070 0.523 1.00 0.28 H new ATOM 0 HG SER A 125 -4.697 0.980 -0.267 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.649 0.392 1.397 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.870 -0.378 1.279 1.00 0.36 C ATOM 1930 C LEU A 126 -8.664 -0.389 2.591 1.00 0.57 C ATOM 1931 O LEU A 126 -9.897 -0.306 2.557 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.522 -1.815 0.823 1.00 0.00 C ATOM 1933 CG LEU A 126 -7.946 -2.199 -0.604 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.342 -1.700 -0.997 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -6.941 -1.730 -1.655 1.00 0.00 C ATOM 0 H LEU A 126 -5.802 -0.175 1.350 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.510 0.092 0.532 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.443 -1.949 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.985 -2.516 1.518 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.975 -3.288 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.566 -2.012 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.083 -2.121 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.370 -0.612 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.286 -2.026 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.849 -0.645 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.970 -2.185 -1.458 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.986 -0.500 3.741 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.653 -0.664 5.031 1.00 0.36 C ATOM 1949 C GLY A 127 -7.767 -1.229 6.132 1.00 0.57 C ATOM 1950 O GLY A 127 -8.228 -2.079 6.893 1.00 -0.57 O ATOM 0 H GLY A 127 -6.968 -0.478 3.799 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.038 0.304 5.352 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.513 -1.321 4.900 1.00 0.36 H new ATOM 1954 N MET A 128 -6.520 -0.751 6.240 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.515 -1.315 7.150 1.00 0.36 C ATOM 1956 C MET A 128 -5.208 -2.800 6.825 1.00 0.57 C ATOM 1957 O MET A 128 -5.791 -3.388 5.920 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.930 -1.079 8.621 1.00 0.00 C ATOM 1959 CG MET A 128 -4.870 -0.327 9.438 1.00 0.23 C ATOM 1960 SD MET A 128 -5.075 1.467 9.573 1.00 -0.46 S ATOM 1961 CE MET A 128 -4.367 2.019 8.007 1.00 0.23 C ATOM 0 H MET A 128 -6.179 0.041 5.696 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.572 -0.789 6.998 1.00 0.36 H new ATOM 0 HB2 MET A 128 -6.862 -0.515 8.642 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.128 -2.041 9.094 1.00 0.00 H new ATOM 0 HG2 MET A 128 -4.855 -0.745 10.444 1.00 0.23 H new ATOM 0 HG3 MET A 128 -3.894 -0.526 8.996 1.00 0.23 H new ATOM 0 HE1 MET A 128 -4.455 3.103 7.930 1.00 0.23 H new ATOM 0 HE2 MET A 128 -3.315 1.736 7.963 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.903 1.552 7.181 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.253 -3.412 7.543 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.894 -4.818 7.332 1.00 0.36 C ATOM 1973 C GLY A 129 -2.492 -5.156 7.837 1.00 0.57 C ATOM 1974 O GLY A 129 -1.717 -5.756 7.103 1.00 -0.57 O ATOM 0 H GLY A 129 -3.715 -2.951 8.277 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.620 -5.453 7.839 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -3.957 -5.048 6.268 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.131 -4.720 9.048 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.791 -4.933 9.603 1.00 0.36 C ATOM 1980 C HIS A 130 -0.702 -6.311 10.272 1.00 0.57 C ATOM 1981 O HIS A 130 -1.719 -6.974 10.489 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.431 -3.813 10.606 1.00 0.17 C ATOM 1983 CG HIS A 130 0.521 -2.747 10.108 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.643 -1.469 10.612 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.502 -2.891 9.161 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.671 -0.872 9.985 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.225 -1.701 9.092 1.00 -0.70 N ATOM 0 H HIS A 130 -2.758 -4.210 9.670 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.070 -4.900 8.786 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.354 -3.327 10.922 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.005 -4.274 11.492 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.684 -3.776 8.569 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.004 0.138 10.175 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.018 -1.502 8.482 1.00 -0.70 H new ATOM 1996 N SER A 131 0.521 -6.725 10.633 1.00 -0.73 N ATOM 1997 CA SER A 131 0.792 -8.006 11.279 1.00 0.36 C ATOM 1998 C SER A 131 2.169 -7.978 11.956 1.00 0.57 C ATOM 1999 O SER A 131 2.719 -6.897 12.182 1.00 -0.57 O ATOM 2000 CB SER A 131 0.691 -9.114 10.228 1.00 0.28 C ATOM 2001 OG SER A 131 0.331 -10.338 10.836 1.00 -0.68 O ATOM 0 H SER A 131 1.360 -6.166 10.479 1.00 -0.73 H new ATOM 0 HA SER A 131 0.058 -8.201 12.061 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.049 -8.843 9.475 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.645 -9.223 9.713 1.00 0.28 H new ATOM 0 HG SER A 131 0.573 -11.081 10.244 1.00 -0.68 H new ATOM 2007 N SER A 132 2.701 -9.158 12.306 1.00 -0.73 N ATOM 2008 CA SER A 132 3.981 -9.328 12.993 1.00 0.36 C ATOM 2009 C SER A 132 4.561 -10.732 12.717 1.00 0.57 C ATOM 2010 O SER A 132 4.804 -11.519 13.636 1.00 -0.57 O ATOM 2011 CB SER A 132 3.809 -8.998 14.492 1.00 0.28 C ATOM 2012 OG SER A 132 4.648 -7.916 14.845 1.00 -0.68 O ATOM 0 H SER A 132 2.235 -10.044 12.111 1.00 -0.73 H new ATOM 0 HA SER A 132 4.720 -8.627 12.604 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.769 -8.747 14.701 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.054 -9.872 15.096 1.00 0.28 H new ATOM 0 HG SER A 132 4.533 -7.710 15.796 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.753 -11.057 11.429 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.179 -12.379 10.955 1.00 0.36 C ATOM 2020 C ASP A 133 6.500 -12.244 10.179 1.00 0.57 C ATOM 2021 O ASP A 133 6.671 -11.242 9.480 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.086 -12.973 10.043 1.00 0.06 C ATOM 2023 CG ASP A 133 3.920 -14.486 10.183 1.00 0.66 C ATOM 2024 OD1 ASP A 133 4.023 -14.980 11.294 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.705 -15.170 9.063 1.00 -0.65 O ATOM 0 H ASP A 133 4.612 -10.389 10.671 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.333 -13.043 11.805 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.135 -12.490 10.269 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.324 -12.738 9.006 1.00 0.06 H new ATOM 2031 N PRO A 134 7.422 -13.231 10.221 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.764 -13.088 9.655 1.00 0.36 C ATOM 2033 C PRO A 134 8.758 -12.917 8.127 1.00 0.57 C ATOM 2034 O PRO A 134 9.699 -12.349 7.576 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.544 -14.336 10.092 1.00 0.00 C ATOM 2036 CG PRO A 134 8.480 -15.372 10.458 1.00 0.00 C ATOM 2037 CD PRO A 134 7.206 -14.575 10.734 1.00 0.30 C ATOM 0 HA PRO A 134 9.235 -12.176 10.023 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.186 -14.699 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.189 -14.118 10.943 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.329 -16.083 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.779 -15.948 11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.348 -15.040 10.248 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.992 -14.550 11.802 1.00 0.30 H new ATOM 2045 N ASN A 135 7.673 -13.352 7.474 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.440 -13.280 6.033 1.00 0.36 C ATOM 2047 C ASN A 135 6.104 -12.557 5.760 1.00 0.57 C ATOM 2048 O ASN A 135 5.440 -12.838 4.761 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.469 -14.700 5.416 1.00 0.06 C ATOM 2050 CG ASN A 135 8.864 -15.289 5.199 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.852 -14.888 5.802 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.985 -16.259 4.302 1.00 -0.80 N ATOM 0 H ASN A 135 6.894 -13.787 7.968 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.235 -12.705 5.558 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.906 -15.372 6.064 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.951 -14.673 4.457 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.900 -16.670 4.115 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.163 -16.594 3.799 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.664 -11.661 6.656 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.489 -10.834 6.395 1.00 0.36 C ATOM 2061 C ALA A 136 4.822 -9.835 5.282 1.00 0.57 C ATOM 2062 O ALA A 136 5.760 -9.050 5.406 1.00 -0.57 O ATOM 2063 CB ALA A 136 4.026 -10.131 7.682 1.00 0.00 C ATOM 0 H ALA A 136 6.105 -11.495 7.561 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.660 -11.458 6.062 1.00 0.36 H new ATOM 0 HB1 ALA A 136 3.150 -9.520 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.772 -10.878 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.828 -9.496 8.058 1.00 0.00 H new ATOM 2069 N VAL A 137 4.032 -9.821 4.207 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.140 -8.822 3.142 1.00 0.36 C ATOM 2071 C VAL A 137 3.814 -7.410 3.689 1.00 0.57 C ATOM 2072 O VAL A 137 4.303 -6.394 3.186 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.272 -9.301 1.958 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.776 -9.125 2.196 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.623 -8.668 0.605 1.00 0.00 C ATOM 0 H VAL A 137 3.294 -10.507 4.050 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.158 -8.725 2.765 1.00 0.36 H new ATOM 0 HB VAL A 137 3.513 -10.363 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.225 -9.481 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.477 -9.698 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.555 -8.070 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.961 -9.065 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.501 -7.587 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.657 -8.902 0.351 1.00 0.00 H new ATOM 2085 N MET A 138 3.066 -7.350 4.798 1.00 -0.73 N ATOM 2086 CA MET A 138 2.754 -6.152 5.555 1.00 0.36 C ATOM 2087 C MET A 138 3.625 -6.019 6.824 1.00 0.57 C ATOM 2088 O MET A 138 3.255 -5.276 7.730 1.00 -0.57 O ATOM 2089 CB MET A 138 1.239 -6.074 5.852 1.00 0.00 C ATOM 2090 CG MET A 138 0.666 -4.703 5.438 1.00 0.23 C ATOM 2091 SD MET A 138 -0.514 -4.677 4.058 1.00 -0.46 S ATOM 2092 CE MET A 138 0.248 -5.837 2.891 1.00 0.23 C ATOM 0 H MET A 138 2.645 -8.185 5.205 1.00 -0.73 H new ATOM 0 HA MET A 138 3.006 -5.289 4.939 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.718 -6.867 5.316 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.064 -6.240 6.915 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.177 -4.265 6.308 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.501 -4.052 5.180 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.052 -5.581 1.875 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.333 -5.777 2.975 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.078 -6.851 3.121 1.00 0.23 H new ATOM 2102 N TYR A 139 4.773 -6.708 6.930 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.647 -6.591 8.107 1.00 0.36 C ATOM 2104 C TYR A 139 6.163 -5.148 8.280 1.00 0.57 C ATOM 2105 O TYR A 139 6.521 -4.526 7.275 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.845 -7.554 7.995 1.00 0.14 C ATOM 2107 CG TYR A 139 7.563 -7.842 9.302 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.845 -8.387 10.383 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.944 -7.606 9.438 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.484 -8.648 11.607 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.599 -7.884 10.655 1.00 -0.15 C ATOM 2112 CZ TYR A 139 8.864 -8.399 11.753 1.00 0.08 C ATOM 2113 OH TYR A 139 9.451 -8.672 12.955 1.00 -0.53 O ATOM 0 H TYR A 139 5.116 -7.350 6.216 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.052 -6.857 8.981 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.495 -8.497 7.575 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.562 -7.137 7.288 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.794 -8.607 10.271 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.505 -7.209 8.605 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 6.917 -9.040 12.438 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.660 -7.705 10.751 1.00 -0.15 H new ATOM 0 HH TYR A 139 10.405 -8.453 12.910 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.278 -4.603 9.513 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.852 -3.284 9.779 1.00 0.36 C ATOM 2125 C PRO A 140 8.397 -3.265 9.679 1.00 0.57 C ATOM 2126 O PRO A 140 9.090 -2.732 10.553 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.293 -2.859 11.143 1.00 0.00 C ATOM 2128 CG PRO A 140 6.040 -4.176 11.867 1.00 0.00 C ATOM 2129 CD PRO A 140 5.765 -5.177 10.750 1.00 0.30 C ATOM 0 HA PRO A 140 6.566 -2.558 9.017 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.001 -2.235 11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.375 -2.281 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.902 -4.473 12.463 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.193 -4.098 12.548 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.250 -6.130 10.961 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.696 -5.375 10.667 1.00 0.30 H new ATOM 2137 N THR A 141 8.925 -3.877 8.612 1.00 -0.73 N ATOM 2138 CA THR A 141 10.321 -3.899 8.196 1.00 0.36 C ATOM 2139 C THR A 141 10.340 -4.453 6.763 1.00 0.57 C ATOM 2140 O THR A 141 9.444 -5.206 6.373 1.00 -0.57 O ATOM 2141 CB THR A 141 11.156 -4.723 9.209 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.834 -3.820 10.054 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.225 -5.672 8.652 1.00 0.00 C ATOM 0 H THR A 141 8.336 -4.409 7.971 1.00 -0.73 H new ATOM 0 HA THR A 141 10.780 -2.910 8.189 1.00 0.36 H new ATOM 0 HB THR A 141 10.417 -5.363 9.692 1.00 0.28 H new ATOM 0 HG1 THR A 141 11.190 -3.197 10.451 1.00 -0.68 H new ATOM 0 HG21 THR A 141 12.726 -6.179 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 141 11.754 -6.411 8.004 1.00 0.00 H new ATOM 0 HG23 THR A 141 12.956 -5.101 8.079 1.00 0.00 H new ATOM 2151 N TYR A 142 11.362 -4.068 5.988 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.630 -4.571 4.642 1.00 0.36 C ATOM 2153 C TYR A 142 11.564 -6.111 4.597 1.00 0.57 C ATOM 2154 O TYR A 142 12.057 -6.769 5.512 1.00 -0.57 O ATOM 2155 CB TYR A 142 13.010 -4.037 4.228 1.00 0.14 C ATOM 2156 CG TYR A 142 13.401 -4.215 2.773 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 12.543 -3.801 1.734 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 14.666 -4.744 2.461 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 12.932 -3.937 0.384 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 15.056 -4.899 1.122 1.00 -0.15 C ATOM 2161 CZ TYR A 142 14.194 -4.510 0.078 1.00 0.08 C ATOM 2162 OH TYR A 142 14.637 -4.704 -1.195 1.00 -0.53 O ATOM 0 H TYR A 142 12.045 -3.375 6.294 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.872 -4.225 3.940 1.00 0.36 H new ATOM 0 HB2 TYR A 142 13.048 -2.973 4.463 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.763 -4.526 4.845 1.00 0.14 H new ATOM 0 HD1 TYR A 142 11.579 -3.376 1.973 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 15.340 -5.032 3.255 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 12.276 -3.608 -0.408 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 16.023 -5.319 0.890 1.00 -0.15 H new ATOM 0 HH TYR A 142 14.045 -4.238 -1.822 1.00 -0.53 H new ATOM 2172 N GLY A 143 10.940 -6.667 3.547 1.00 -0.73 N ATOM 2173 CA GLY A 143 10.667 -8.096 3.373 1.00 0.36 C ATOM 2174 C GLY A 143 11.876 -8.989 3.662 1.00 0.57 C ATOM 2175 O GLY A 143 12.744 -9.139 2.806 1.00 -0.57 O ATOM 0 H GLY A 143 10.599 -6.107 2.765 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 9.847 -8.384 4.031 1.00 0.36 H new ATOM 0 HA3 GLY A 143 10.332 -8.272 2.351 1.00 0.36 H new ATOM 2179 N ASN A 144 11.911 -9.579 4.867 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.035 -10.367 5.388 1.00 0.36 C ATOM 2181 C ASN A 144 13.361 -11.574 4.496 1.00 0.57 C ATOM 2182 O ASN A 144 14.532 -11.932 4.318 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.701 -10.838 6.823 1.00 0.06 C ATOM 2184 CG ASN A 144 13.553 -10.150 7.885 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.750 -10.388 7.969 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.957 -9.310 8.723 1.00 -0.80 N ATOM 0 H ASN A 144 11.133 -9.518 5.524 1.00 -0.73 H new ATOM 0 HA ASN A 144 13.920 -9.730 5.397 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.648 -10.645 7.028 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.846 -11.916 6.890 1.00 0.06 H new ATOM 0 HD21 ASN A 144 13.499 -8.849 9.454 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.958 -9.126 8.635 1.00 -0.80 H new ATOM 2193 N GLY A 145 12.313 -12.199 3.947 1.00 -0.73 N ATOM 2194 CA GLY A 145 12.415 -13.366 3.084 1.00 0.36 C ATOM 2195 C GLY A 145 12.667 -12.953 1.635 1.00 0.57 C ATOM 2196 O GLY A 145 13.820 -12.909 1.199 1.00 -0.57 O ATOM 0 H GLY A 145 11.351 -11.895 4.098 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 13.225 -14.009 3.429 1.00 0.36 H new ATOM 0 HA3 GLY A 145 11.497 -13.950 3.145 1.00 0.36 H new ATOM 2200 N ASP A 146 11.595 -12.665 0.885 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.683 -12.280 -0.524 1.00 0.36 C ATOM 2202 C ASP A 146 10.443 -11.438 -0.885 1.00 0.57 C ATOM 2203 O ASP A 146 9.342 -11.985 -0.939 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.799 -13.553 -1.392 1.00 0.06 C ATOM 2205 CG ASP A 146 11.852 -13.304 -2.906 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.464 -12.231 -3.338 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.223 -14.319 -3.682 1.00 -0.65 O ATOM 0 H ASP A 146 10.640 -12.694 1.243 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.569 -11.673 -0.711 1.00 0.36 H new ATOM 0 HB2 ASP A 146 12.697 -14.095 -1.097 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.950 -14.201 -1.175 1.00 0.06 H new ATOM 2213 N PRO A 147 10.587 -10.116 -1.119 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.473 -9.255 -1.502 1.00 0.36 C ATOM 2215 C PRO A 147 9.044 -9.422 -2.970 1.00 0.57 C ATOM 2216 O PRO A 147 7.969 -8.957 -3.347 1.00 -0.57 O ATOM 2217 CB PRO A 147 9.974 -7.831 -1.233 1.00 0.00 C ATOM 2218 CG PRO A 147 11.490 -7.905 -1.355 1.00 0.00 C ATOM 2219 CD PRO A 147 11.825 -9.354 -1.012 1.00 0.30 C ATOM 0 HA PRO A 147 8.579 -9.509 -0.933 1.00 0.36 H new ATOM 0 HB2 PRO A 147 9.556 -7.125 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.676 -7.491 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 147 11.821 -7.647 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.979 -7.211 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.579 -9.747 -1.694 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.236 -9.426 -0.005 1.00 0.30 H new ATOM 2227 N GLN A 148 9.881 -10.034 -3.820 1.00 -0.73 N ATOM 2228 CA GLN A 148 9.591 -10.314 -5.226 1.00 0.36 C ATOM 2229 C GLN A 148 8.601 -11.484 -5.312 1.00 0.57 C ATOM 2230 O GLN A 148 7.663 -11.446 -6.110 1.00 -0.57 O ATOM 2231 CB GLN A 148 10.929 -10.630 -5.944 1.00 0.00 C ATOM 2232 CG GLN A 148 11.230 -9.797 -7.206 1.00 0.06 C ATOM 2233 CD GLN A 148 11.021 -10.514 -8.547 1.00 0.57 C ATOM 2234 OE1 GLN A 148 11.105 -11.733 -8.679 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 10.764 -9.748 -9.602 1.00 -0.80 N ATOM 0 H GLN A 148 10.806 -10.356 -3.535 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.130 -9.456 -5.716 1.00 0.36 H new ATOM 0 HB2 GLN A 148 11.743 -10.485 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.931 -11.685 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.600 -8.907 -7.190 1.00 0.06 H new ATOM 0 HG3 GLN A 148 12.264 -9.457 -7.155 1.00 0.06 H new ATOM 0 HE21 GLN A 148 10.694 -8.736 -9.493 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 10.636 -10.172 -10.521 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.756 -12.494 -4.447 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.785 -13.577 -4.277 1.00 0.36 C ATOM 2246 C ASN A 149 6.584 -13.110 -3.442 1.00 0.57 C ATOM 2247 O ASN A 149 6.433 -13.494 -2.287 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.434 -14.836 -3.677 1.00 0.06 C ATOM 2249 CG ASN A 149 9.061 -15.724 -4.741 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.354 -16.245 -5.610 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.366 -15.934 -4.679 1.00 -0.80 N ATOM 0 H ASN A 149 9.570 -12.581 -3.839 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.419 -13.850 -5.267 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.197 -14.541 -2.957 1.00 0.06 H new ATOM 0 HB3 ASN A 149 7.682 -15.404 -3.129 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.818 -16.542 -5.362 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.920 -15.488 -3.948 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.714 -12.299 -4.050 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.508 -11.726 -3.444 1.00 0.36 C ATOM 2260 C PHE A 150 3.688 -12.710 -2.607 1.00 0.57 C ATOM 2261 O PHE A 150 3.613 -12.571 -1.390 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.623 -11.175 -4.568 1.00 0.14 C ATOM 2263 CG PHE A 150 3.803 -9.709 -4.787 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.068 -9.173 -5.089 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 2.678 -8.881 -4.680 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.208 -7.795 -5.266 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 2.805 -7.524 -4.952 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.069 -6.977 -5.204 1.00 -0.15 C ATOM 0 H PHE A 150 5.836 -12.011 -5.021 1.00 -0.73 H new ATOM 0 HA PHE A 150 4.842 -10.951 -2.755 1.00 0.36 H new ATOM 0 HB2 PHE A 150 3.848 -11.705 -5.493 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.578 -11.376 -4.332 1.00 0.14 H new ATOM 0 HD1 PHE A 150 5.925 -9.823 -5.183 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 1.723 -9.293 -4.389 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.181 -7.364 -5.448 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 1.929 -6.892 -4.969 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.169 -5.912 -5.353 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.048 -13.654 -3.317 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.232 -14.774 -2.852 1.00 0.36 C ATOM 2280 C LYS A 151 1.610 -14.502 -1.475 1.00 0.57 C ATOM 2281 O LYS A 151 2.075 -15.048 -0.476 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.061 -16.072 -2.917 1.00 0.00 C ATOM 2283 CG LYS A 151 3.249 -16.632 -4.345 1.00 0.00 C ATOM 2284 CD LYS A 151 4.121 -15.774 -5.282 1.00 0.00 C ATOM 2285 CE LYS A 151 4.366 -16.457 -6.635 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.754 -16.952 -6.788 1.00 -0.85 N ATOM 0 H LYS A 151 3.099 -13.645 -4.336 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.377 -14.899 -3.516 1.00 0.36 H new ATOM 0 HB2 LYS A 151 4.042 -15.886 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.577 -16.831 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.692 -17.625 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.267 -16.754 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.637 -14.811 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.078 -15.572 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.674 -17.292 -6.746 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.146 -15.752 -7.437 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 6.052 -16.848 -7.779 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 6.389 -16.400 -6.176 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 5.797 -17.955 -6.517 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.579 -13.637 -1.479 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.170 -13.136 -0.324 1.00 0.36 C ATOM 2302 C LEU A 152 -0.215 -14.186 0.792 1.00 0.57 C ATOM 2303 O LEU A 152 -0.818 -15.242 0.599 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.610 -12.752 -0.731 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.786 -11.575 -1.715 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.871 -12.064 -3.164 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.068 -10.776 -1.420 1.00 0.00 C ATOM 0 H LEU A 152 0.227 -13.246 -2.353 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.343 -12.248 0.045 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.080 -13.631 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.164 -12.516 0.178 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.911 -10.939 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.995 -11.210 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.956 -12.596 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.723 -12.735 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.158 -9.956 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.934 -11.432 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.021 -10.374 -0.408 1.00 0.00 H new ATOM 2319 N SER A 153 0.462 -13.923 1.919 1.00 -0.73 N ATOM 2320 CA SER A 153 0.728 -14.961 2.911 1.00 0.36 C ATOM 2321 C SER A 153 -0.467 -15.138 3.859 1.00 0.57 C ATOM 2322 O SER A 153 -1.447 -15.794 3.498 1.00 -0.57 O ATOM 2323 CB SER A 153 2.068 -14.698 3.619 1.00 0.28 C ATOM 2324 OG SER A 153 2.411 -15.848 4.372 1.00 -0.68 O ATOM 0 H SER A 153 0.832 -13.004 2.161 1.00 -0.73 H new ATOM 0 HA SER A 153 0.840 -15.923 2.411 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.846 -14.478 2.888 1.00 0.28 H new ATOM 0 HB3 SER A 153 1.988 -13.828 4.271 1.00 0.28 H new ATOM 0 HG SER A 153 1.905 -15.852 5.211 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.417 -14.557 5.064 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.490 -14.682 6.042 1.00 0.36 C ATOM 2332 C GLN A 154 -1.901 -13.315 6.511 1.00 0.57 C ATOM 2333 O GLN A 154 -3.080 -13.037 6.445 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.094 -15.527 7.258 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.900 -17.014 6.923 1.00 0.06 C ATOM 2336 CD GLN A 154 0.483 -17.519 7.327 1.00 0.57 C ATOM 2337 OE1 GLN A 154 1.490 -16.931 6.959 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 0.556 -18.616 8.072 1.00 -0.80 N ATOM 0 H GLN A 154 0.369 -13.990 5.382 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.316 -15.191 5.545 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.170 -15.133 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.862 -15.431 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.663 -17.602 7.432 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -1.042 -17.165 5.853 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -0.298 -19.090 8.367 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 1.466 -18.985 8.349 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.966 -12.461 6.917 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.185 -11.045 7.181 1.00 0.36 C ATOM 2349 C ASP A 155 -2.033 -10.384 6.100 1.00 0.57 C ATOM 2350 O ASP A 155 -2.990 -9.681 6.422 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.188 -10.368 7.265 1.00 0.06 C ATOM 2352 CG ASP A 155 1.034 -10.502 5.996 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.615 -9.494 5.627 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.120 -11.683 5.391 1.00 -0.65 O ATOM 0 H ASP A 155 -0.000 -12.748 7.077 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.733 -10.937 8.117 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.046 -9.310 7.483 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.740 -10.794 8.103 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.717 -10.672 4.835 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.398 -10.092 3.693 1.00 0.36 C ATOM 2362 C ASP A 156 -3.850 -10.579 3.646 1.00 0.57 C ATOM 2363 O ASP A 156 -4.766 -9.762 3.691 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.628 -10.456 2.409 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.425 -9.294 1.434 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.857 -9.541 0.383 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.803 -8.073 1.800 1.00 -0.65 O ATOM 0 H ASP A 156 -0.973 -11.322 4.581 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.423 -9.006 3.780 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.652 -10.854 2.687 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.163 -11.255 1.895 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.075 -11.905 3.647 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.418 -12.497 3.644 1.00 0.36 C ATOM 2375 C ILE A 157 -6.181 -12.115 4.914 1.00 0.57 C ATOM 2376 O ILE A 157 -7.386 -11.916 4.846 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.371 -14.041 3.434 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.475 -14.406 1.935 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.504 -14.809 4.150 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.169 -14.175 1.179 1.00 0.00 C ATOM 0 H ILE A 157 -3.325 -12.596 3.650 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.962 -12.086 2.794 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.413 -14.337 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.765 -15.452 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.266 -13.813 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.400 -15.876 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.444 -14.629 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.469 -14.464 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.301 -14.448 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.890 -13.123 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.382 -14.788 1.617 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.513 -12.047 6.068 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.091 -11.729 7.366 1.00 0.36 C ATOM 2394 C LYS A 158 -6.581 -10.285 7.337 1.00 0.57 C ATOM 2395 O LYS A 158 -7.725 -10.034 7.713 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.045 -11.956 8.469 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.649 -12.088 9.866 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.518 -12.073 10.906 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.963 -12.699 12.229 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.891 -14.181 12.207 1.00 -0.85 N ATOM 0 H LYS A 158 -4.509 -12.221 6.120 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.938 -12.380 7.582 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.478 -12.859 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.338 -11.126 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.344 -11.269 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.219 -13.014 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -3.657 -12.617 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.195 -11.046 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -4.336 -12.320 13.036 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -5.985 -12.391 12.448 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -5.202 -14.557 13.125 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.509 -14.547 11.455 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -3.911 -14.478 12.025 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.761 -9.368 6.808 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.148 -7.992 6.567 1.00 0.36 C ATOM 2416 C GLY A 159 -7.314 -7.937 5.586 1.00 0.57 C ATOM 2417 O GLY A 159 -8.338 -7.344 5.906 1.00 -0.57 O ATOM 0 H GLY A 159 -4.800 -9.574 6.535 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.431 -7.516 7.506 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.301 -7.433 6.169 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.200 -8.612 4.438 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.229 -8.662 3.402 1.00 0.36 C ATOM 2423 C ILE A 160 -9.561 -9.173 3.969 1.00 0.57 C ATOM 2424 O ILE A 160 -10.555 -8.454 3.905 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.692 -9.467 2.185 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.058 -8.544 1.122 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.683 -10.426 1.510 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.043 -7.571 0.463 1.00 0.00 C ATOM 0 H ILE A 160 -6.368 -9.151 4.200 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.453 -7.659 3.039 1.00 0.36 H new ATOM 0 HB ILE A 160 -6.934 -10.108 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.256 -7.971 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.602 -9.161 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.193 -10.929 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.021 -11.168 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.540 -9.863 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.516 -6.961 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.833 -8.134 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.481 -6.926 1.224 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.595 -10.364 4.579 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.812 -10.962 5.128 1.00 0.36 C ATOM 2442 C GLN A 161 -11.395 -10.112 6.252 1.00 0.57 C ATOM 2443 O GLN A 161 -12.580 -10.212 6.552 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.580 -12.412 5.597 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.834 -12.528 6.941 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.760 -13.959 7.463 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.304 -14.273 8.518 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -9.115 -14.860 6.736 1.00 -0.80 N ATOM 0 H GLN A 161 -8.766 -10.945 4.705 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.541 -10.993 4.319 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -11.544 -12.913 5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.013 -12.943 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -8.823 -12.138 6.823 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -10.333 -11.903 7.682 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -8.668 -14.585 5.862 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -9.066 -15.829 7.051 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.566 -9.302 6.917 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.023 -8.374 7.933 1.00 0.36 C ATOM 2459 C LYS A 162 -11.609 -7.123 7.300 1.00 0.57 C ATOM 2460 O LYS A 162 -12.629 -6.648 7.789 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.842 -8.095 8.877 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.147 -7.210 10.089 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.693 -7.980 11.301 1.00 0.00 C ATOM 2464 CE LYS A 162 -12.059 -8.627 11.053 1.00 0.50 C ATOM 2465 NZ LYS A 162 -11.958 -10.023 10.554 1.00 -0.85 N ATOM 0 H LYS A 162 -9.559 -9.278 6.759 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.837 -8.799 8.520 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.456 -9.049 9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.045 -7.626 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.237 -6.687 10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -10.871 -6.449 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -9.979 -8.755 11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.772 -7.299 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -12.632 -8.619 11.980 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -12.613 -8.028 10.330 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -12.784 -10.240 9.961 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -11.090 -10.128 9.990 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -11.928 -10.679 11.361 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.030 -6.655 6.196 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.484 -5.513 5.420 1.00 0.36 C ATOM 2481 C LEU A 163 -12.959 -5.669 5.026 1.00 0.57 C ATOM 2482 O LEU A 163 -13.783 -4.808 5.348 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.578 -5.411 4.175 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.022 -4.008 3.895 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -8.503 -4.033 4.065 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.375 -3.626 2.460 1.00 0.00 C ATOM 0 H LEU A 163 -10.193 -7.085 5.804 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.415 -4.599 6.010 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -9.742 -6.100 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.143 -5.743 3.304 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.450 -3.281 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -8.098 -3.040 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.256 -4.330 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.070 -4.747 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.988 -2.631 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -9.932 -4.346 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -11.458 -3.628 2.339 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.294 -6.795 4.374 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.639 -7.066 3.845 1.00 0.36 C ATOM 2500 C TYR A 164 -15.486 -7.955 4.772 1.00 0.57 C ATOM 2501 O TYR A 164 -16.593 -8.365 4.403 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.552 -7.640 2.416 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.183 -9.116 2.287 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.835 -9.496 2.195 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.178 -10.109 2.197 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.472 -10.836 1.993 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.825 -11.465 2.048 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.462 -11.834 1.947 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.082 -13.137 1.829 1.00 -0.53 O ATOM 0 H TYR A 164 -12.631 -7.550 4.198 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.163 -6.111 3.800 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.515 -7.487 1.930 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.818 -7.057 1.860 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.064 -8.744 2.281 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.220 -9.829 2.243 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.432 -11.101 1.873 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.594 -12.222 2.011 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.877 -13.709 1.812 1.00 -0.53 H new ATOM 2519 N GLY A 165 -14.972 -8.268 5.965 1.00 -0.73 N ATOM 2520 CA GLY A 165 -15.563 -9.220 6.894 1.00 0.36 C ATOM 2521 C GLY A 165 -16.057 -8.521 8.155 1.00 0.57 C ATOM 2522 O GLY A 165 -16.554 -7.399 8.093 1.00 -0.57 O ATOM 0 H GLY A 165 -14.109 -7.852 6.316 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -16.393 -9.736 6.412 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -14.827 -9.979 7.160 1.00 0.36 H new ATOM 2526 N LYS A 166 -15.944 -9.215 9.297 1.00 -0.73 N ATOM 2527 CA LYS A 166 -16.400 -8.712 10.595 1.00 0.36 C ATOM 2528 C LYS A 166 -15.407 -9.017 11.717 1.00 0.57 C ATOM 2529 O LYS A 166 -14.840 -8.092 12.303 1.00 -0.57 O ATOM 2530 CB LYS A 166 -17.786 -9.299 10.925 1.00 0.00 C ATOM 2531 CG LYS A 166 -18.930 -8.383 10.466 1.00 0.00 C ATOM 2532 CD LYS A 166 -20.215 -8.731 11.226 1.00 0.00 C ATOM 2533 CE LYS A 166 -21.351 -7.764 10.867 1.00 0.50 C ATOM 2534 NZ LYS A 166 -22.386 -8.418 10.040 1.00 -0.85 N ATOM 0 H LYS A 166 -15.531 -10.146 9.343 1.00 -0.73 H new ATOM 0 HA LYS A 166 -16.472 -7.627 10.522 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -17.889 -10.273 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -17.863 -9.462 12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -18.665 -7.340 10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -19.090 -8.496 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -20.515 -9.752 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -20.027 -8.694 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -21.805 -7.380 11.781 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -20.944 -6.908 10.330 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -23.137 -7.733 9.818 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -21.958 -8.762 9.157 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -22.793 -9.220 10.563 1.00 -0.85 H new ATOM 2548 N ARG A 167 -15.156 -10.302 11.996 1.00 -0.73 N ATOM 2549 CA ARG A 167 -14.187 -10.792 12.975 1.00 0.36 C ATOM 2550 C ARG A 167 -13.890 -12.257 12.650 1.00 0.57 C ATOM 2551 O ARG A 167 -14.733 -12.914 12.045 1.00 -0.57 O ATOM 2552 CB ARG A 167 -14.699 -10.629 14.421 1.00 0.00 C ATOM 2553 CG ARG A 167 -15.997 -11.383 14.767 1.00 0.00 C ATOM 2554 CD ARG A 167 -17.257 -10.504 14.705 1.00 0.33 C ATOM 2555 NE ARG A 167 -17.829 -10.309 16.044 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -19.116 -10.132 16.370 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -20.057 -9.993 15.431 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -19.448 -10.103 17.656 1.00 -0.97 N ATOM 0 H ARG A 167 -15.647 -11.060 11.522 1.00 -0.73 H new ATOM 0 HA ARG A 167 -13.273 -10.202 12.912 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -13.916 -10.962 15.102 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -14.857 -9.568 14.612 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -16.115 -12.220 14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -15.907 -11.803 15.769 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -17.009 -9.537 14.267 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -17.997 -10.969 14.054 1.00 0.33 H new ATOM 0 HE ARG A 167 -17.166 -10.308 16.819 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -19.801 -10.021 14.444 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -21.031 -9.859 15.701 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -18.729 -10.214 18.371 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -20.422 -9.969 17.928 1.00 -0.97 H new ATOM 2572 N SER A 168 -12.703 -12.734 13.028 1.00 -0.73 N ATOM 2573 CA SER A 168 -12.275 -14.128 12.968 1.00 0.36 C ATOM 2574 C SER A 168 -10.870 -14.158 13.563 1.00 0.57 C ATOM 2575 O SER A 168 -10.024 -13.362 13.148 1.00 -0.57 O ATOM 2576 CB SER A 168 -12.237 -14.660 11.523 1.00 0.28 C ATOM 2577 OG SER A 168 -13.250 -15.624 11.324 1.00 -0.68 O ATOM 0 H SER A 168 -11.977 -12.124 13.404 1.00 -0.73 H new ATOM 0 HA SER A 168 -12.975 -14.762 13.513 1.00 0.36 H new ATOM 0 HB2 SER A 168 -12.369 -13.836 10.822 1.00 0.28 H new ATOM 0 HB3 SER A 168 -11.262 -15.101 11.317 1.00 0.28 H new ATOM 0 HG SER A 168 -13.214 -15.951 10.401 1.00 -0.68 H new ATOM 2583 N ASN A 169 -10.645 -15.072 14.516 1.00 -0.73 N ATOM 2584 CA ASN A 169 -9.428 -15.205 15.319 1.00 0.36 C ATOM 2585 C ASN A 169 -9.111 -13.955 16.169 1.00 0.57 C ATOM 2586 O ASN A 169 -9.693 -12.882 15.975 1.00 -0.57 O ATOM 2587 CB ASN A 169 -8.254 -15.641 14.412 1.00 0.06 C ATOM 2588 CG ASN A 169 -7.588 -16.929 14.892 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -8.256 -17.905 15.211 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -6.264 -16.971 14.934 1.00 -0.80 N ATOM 0 H ASN A 169 -11.345 -15.774 14.758 1.00 -0.73 H new ATOM 0 HA ASN A 169 -9.597 -15.987 16.059 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -8.619 -15.782 13.395 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -7.512 -14.844 14.377 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -5.790 -17.823 15.234 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -5.719 -16.152 14.666 1.00 -0.80 H new ATOM 2597 N SER A 170 -8.204 -14.105 17.142 1.00 -0.73 N ATOM 2598 CA SER A 170 -7.670 -13.024 17.972 1.00 0.36 C ATOM 2599 C SER A 170 -6.482 -13.594 18.767 1.00 0.57 C ATOM 2600 O SER A 170 -6.682 -14.418 19.658 1.00 -0.57 O ATOM 2601 CB SER A 170 -8.771 -12.491 18.912 1.00 0.28 C ATOM 2602 OG SER A 170 -8.324 -11.348 19.613 1.00 -0.68 O ATOM 0 H SER A 170 -7.809 -15.015 17.379 1.00 -0.73 H new ATOM 0 HA SER A 170 -7.334 -12.187 17.359 1.00 0.36 H new ATOM 0 HB2 SER A 170 -9.661 -12.243 18.333 1.00 0.28 H new ATOM 0 HB3 SER A 170 -9.058 -13.268 19.620 1.00 0.28 H new ATOM 0 HG SER A 170 -9.038 -11.025 20.202 1.00 -0.68 H new ATOM 2608 N ARG A 171 -5.237 -13.222 18.424 1.00 -0.73 N ATOM 2609 CA ARG A 171 -4.021 -13.661 19.128 1.00 0.36 C ATOM 2610 C ARG A 171 -2.899 -12.657 18.852 1.00 0.57 C ATOM 2611 O ARG A 171 -2.961 -11.958 17.840 1.00 -0.57 O ATOM 2612 CB ARG A 171 -3.628 -15.090 18.671 1.00 0.00 C ATOM 2613 CG ARG A 171 -3.746 -16.131 19.804 1.00 0.00 C ATOM 2614 CD ARG A 171 -2.385 -16.500 20.425 1.00 0.33 C ATOM 2615 NE ARG A 171 -2.494 -16.902 21.843 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -3.028 -18.033 22.338 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -3.509 -18.978 21.528 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -3.100 -18.211 23.658 1.00 -0.97 N ATOM 0 H ARG A 171 -5.045 -12.599 17.639 1.00 -0.73 H new ATOM 0 HA ARG A 171 -4.202 -13.698 20.202 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -4.266 -15.390 17.840 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -2.604 -15.079 18.298 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -4.401 -15.740 20.583 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -4.218 -17.033 19.414 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -1.939 -17.314 19.854 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -1.711 -15.647 20.344 1.00 0.33 H new ATOM 0 HE ARG A 171 -2.120 -16.244 22.527 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -3.475 -18.849 20.517 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -3.911 -19.830 21.920 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -2.751 -17.490 24.290 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -3.505 -19.068 24.036 1.00 -0.97 H new ATOM 2632 N LYS A 172 -1.897 -12.570 19.748 1.00 -0.73 N ATOM 2633 CA LYS A 172 -0.798 -11.590 19.672 1.00 0.36 C ATOM 2634 C LYS A 172 0.357 -11.936 20.634 1.00 0.57 C ATOM 2635 O LYS A 172 0.728 -11.138 21.504 1.00 -0.57 O ATOM 2636 CB LYS A 172 -1.360 -10.147 19.817 1.00 0.00 C ATOM 2637 CG LYS A 172 -1.100 -9.353 18.523 1.00 0.00 C ATOM 2638 CD LYS A 172 -2.099 -8.218 18.248 1.00 0.00 C ATOM 2639 CE LYS A 172 -1.485 -6.833 18.478 1.00 0.50 C ATOM 2640 NZ LYS A 172 -2.159 -5.798 17.658 1.00 -0.85 N ATOM 0 H LYS A 172 -1.828 -13.188 20.557 1.00 -0.73 H new ATOM 0 HA LYS A 172 -0.338 -11.640 18.685 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -2.430 -10.183 20.024 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -0.888 -9.646 20.663 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -0.096 -8.931 18.569 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -1.117 -10.044 17.680 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -2.453 -8.290 17.219 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -2.969 -8.339 18.893 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -1.562 -6.570 19.533 1.00 0.50 H new ATOM 0 HE3 LYS A 172 -0.423 -6.859 18.233 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 -1.720 -4.873 17.837 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 -2.064 -6.037 16.650 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 -3.167 -5.757 17.910 1.00 -0.85 H new ATOM 2654 N LYS A 173 0.911 -13.145 20.490 1.00 -0.73 N ATOM 2655 CA LYS A 173 1.978 -13.659 21.342 1.00 0.19 C ATOM 2656 CB LYS A 173 1.376 -14.221 22.654 1.00 0.00 C ATOM 2657 CG LYS A 173 2.036 -13.579 23.880 1.00 0.00 C ATOM 2658 CD LYS A 173 1.518 -14.227 25.170 1.00 0.00 C ATOM 2659 CE LYS A 173 2.534 -14.047 26.302 1.00 0.50 C ATOM 2660 NZ LYS A 173 2.021 -14.602 27.569 1.00 -0.85 N ATOM 0 H LYS A 173 0.622 -13.801 19.765 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 0.302 -14.034 22.675 1.00 0.00 H new ATOM 0 HB3 LYS A 173 1.512 -15.302 22.687 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.118 -13.692 23.819 1.00 0.00 H new ATOM 0 HG3 LYS A 173 1.827 -12.509 23.894 1.00 0.00 H new ATOM 0 HD2 LYS A 173 0.565 -13.779 25.453 1.00 0.00 H new ATOM 0 HD3 LYS A 173 1.334 -15.288 25.003 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.469 -14.540 26.037 1.00 0.50 H new ATOM 0 HE3 LYS A 173 2.757 -12.988 26.429 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 2.729 -14.467 28.319 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 1.141 -14.113 27.831 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 1.831 -15.618 27.451 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 13.217 6.983 5.128 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.626 10.080 -0.133 1.00 2.00 CA HETATM 2677 ZN ZN A 176 2.472 12.229 4.082 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.337 -0.786 7.174 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 6.477 2.501 11.150 1.00 0.00 C HETATM 2680 C2 MDW A 178 5.557 3.526 11.362 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.356 3.993 12.626 1.00 0.00 O HETATM 2682 C7 MDW A 178 4.791 4.033 10.308 1.00 0.00 C HETATM 2683 O12 MDW A 178 3.870 5.044 10.555 1.00 0.00 O HETATM 2684 C13 MDW A 178 2.575 5.060 9.909 1.00 0.00 C HETATM 2685 C6 MDW A 178 4.962 3.497 9.028 1.00 0.00 C HETATM 2686 C5 MDW A 178 5.843 2.433 8.813 1.00 0.00 C HETATM 2687 C8 MDW A 178 5.880 1.790 7.434 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.552 1.120 7.163 1.00 0.00 C HETATM 2689 O15 MDW A 178 4.163 0.094 7.783 1.00 0.00 O HETATM 2690 N16 MDW A 178 3.778 1.724 6.231 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.616 1.084 5.828 1.00 0.00 O HETATM 2692 C4 MDW A 178 6.602 1.928 9.882 1.00 0.00 C HETATM 2693 C10 MDW A 178 7.533 0.750 9.676 1.00 0.00 C HETATM 2694 C11 MDW A 178 7.222 -0.053 8.405 1.00 0.00 C HETATM 2695 N9 MDW A 178 7.015 0.842 7.246 1.00 0.00 N HETATM 2696 S18 MDW A 178 8.386 1.407 6.484 1.00 0.00 S HETATM 2697 O40 MDW A 178 8.167 2.823 6.105 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.611 1.070 7.263 1.00 0.00 O HETATM 2699 C19 MDW A 178 8.318 0.462 5.002 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.398 0.795 4.002 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.436 0.116 2.782 1.00 0.00 C HETATM 2702 C22 MDW A 178 8.391 -0.886 2.574 1.00 0.00 C HETATM 2703 O25 MDW A 178 8.517 -1.490 1.338 1.00 0.00 O HETATM 2704 C26 MDW A 178 9.757 -1.303 0.622 1.00 0.00 C HETATM 2705 C23 MDW A 178 9.265 -1.248 3.604 1.00 0.00 C HETATM 2706 C24 MDW A 178 9.240 -0.567 4.817 1.00 0.00 C HETATM 0 H48 MDW A 178 6.658 1.577 4.173 1.00 0.00 H new HETATM 0 H47 MDW A 178 9.914 -0.240 0.438 1.00 0.00 H new HETATM 0 H46 MDW A 178 10.583 -1.694 1.216 1.00 0.00 H new HETATM 0 H45 MDW A 178 9.711 -1.833 -0.329 1.00 0.00 H new HETATM 0 H44 MDW A 178 9.934 -0.835 5.614 1.00 0.00 H new HETATM 0 H43 MDW A 178 9.969 -2.067 3.456 1.00 0.00 H new HETATM 0 H42 MDW A 178 6.725 0.365 1.995 1.00 0.00 H new HETATM 0 H38 MDW A 178 4.043 2.626 5.836 1.00 0.00 H new HETATM 0 H37 MDW A 178 2.708 5.104 8.828 1.00 0.00 H new HETATM 0 H36 MDW A 178 2.027 4.155 10.171 1.00 0.00 H new HETATM 0 H35 MDW A 178 2.013 5.933 10.241 1.00 0.00 H new HETATM 0 H34 MDW A 178 8.042 -0.740 8.196 1.00 0.00 H new HETATM 0 H33 MDW A 178 6.330 -0.660 8.564 1.00 0.00 H new HETATM 0 H32 MDW A 178 8.560 1.111 9.627 1.00 0.00 H new HETATM 0 H31 MDW A 178 7.468 0.089 10.540 1.00 0.00 H new HETATM 0 H30 MDW A 178 6.051 2.584 6.707 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.403 3.913 8.190 1.00 0.00 H new HETATM 0 H28 MDW A 178 7.098 2.147 11.973 1.00 0.00 H new HETATM 0 H27 MDW A 178 4.430 4.300 12.718 1.00 0.00 H new