USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 THR OG1 : rot 21:sc= 0.796 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= -0.0884 USER MOD Set 1.3: A 98 THR OG1 : rot 164:sc= 1.3 USER MOD Set 2.1: A 69 TYR OH : rot -107:sc= 0.0413 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -0.0935 K(o=-0.052,f=-1.1) USER MOD Set 3.1: A 61 LYS NZ :NH3+ -167:sc=-0.00909 (180deg=-0.165) USER MOD Set 3.2: A 65 MET CE :methyl -158:sc= -0.103 (180deg=-0.605) USER MOD Set 4.1: A 8 HIS : no HD1:sc= 1.1 K(o=3.4,f=-3.5) USER MOD Set 4.2: A 24 TYR OH : rot -102:sc= 1.2 USER MOD Set 4.3: A 26 THR OG1 : rot -105:sc= 1.1 USER MOD Set 5.1: A 15 CYS SG : rot 79:sc= 0.376 USER MOD Set 5.2: A 19 SER OG : rot -113:sc= 1.22 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.9) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0714 (180deg=-0.351) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 170:sc= 0 USER MOD Single : A 25 THR OG1 : rot 94:sc= -1.15! USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.891) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -70:sc= -1.53! USER MOD Single : A 60 SER OG : rot 131:sc= 1.22 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= -0.0223 (180deg=-0.035) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.1) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.76 K(o=0.76,f=-0.0065) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.17) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 0.600 -17.149 -4.567 1.00 0.00 N ATOM 2 CA MET A 6 -0.020 -15.835 -4.581 1.00 0.00 C ATOM 3 C MET A 6 0.992 -14.752 -4.254 1.00 0.00 C ATOM 4 O MET A 6 1.376 -14.572 -3.099 1.00 0.00 O ATOM 5 CB MET A 6 -1.193 -15.758 -3.606 1.00 0.00 C ATOM 6 CG MET A 6 -2.432 -16.489 -4.087 1.00 0.00 C ATOM 7 SD MET A 6 -3.844 -16.248 -2.989 1.00 0.00 S ATOM 8 CE MET A 6 -5.108 -17.154 -3.877 1.00 0.00 C ATOM 0 HA MET A 6 -0.400 -15.671 -5.589 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.885 -16.174 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.443 -14.711 -3.434 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.690 -16.142 -5.087 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.214 -17.554 -4.166 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.047 -17.102 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.242 -16.717 -4.866 1.00 0.00 H new ATOM 0 HE3 MET A 6 -4.805 -18.196 -3.979 1.00 0.00 H new ATOM 18 N ASN A 7 1.430 -14.046 -5.282 1.00 0.00 N ATOM 19 CA ASN A 7 2.342 -12.926 -5.109 1.00 0.00 C ATOM 20 C ASN A 7 1.567 -11.682 -4.683 1.00 0.00 C ATOM 21 O ASN A 7 0.615 -11.274 -5.347 1.00 0.00 O ATOM 22 CB ASN A 7 3.125 -12.663 -6.404 1.00 0.00 C ATOM 23 CG ASN A 7 2.241 -12.641 -7.643 1.00 0.00 C ATOM 24 OD1 ASN A 7 1.978 -13.678 -8.250 1.00 0.00 O ATOM 25 ND2 ASN A 7 1.781 -11.462 -8.032 1.00 0.00 N ATOM 0 H ASN A 7 1.168 -14.229 -6.251 1.00 0.00 H new ATOM 0 HA ASN A 7 3.059 -13.174 -4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.645 -11.709 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.888 -13.433 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.188 -11.393 -8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.019 -10.622 -7.504 1.00 0.00 H new ATOM 32 N HIS A 8 1.967 -11.096 -3.560 1.00 0.00 N ATOM 33 CA HIS A 8 1.258 -9.946 -3.013 1.00 0.00 C ATOM 34 C HIS A 8 2.098 -8.682 -3.150 1.00 0.00 C ATOM 35 O HIS A 8 3.145 -8.548 -2.514 1.00 0.00 O ATOM 36 CB HIS A 8 0.903 -10.164 -1.533 1.00 0.00 C ATOM 37 CG HIS A 8 0.156 -11.441 -1.252 1.00 0.00 C ATOM 38 ND1 HIS A 8 -1.219 -11.542 -1.284 1.00 0.00 N ATOM 39 CD2 HIS A 8 0.609 -12.678 -0.932 1.00 0.00 C ATOM 40 CE1 HIS A 8 -1.576 -12.783 -1.001 1.00 0.00 C ATOM 41 NE2 HIS A 8 -0.485 -13.494 -0.785 1.00 0.00 N ATOM 0 H HIS A 8 2.774 -11.396 -3.013 1.00 0.00 H new ATOM 0 HA HIS A 8 0.335 -9.830 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.822 -10.159 -0.947 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.301 -9.323 -1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.642 -12.969 -0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.590 -13.153 -0.954 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.459 -14.486 -0.548 1.00 0.00 H new ATOM 50 N TYR A 9 1.639 -7.763 -3.984 1.00 0.00 N ATOM 51 CA TYR A 9 2.299 -6.477 -4.148 1.00 0.00 C ATOM 52 C TYR A 9 1.417 -5.377 -3.577 1.00 0.00 C ATOM 53 O TYR A 9 0.198 -5.415 -3.730 1.00 0.00 O ATOM 54 CB TYR A 9 2.570 -6.171 -5.626 1.00 0.00 C ATOM 55 CG TYR A 9 3.347 -7.234 -6.365 1.00 0.00 C ATOM 56 CD1 TYR A 9 4.657 -7.543 -6.021 1.00 0.00 C ATOM 57 CD2 TYR A 9 2.768 -7.920 -7.422 1.00 0.00 C ATOM 58 CE1 TYR A 9 5.366 -8.510 -6.711 1.00 0.00 C ATOM 59 CE2 TYR A 9 3.468 -8.884 -8.116 1.00 0.00 C ATOM 60 CZ TYR A 9 4.766 -9.178 -7.758 1.00 0.00 C ATOM 61 OH TYR A 9 5.463 -10.136 -8.459 1.00 0.00 O ATOM 0 H TYR A 9 0.807 -7.885 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 9 3.251 -6.520 -3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.616 -6.022 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.116 -5.230 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.129 -7.020 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.751 -7.695 -7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.383 -8.741 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.001 -9.407 -8.937 1.00 0.00 H new ATOM 0 HH TYR A 9 4.891 -10.508 -9.162 1.00 0.00 H new ATOM 71 N VAL A 10 2.027 -4.411 -2.914 1.00 0.00 N ATOM 72 CA VAL A 10 1.289 -3.282 -2.380 1.00 0.00 C ATOM 73 C VAL A 10 1.907 -1.978 -2.863 1.00 0.00 C ATOM 74 O VAL A 10 2.929 -1.532 -2.341 1.00 0.00 O ATOM 75 CB VAL A 10 1.258 -3.271 -0.837 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.274 -2.224 -0.330 1.00 0.00 C ATOM 77 CG2 VAL A 10 0.914 -4.643 -0.277 1.00 0.00 C ATOM 0 H VAL A 10 3.030 -4.386 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 10 0.265 -3.380 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 10 2.257 -3.011 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.265 -2.230 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.576 -1.239 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.725 -2.453 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.901 -4.599 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.068 -4.948 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.662 -5.366 -0.602 1.00 0.00 H new ATOM 87 N TYR A 11 1.307 -1.390 -3.880 1.00 0.00 N ATOM 88 CA TYR A 11 1.773 -0.110 -4.391 1.00 0.00 C ATOM 89 C TYR A 11 0.921 1.006 -3.818 1.00 0.00 C ATOM 90 O TYR A 11 -0.269 0.821 -3.567 1.00 0.00 O ATOM 91 CB TYR A 11 1.727 -0.070 -5.927 1.00 0.00 C ATOM 92 CG TYR A 11 0.361 -0.353 -6.518 1.00 0.00 C ATOM 93 CD1 TYR A 11 -0.548 0.671 -6.746 1.00 0.00 C ATOM 94 CD2 TYR A 11 -0.012 -1.646 -6.851 1.00 0.00 C ATOM 95 CE1 TYR A 11 -1.793 0.414 -7.289 1.00 0.00 C ATOM 96 CE2 TYR A 11 -1.253 -1.910 -7.393 1.00 0.00 C ATOM 97 CZ TYR A 11 -2.139 -0.880 -7.610 1.00 0.00 C ATOM 98 OH TYR A 11 -3.376 -1.145 -8.148 1.00 0.00 O ATOM 0 H TYR A 11 0.499 -1.774 -4.369 1.00 0.00 H new ATOM 0 HA TYR A 11 2.810 0.024 -4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.059 0.912 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.437 -0.798 -6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.278 1.686 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.679 -2.459 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.489 1.222 -7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.528 -2.923 -7.646 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.460 -2.107 -8.318 1.00 0.00 H new ATOM 108 N ILE A 12 1.520 2.156 -3.590 1.00 0.00 N ATOM 109 CA ILE A 12 0.757 3.302 -3.156 1.00 0.00 C ATOM 110 C ILE A 12 0.973 4.461 -4.133 1.00 0.00 C ATOM 111 O ILE A 12 2.088 4.964 -4.313 1.00 0.00 O ATOM 112 CB ILE A 12 1.078 3.690 -1.686 1.00 0.00 C ATOM 113 CG1 ILE A 12 0.002 4.626 -1.136 1.00 0.00 C ATOM 114 CG2 ILE A 12 2.452 4.327 -1.550 1.00 0.00 C ATOM 115 CD1 ILE A 12 0.184 4.969 0.329 1.00 0.00 C ATOM 0 H ILE A 12 2.521 2.319 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.302 3.045 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 12 1.086 2.770 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.002 5.547 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.975 4.162 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.633 4.582 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.214 3.625 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.495 5.231 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.616 5.636 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.154 4.056 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.146 5.462 0.470 1.00 0.00 H new ATOM 127 N LEU A 13 -0.093 4.829 -4.817 1.00 0.00 N ATOM 128 CA LEU A 13 -0.024 5.846 -5.856 1.00 0.00 C ATOM 129 C LEU A 13 -0.640 7.143 -5.371 1.00 0.00 C ATOM 130 O LEU A 13 -1.701 7.140 -4.757 1.00 0.00 O ATOM 131 CB LEU A 13 -0.753 5.362 -7.111 1.00 0.00 C ATOM 132 CG LEU A 13 -0.129 4.139 -7.790 1.00 0.00 C ATOM 133 CD1 LEU A 13 -1.052 3.591 -8.867 1.00 0.00 C ATOM 134 CD2 LEU A 13 1.223 4.491 -8.386 1.00 0.00 C ATOM 0 H LEU A 13 -1.024 4.438 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 13 1.024 6.025 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.784 5.126 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.789 6.180 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 13 0.014 3.368 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.589 2.723 -9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.001 3.298 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.229 4.359 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.651 3.610 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.100 5.281 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.890 4.835 -7.596 1.00 0.00 H new ATOM 146 N GLU A 14 0.028 8.247 -5.637 1.00 0.00 N ATOM 147 CA GLU A 14 -0.502 9.541 -5.276 1.00 0.00 C ATOM 148 C GLU A 14 -1.394 10.054 -6.393 1.00 0.00 C ATOM 149 O GLU A 14 -0.987 10.091 -7.558 1.00 0.00 O ATOM 150 CB GLU A 14 0.627 10.529 -4.999 1.00 0.00 C ATOM 151 CG GLU A 14 0.142 11.866 -4.474 1.00 0.00 C ATOM 152 CD GLU A 14 1.275 12.781 -4.087 1.00 0.00 C ATOM 153 OE1 GLU A 14 1.758 13.533 -4.958 1.00 0.00 O ATOM 154 OE2 GLU A 14 1.686 12.753 -2.905 1.00 0.00 O ATOM 0 H GLU A 14 0.936 8.272 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.091 9.440 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.314 10.091 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.192 10.691 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.469 12.351 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.499 11.701 -3.608 1.00 0.00 H new ATOM 161 N CYS A 15 -2.608 10.430 -6.042 1.00 0.00 N ATOM 162 CA CYS A 15 -3.573 10.896 -7.018 1.00 0.00 C ATOM 163 C CYS A 15 -3.311 12.355 -7.379 1.00 0.00 C ATOM 164 O CYS A 15 -2.394 12.984 -6.846 1.00 0.00 O ATOM 165 CB CYS A 15 -4.985 10.742 -6.460 1.00 0.00 C ATOM 166 SG CYS A 15 -5.335 9.093 -5.810 1.00 0.00 S ATOM 0 H CYS A 15 -2.951 10.422 -5.081 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.474 10.295 -7.922 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.134 11.474 -5.667 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.704 10.973 -7.246 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.802 8.969 -4.631 1.00 0.00 H new ATOM 172 N LYS A 16 -4.107 12.878 -8.305 1.00 0.00 N ATOM 173 CA LYS A 16 -4.065 14.296 -8.639 1.00 0.00 C ATOM 174 C LYS A 16 -4.434 15.131 -7.415 1.00 0.00 C ATOM 175 O LYS A 16 -4.048 16.292 -7.293 1.00 0.00 O ATOM 176 CB LYS A 16 -5.015 14.593 -9.803 1.00 0.00 C ATOM 177 CG LYS A 16 -4.953 16.031 -10.284 1.00 0.00 C ATOM 178 CD LYS A 16 -5.789 16.250 -11.531 1.00 0.00 C ATOM 179 CE LYS A 16 -5.749 17.705 -11.963 1.00 0.00 C ATOM 180 NZ LYS A 16 -4.357 18.180 -12.197 1.00 0.00 N ATOM 0 H LYS A 16 -4.790 12.340 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.053 14.560 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.776 13.930 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.036 14.365 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.303 16.693 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.917 16.300 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.419 15.617 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.820 15.952 -11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.332 17.828 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.219 18.323 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.380 19.084 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.877 18.312 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.840 17.475 -12.761 1.00 0.00 H new ATOM 194 N ASP A 17 -5.205 14.526 -6.521 1.00 0.00 N ATOM 195 CA ASP A 17 -5.554 15.144 -5.250 1.00 0.00 C ATOM 196 C ASP A 17 -4.718 14.532 -4.135 1.00 0.00 C ATOM 197 O ASP A 17 -3.997 13.559 -4.359 1.00 0.00 O ATOM 198 CB ASP A 17 -7.047 14.972 -4.951 1.00 0.00 C ATOM 199 CG ASP A 17 -7.449 13.519 -4.792 1.00 0.00 C ATOM 200 OD1 ASP A 17 -7.565 12.815 -5.818 1.00 0.00 O ATOM 201 OD2 ASP A 17 -7.656 13.075 -3.645 1.00 0.00 O ATOM 0 H ASP A 17 -5.604 13.597 -6.656 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.343 16.212 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.296 15.515 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.629 15.419 -5.757 1.00 0.00 H new ATOM 206 N GLY A 18 -4.833 15.086 -2.940 1.00 0.00 N ATOM 207 CA GLY A 18 -4.004 14.654 -1.829 1.00 0.00 C ATOM 208 C GLY A 18 -4.462 13.357 -1.184 1.00 0.00 C ATOM 209 O GLY A 18 -4.557 13.268 0.040 1.00 0.00 O ATOM 0 H GLY A 18 -5.490 15.833 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.979 14.531 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.990 15.439 -1.073 1.00 0.00 H new ATOM 213 N SER A 19 -4.756 12.358 -1.995 1.00 0.00 N ATOM 214 CA SER A 19 -5.074 11.040 -1.480 1.00 0.00 C ATOM 215 C SER A 19 -4.084 10.012 -2.020 1.00 0.00 C ATOM 216 O SER A 19 -3.743 10.021 -3.207 1.00 0.00 O ATOM 217 CB SER A 19 -6.509 10.644 -1.835 1.00 0.00 C ATOM 218 OG SER A 19 -6.723 10.683 -3.231 1.00 0.00 O ATOM 0 H SER A 19 -4.781 12.434 -3.012 1.00 0.00 H new ATOM 0 HA SER A 19 -4.994 11.067 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.714 9.641 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.208 11.318 -1.339 1.00 0.00 H new ATOM 0 HG SER A 19 -7.356 11.400 -3.445 1.00 0.00 H new ATOM 224 N TRP A 20 -3.602 9.146 -1.148 1.00 0.00 N ATOM 225 CA TRP A 20 -2.710 8.082 -1.565 1.00 0.00 C ATOM 226 C TRP A 20 -3.490 6.792 -1.752 1.00 0.00 C ATOM 227 O TRP A 20 -4.208 6.350 -0.854 1.00 0.00 O ATOM 228 CB TRP A 20 -1.577 7.900 -0.553 1.00 0.00 C ATOM 229 CG TRP A 20 -0.620 9.056 -0.524 1.00 0.00 C ATOM 230 CD1 TRP A 20 -0.234 9.815 -1.589 1.00 0.00 C ATOM 231 CD2 TRP A 20 0.085 9.569 0.613 1.00 0.00 C ATOM 232 NE1 TRP A 20 0.655 10.780 -1.185 1.00 0.00 N ATOM 233 CE2 TRP A 20 0.873 10.648 0.160 1.00 0.00 C ATOM 234 CE3 TRP A 20 0.127 9.228 1.969 1.00 0.00 C ATOM 235 CZ2 TRP A 20 1.690 11.384 1.016 1.00 0.00 C ATOM 236 CZ3 TRP A 20 0.942 9.957 2.815 1.00 0.00 C ATOM 237 CH2 TRP A 20 1.713 11.025 2.335 1.00 0.00 C ATOM 0 H TRP A 20 -3.813 9.159 -0.150 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.261 8.353 -2.520 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -2.004 7.765 0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.029 6.988 -0.791 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.578 9.677 -2.603 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.084 11.481 -1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.467 8.410 2.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.284 12.209 0.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.985 9.699 3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.338 11.576 3.022 1.00 0.00 H new ATOM 248 N TYR A 21 -3.350 6.204 -2.924 1.00 0.00 N ATOM 249 CA TYR A 21 -4.119 5.030 -3.296 1.00 0.00 C ATOM 250 C TYR A 21 -3.343 3.765 -2.971 1.00 0.00 C ATOM 251 O TYR A 21 -2.340 3.456 -3.614 1.00 0.00 O ATOM 252 CB TYR A 21 -4.454 5.079 -4.793 1.00 0.00 C ATOM 253 CG TYR A 21 -5.328 3.940 -5.268 1.00 0.00 C ATOM 254 CD1 TYR A 21 -6.705 3.982 -5.100 1.00 0.00 C ATOM 255 CD2 TYR A 21 -4.778 2.826 -5.890 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.510 2.946 -5.533 1.00 0.00 C ATOM 257 CE2 TYR A 21 -5.576 1.787 -6.328 1.00 0.00 C ATOM 258 CZ TYR A 21 -6.941 1.852 -6.147 1.00 0.00 C ATOM 259 OH TYR A 21 -7.742 0.819 -6.584 1.00 0.00 O ATOM 0 H TYR A 21 -2.702 6.524 -3.644 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.048 5.021 -2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.954 6.022 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.525 5.072 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.155 4.840 -4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.709 2.771 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.580 2.994 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.133 0.928 -6.810 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.186 0.125 -6.996 1.00 0.00 H new ATOM 269 N THR A 22 -3.794 3.051 -1.954 1.00 0.00 N ATOM 270 CA THR A 22 -3.172 1.801 -1.573 1.00 0.00 C ATOM 271 C THR A 22 -3.697 0.659 -2.438 1.00 0.00 C ATOM 272 O THR A 22 -4.840 0.224 -2.288 1.00 0.00 O ATOM 273 CB THR A 22 -3.440 1.492 -0.092 1.00 0.00 C ATOM 274 OG1 THR A 22 -3.230 2.676 0.693 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.522 0.386 0.399 1.00 0.00 C ATOM 0 H THR A 22 -4.592 3.319 -1.377 1.00 0.00 H new ATOM 0 HA THR A 22 -2.097 1.898 -1.725 1.00 0.00 H new ATOM 0 HB THR A 22 -4.473 1.160 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.554 2.525 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.728 0.182 1.450 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.695 -0.517 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.484 0.698 0.286 1.00 0.00 H new ATOM 283 N GLY A 23 -2.865 0.195 -3.353 1.00 0.00 N ATOM 284 CA GLY A 23 -3.257 -0.876 -4.238 1.00 0.00 C ATOM 285 C GLY A 23 -2.728 -2.214 -3.784 1.00 0.00 C ATOM 286 O GLY A 23 -1.526 -2.474 -3.863 1.00 0.00 O ATOM 0 H GLY A 23 -1.918 0.544 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.345 -0.918 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.893 -0.666 -5.244 1.00 0.00 H new ATOM 290 N TYR A 24 -3.623 -3.056 -3.296 1.00 0.00 N ATOM 291 CA TYR A 24 -3.260 -4.393 -2.854 1.00 0.00 C ATOM 292 C TYR A 24 -3.451 -5.378 -4.001 1.00 0.00 C ATOM 293 O TYR A 24 -4.572 -5.783 -4.314 1.00 0.00 O ATOM 294 CB TYR A 24 -4.103 -4.806 -1.640 1.00 0.00 C ATOM 295 CG TYR A 24 -3.714 -6.145 -1.044 1.00 0.00 C ATOM 296 CD1 TYR A 24 -2.617 -6.256 -0.196 1.00 0.00 C ATOM 297 CD2 TYR A 24 -4.444 -7.293 -1.327 1.00 0.00 C ATOM 298 CE1 TYR A 24 -2.261 -7.472 0.350 1.00 0.00 C ATOM 299 CE2 TYR A 24 -4.091 -8.514 -0.784 1.00 0.00 C ATOM 300 CZ TYR A 24 -3.001 -8.599 0.054 1.00 0.00 C ATOM 301 OH TYR A 24 -2.650 -9.811 0.604 1.00 0.00 O ATOM 0 H TYR A 24 -4.614 -2.836 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.212 -4.397 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.014 -4.038 -0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.152 -4.842 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.035 -5.377 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.301 -7.230 -1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.406 -7.542 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.667 -9.398 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.177 -10.349 -0.065 1.00 0.00 H new ATOM 311 N THR A 25 -2.357 -5.741 -4.644 1.00 0.00 N ATOM 312 CA THR A 25 -2.408 -6.608 -5.808 1.00 0.00 C ATOM 313 C THR A 25 -1.954 -8.021 -5.471 1.00 0.00 C ATOM 314 O THR A 25 -0.847 -8.235 -4.981 1.00 0.00 O ATOM 315 CB THR A 25 -1.532 -6.052 -6.948 1.00 0.00 C ATOM 316 OG1 THR A 25 -1.993 -4.751 -7.323 1.00 0.00 O ATOM 317 CG2 THR A 25 -1.556 -6.962 -8.165 1.00 0.00 C ATOM 0 H THR A 25 -1.417 -5.447 -4.379 1.00 0.00 H new ATOM 0 HA THR A 25 -3.447 -6.642 -6.135 1.00 0.00 H new ATOM 0 HB THR A 25 -0.507 -5.996 -6.582 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.486 -4.070 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.928 -6.538 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.179 -7.947 -7.890 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.579 -7.054 -8.530 1.00 0.00 H new ATOM 325 N THR A 26 -2.826 -8.980 -5.723 1.00 0.00 N ATOM 326 CA THR A 26 -2.468 -10.382 -5.623 1.00 0.00 C ATOM 327 C THR A 26 -2.759 -11.049 -6.962 1.00 0.00 C ATOM 328 O THR A 26 -3.693 -11.839 -7.099 1.00 0.00 O ATOM 329 CB THR A 26 -3.233 -11.089 -4.484 1.00 0.00 C ATOM 330 OG1 THR A 26 -3.063 -10.354 -3.260 1.00 0.00 O ATOM 331 CG2 THR A 26 -2.730 -12.514 -4.289 1.00 0.00 C ATOM 0 H THR A 26 -3.793 -8.811 -6.000 1.00 0.00 H new ATOM 0 HA THR A 26 -1.407 -10.463 -5.385 1.00 0.00 H new ATOM 0 HB THR A 26 -4.288 -11.127 -4.754 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.437 -10.831 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.286 -12.989 -3.481 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.874 -13.080 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.670 -12.494 -4.037 1.00 0.00 H new ATOM 339 N ASP A 27 -1.973 -10.677 -7.959 1.00 0.00 N ATOM 340 CA ASP A 27 -2.233 -11.085 -9.332 1.00 0.00 C ATOM 341 C ASP A 27 -0.977 -11.563 -10.027 1.00 0.00 C ATOM 342 O ASP A 27 -0.150 -10.754 -10.455 1.00 0.00 O ATOM 343 CB ASP A 27 -2.823 -9.925 -10.146 1.00 0.00 C ATOM 344 CG ASP A 27 -4.284 -9.668 -9.858 1.00 0.00 C ATOM 345 OD1 ASP A 27 -4.586 -8.978 -8.864 1.00 0.00 O ATOM 346 OD2 ASP A 27 -5.135 -10.125 -10.652 1.00 0.00 O ATOM 0 H ASP A 27 -1.146 -10.091 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.946 -11.908 -9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.255 -9.019 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.702 -10.139 -11.208 1.00 0.00 H new ATOM 351 N VAL A 28 -0.807 -12.873 -10.112 1.00 0.00 N ATOM 352 CA VAL A 28 0.155 -13.439 -11.046 1.00 0.00 C ATOM 353 C VAL A 28 -0.279 -13.065 -12.462 1.00 0.00 C ATOM 354 O VAL A 28 0.538 -12.899 -13.365 1.00 0.00 O ATOM 355 CB VAL A 28 0.273 -14.976 -10.900 1.00 0.00 C ATOM 356 CG1 VAL A 28 -1.059 -15.663 -11.165 1.00 0.00 C ATOM 357 CG2 VAL A 28 1.365 -15.525 -11.812 1.00 0.00 C ATOM 0 H VAL A 28 -1.316 -13.558 -9.553 1.00 0.00 H new ATOM 0 HA VAL A 28 1.142 -13.031 -10.829 1.00 0.00 H new ATOM 0 HB VAL A 28 0.553 -15.192 -9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.941 -16.741 -11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.802 -15.304 -10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.390 -15.437 -12.179 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.429 -16.606 -11.692 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.126 -15.288 -12.849 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.321 -15.073 -11.548 1.00 0.00 H new ATOM 367 N ASP A 29 -1.593 -12.891 -12.606 1.00 0.00 N ATOM 368 CA ASP A 29 -2.231 -12.494 -13.858 1.00 0.00 C ATOM 369 C ASP A 29 -1.655 -11.184 -14.388 1.00 0.00 C ATOM 370 O ASP A 29 -1.122 -11.128 -15.495 1.00 0.00 O ATOM 371 CB ASP A 29 -3.736 -12.343 -13.612 1.00 0.00 C ATOM 372 CG ASP A 29 -4.504 -11.886 -14.834 1.00 0.00 C ATOM 373 OD1 ASP A 29 -4.591 -10.661 -15.070 1.00 0.00 O ATOM 374 OD2 ASP A 29 -5.051 -12.749 -15.550 1.00 0.00 O ATOM 0 H ASP A 29 -2.254 -13.025 -11.841 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.043 -13.261 -14.609 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.139 -13.298 -13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.894 -11.628 -12.805 1.00 0.00 H new ATOM 379 N ARG A 30 -1.755 -10.135 -13.579 1.00 0.00 N ATOM 380 CA ARG A 30 -1.276 -8.810 -13.964 1.00 0.00 C ATOM 381 C ARG A 30 0.227 -8.845 -14.239 1.00 0.00 C ATOM 382 O ARG A 30 0.725 -8.194 -15.163 1.00 0.00 O ATOM 383 CB ARG A 30 -1.582 -7.800 -12.852 1.00 0.00 C ATOM 384 CG ARG A 30 -1.436 -6.349 -13.284 1.00 0.00 C ATOM 385 CD ARG A 30 -1.599 -5.387 -12.113 1.00 0.00 C ATOM 386 NE ARG A 30 -2.864 -5.576 -11.397 1.00 0.00 N ATOM 387 CZ ARG A 30 -3.915 -4.762 -11.510 1.00 0.00 C ATOM 388 NH1 ARG A 30 -3.891 -3.753 -12.369 1.00 0.00 N ATOM 389 NH2 ARG A 30 -4.995 -4.960 -10.762 1.00 0.00 N ATOM 0 H ARG A 30 -2.166 -10.176 -12.646 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.790 -8.504 -14.876 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.599 -7.963 -12.496 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.916 -7.988 -12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.457 -6.203 -13.740 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.180 -6.121 -14.047 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.770 -5.522 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.544 -4.362 -12.480 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.946 -6.379 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.066 -3.596 -12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.697 -3.134 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.022 -5.735 -10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.798 -4.337 -10.850 1.00 0.00 H new ATOM 403 N ARG A 31 0.936 -9.631 -13.437 1.00 0.00 N ATOM 404 CA ARG A 31 2.379 -9.756 -13.554 1.00 0.00 C ATOM 405 C ARG A 31 2.782 -10.407 -14.875 1.00 0.00 C ATOM 406 O ARG A 31 3.545 -9.826 -15.649 1.00 0.00 O ATOM 407 CB ARG A 31 2.937 -10.557 -12.369 1.00 0.00 C ATOM 408 CG ARG A 31 4.416 -10.898 -12.495 1.00 0.00 C ATOM 409 CD ARG A 31 5.274 -9.652 -12.633 1.00 0.00 C ATOM 410 NE ARG A 31 6.669 -9.986 -12.900 1.00 0.00 N ATOM 411 CZ ARG A 31 7.440 -9.331 -13.767 1.00 0.00 C ATOM 412 NH1 ARG A 31 6.948 -8.311 -14.462 1.00 0.00 N ATOM 413 NH2 ARG A 31 8.700 -9.700 -13.947 1.00 0.00 N ATOM 0 H ARG A 31 0.527 -10.195 -12.692 1.00 0.00 H new ATOM 0 HA ARG A 31 2.805 -8.753 -13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.783 -9.987 -11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.369 -11.482 -12.268 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.734 -11.463 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.568 -11.541 -13.362 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.887 -9.031 -13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.209 -9.062 -11.719 1.00 0.00 H new ATOM 0 HE ARG A 31 7.079 -10.769 -12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.977 -8.027 -14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.541 -7.812 -15.125 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.081 -10.487 -13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.289 -9.197 -14.611 1.00 0.00 H new ATOM 427 N ILE A 32 2.268 -11.609 -15.128 1.00 0.00 N ATOM 428 CA ILE A 32 2.645 -12.377 -16.312 1.00 0.00 C ATOM 429 C ILE A 32 2.279 -11.634 -17.602 1.00 0.00 C ATOM 430 O ILE A 32 3.021 -11.685 -18.584 1.00 0.00 O ATOM 431 CB ILE A 32 2.011 -13.794 -16.302 1.00 0.00 C ATOM 432 CG1 ILE A 32 2.605 -14.655 -17.418 1.00 0.00 C ATOM 433 CG2 ILE A 32 0.496 -13.727 -16.434 1.00 0.00 C ATOM 434 CD1 ILE A 32 2.086 -16.076 -17.434 1.00 0.00 C ATOM 0 H ILE A 32 1.587 -12.073 -14.527 1.00 0.00 H new ATOM 0 HA ILE A 32 3.728 -12.494 -16.283 1.00 0.00 H new ATOM 0 HB ILE A 32 2.243 -14.254 -15.341 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.389 -14.188 -18.379 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.690 -14.675 -17.311 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.085 -14.736 -16.423 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.083 -13.158 -15.601 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.234 -13.238 -17.372 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.552 -16.625 -18.252 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.326 -16.562 -16.488 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.005 -16.067 -17.573 1.00 0.00 H new ATOM 446 N LYS A 33 1.151 -10.926 -17.582 1.00 0.00 N ATOM 447 CA LYS A 33 0.701 -10.169 -18.744 1.00 0.00 C ATOM 448 C LYS A 33 1.706 -9.092 -19.140 1.00 0.00 C ATOM 449 O LYS A 33 2.228 -9.112 -20.256 1.00 0.00 O ATOM 450 CB LYS A 33 -0.679 -9.562 -18.494 1.00 0.00 C ATOM 451 CG LYS A 33 -1.795 -10.588 -18.587 1.00 0.00 C ATOM 452 CD LYS A 33 -3.132 -10.008 -18.167 1.00 0.00 C ATOM 453 CE LYS A 33 -4.238 -11.042 -18.284 1.00 0.00 C ATOM 454 NZ LYS A 33 -5.477 -10.613 -17.587 1.00 0.00 N ATOM 0 H LYS A 33 0.533 -10.862 -16.773 1.00 0.00 H new ATOM 0 HA LYS A 33 0.624 -10.865 -19.579 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.696 -9.101 -17.506 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.859 -8.768 -19.219 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.865 -10.957 -19.610 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.556 -11.443 -17.955 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.070 -9.652 -17.139 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.369 -9.145 -18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.458 -11.220 -19.337 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.895 -11.988 -17.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.124 -11.422 -17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.237 -10.258 -16.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.939 -9.858 -18.133 1.00 0.00 H new ATOM 468 N LYS A 34 1.986 -8.148 -18.238 1.00 0.00 N ATOM 469 CA LYS A 34 2.962 -7.101 -18.548 1.00 0.00 C ATOM 470 C LYS A 34 4.347 -7.708 -18.784 1.00 0.00 C ATOM 471 O LYS A 34 5.167 -7.145 -19.507 1.00 0.00 O ATOM 472 CB LYS A 34 3.037 -6.020 -17.458 1.00 0.00 C ATOM 473 CG LYS A 34 4.019 -4.907 -17.817 1.00 0.00 C ATOM 474 CD LYS A 34 4.056 -3.776 -16.797 1.00 0.00 C ATOM 475 CE LYS A 34 5.090 -2.733 -17.201 1.00 0.00 C ATOM 476 NZ LYS A 34 5.137 -1.569 -16.273 1.00 0.00 N ATOM 0 H LYS A 34 1.564 -8.086 -17.312 1.00 0.00 H new ATOM 0 HA LYS A 34 2.620 -6.615 -19.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.046 -5.592 -17.304 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.337 -6.477 -16.515 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.018 -5.332 -17.913 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.752 -4.498 -18.791 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.072 -3.313 -16.722 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.297 -4.174 -15.811 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.074 -3.201 -17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.867 -2.379 -18.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.858 -0.894 -16.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.208 -1.102 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.378 -1.897 -15.316 1.00 0.00 H new ATOM 490 N HIS A 35 4.604 -8.853 -18.165 1.00 0.00 N ATOM 491 CA HIS A 35 5.859 -9.562 -18.364 1.00 0.00 C ATOM 492 C HIS A 35 6.022 -9.927 -19.838 1.00 0.00 C ATOM 493 O HIS A 35 6.981 -9.517 -20.480 1.00 0.00 O ATOM 494 CB HIS A 35 5.907 -10.823 -17.486 1.00 0.00 C ATOM 495 CG HIS A 35 7.171 -11.622 -17.621 1.00 0.00 C ATOM 496 ND1 HIS A 35 7.207 -12.894 -18.153 1.00 0.00 N ATOM 497 CD2 HIS A 35 8.446 -11.328 -17.272 1.00 0.00 C ATOM 498 CE1 HIS A 35 8.448 -13.346 -18.117 1.00 0.00 C ATOM 499 NE2 HIS A 35 9.219 -12.416 -17.590 1.00 0.00 N ATOM 0 H HIS A 35 3.959 -9.310 -17.521 1.00 0.00 H new ATOM 0 HA HIS A 35 6.683 -8.911 -18.071 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.786 -10.530 -16.443 1.00 0.00 H new ATOM 0 HB3 HIS A 35 5.059 -11.460 -17.739 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.791 -10.407 -16.826 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.776 -14.316 -18.462 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.225 -12.493 -17.443 1.00 0.00 H new ATOM 508 N ALA A 36 5.086 -10.715 -20.350 1.00 0.00 N ATOM 509 CA ALA A 36 5.090 -11.115 -21.751 1.00 0.00 C ATOM 510 C ALA A 36 4.916 -9.927 -22.703 1.00 0.00 C ATOM 511 O ALA A 36 5.776 -9.651 -23.540 1.00 0.00 O ATOM 512 CB ALA A 36 4.002 -12.148 -22.003 1.00 0.00 C ATOM 0 H ALA A 36 4.307 -11.093 -19.810 1.00 0.00 H new ATOM 0 HA ALA A 36 6.068 -11.551 -21.956 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.014 -12.440 -23.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.181 -13.025 -21.381 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.030 -11.720 -21.756 1.00 0.00 H new ATOM 518 N SER A 37 3.797 -9.227 -22.556 1.00 0.00 N ATOM 519 CA SER A 37 3.355 -8.253 -23.549 1.00 0.00 C ATOM 520 C SER A 37 3.804 -6.825 -23.239 1.00 0.00 C ATOM 521 O SER A 37 4.079 -6.041 -24.149 1.00 0.00 O ATOM 522 CB SER A 37 1.830 -8.294 -23.619 1.00 0.00 C ATOM 523 OG SER A 37 1.365 -9.625 -23.789 1.00 0.00 O ATOM 0 H SER A 37 3.175 -9.317 -21.753 1.00 0.00 H new ATOM 0 HA SER A 37 3.812 -8.526 -24.500 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.409 -7.871 -22.707 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.483 -7.675 -24.447 1.00 0.00 H new ATOM 0 HG SER A 37 0.386 -9.627 -23.829 1.00 0.00 H new ATOM 529 N GLY A 38 3.879 -6.498 -21.957 1.00 0.00 N ATOM 530 CA GLY A 38 4.065 -5.116 -21.538 1.00 0.00 C ATOM 531 C GLY A 38 5.396 -4.518 -21.951 1.00 0.00 C ATOM 532 O GLY A 38 5.480 -3.313 -22.196 1.00 0.00 O ATOM 0 H GLY A 38 3.814 -7.168 -21.191 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.261 -4.510 -21.955 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.975 -5.061 -20.453 1.00 0.00 H new ATOM 536 N LYS A 39 6.430 -5.355 -22.023 1.00 0.00 N ATOM 537 CA LYS A 39 7.786 -4.902 -22.348 1.00 0.00 C ATOM 538 C LYS A 39 7.816 -4.063 -23.626 1.00 0.00 C ATOM 539 O LYS A 39 8.165 -2.880 -23.601 1.00 0.00 O ATOM 540 CB LYS A 39 8.720 -6.099 -22.520 1.00 0.00 C ATOM 541 CG LYS A 39 8.855 -6.973 -21.290 1.00 0.00 C ATOM 542 CD LYS A 39 9.709 -8.201 -21.585 1.00 0.00 C ATOM 543 CE LYS A 39 9.083 -9.060 -22.675 1.00 0.00 C ATOM 544 NZ LYS A 39 9.929 -10.229 -23.021 1.00 0.00 N ATOM 0 H LYS A 39 6.355 -6.359 -21.859 1.00 0.00 H new ATOM 0 HA LYS A 39 8.122 -4.281 -21.518 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.358 -6.710 -23.347 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.708 -5.735 -22.802 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.304 -6.399 -20.479 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.867 -7.285 -20.951 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.706 -7.888 -21.894 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.827 -8.791 -20.676 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.104 -9.407 -22.345 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.922 -8.453 -23.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.464 -10.785 -23.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.855 -9.899 -23.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.062 -10.823 -22.178 1.00 0.00 H new ATOM 558 N GLY A 40 7.445 -4.680 -24.738 1.00 0.00 N ATOM 559 CA GLY A 40 7.531 -4.008 -26.019 1.00 0.00 C ATOM 560 C GLY A 40 6.190 -3.506 -26.503 1.00 0.00 C ATOM 561 O GLY A 40 5.833 -3.691 -27.666 1.00 0.00 O ATOM 0 H GLY A 40 7.086 -5.634 -24.777 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.222 -3.169 -25.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.946 -4.694 -26.758 1.00 0.00 H new ATOM 565 N ALA A 41 5.438 -2.876 -25.617 1.00 0.00 N ATOM 566 CA ALA A 41 4.148 -2.318 -25.986 1.00 0.00 C ATOM 567 C ALA A 41 3.834 -1.087 -25.146 1.00 0.00 C ATOM 568 O ALA A 41 4.012 0.045 -25.606 1.00 0.00 O ATOM 569 CB ALA A 41 3.048 -3.361 -25.837 1.00 0.00 C ATOM 0 H ALA A 41 5.697 -2.738 -24.640 1.00 0.00 H new ATOM 0 HA ALA A 41 4.195 -2.016 -27.032 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.090 -2.923 -26.118 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.262 -4.211 -26.485 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.003 -3.697 -24.801 1.00 0.00 H new ATOM 575 N LYS A 42 3.397 -1.328 -23.907 1.00 0.00 N ATOM 576 CA LYS A 42 2.997 -0.260 -22.997 1.00 0.00 C ATOM 577 C LYS A 42 1.964 0.639 -23.676 1.00 0.00 C ATOM 578 O LYS A 42 2.261 1.764 -24.075 1.00 0.00 O ATOM 579 CB LYS A 42 4.230 0.527 -22.531 1.00 0.00 C ATOM 580 CG LYS A 42 3.951 1.574 -21.464 1.00 0.00 C ATOM 581 CD LYS A 42 5.217 1.931 -20.695 1.00 0.00 C ATOM 582 CE LYS A 42 6.334 2.390 -21.621 1.00 0.00 C ATOM 583 NZ LYS A 42 7.650 2.417 -20.926 1.00 0.00 N ATOM 0 H LYS A 42 3.312 -2.264 -23.511 1.00 0.00 H new ATOM 0 HA LYS A 42 2.531 -0.688 -22.110 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.969 -0.176 -22.146 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.678 1.019 -23.395 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.541 2.470 -21.929 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.196 1.200 -20.773 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.995 2.720 -19.976 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.552 1.065 -20.125 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.391 1.723 -22.481 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.104 3.385 -22.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.386 2.735 -21.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.604 3.073 -20.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.881 1.463 -20.583 1.00 0.00 H new ATOM 597 N TYR A 43 0.756 0.106 -23.838 1.00 0.00 N ATOM 598 CA TYR A 43 -0.299 0.790 -24.575 1.00 0.00 C ATOM 599 C TYR A 43 -0.828 1.970 -23.764 1.00 0.00 C ATOM 600 O TYR A 43 -1.064 3.050 -24.300 1.00 0.00 O ATOM 601 CB TYR A 43 -1.436 -0.190 -24.889 1.00 0.00 C ATOM 602 CG TYR A 43 -2.208 0.133 -26.153 1.00 0.00 C ATOM 603 CD1 TYR A 43 -1.789 -0.354 -27.386 1.00 0.00 C ATOM 604 CD2 TYR A 43 -3.358 0.913 -26.116 1.00 0.00 C ATOM 605 CE1 TYR A 43 -2.491 -0.072 -28.542 1.00 0.00 C ATOM 606 CE2 TYR A 43 -4.066 1.198 -27.270 1.00 0.00 C ATOM 607 CZ TYR A 43 -3.628 0.702 -28.480 1.00 0.00 C ATOM 608 OH TYR A 43 -4.330 0.982 -29.633 1.00 0.00 O ATOM 0 H TYR A 43 0.484 -0.804 -23.465 1.00 0.00 H new ATOM 0 HA TYR A 43 0.111 1.167 -25.512 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.020 -1.194 -24.978 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.129 -0.205 -24.048 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.899 -0.963 -27.441 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.705 1.303 -25.170 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.149 -0.457 -29.491 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.957 1.806 -27.223 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.107 1.539 -29.416 1.00 0.00 H new ATOM 618 N THR A 44 -0.993 1.750 -22.467 1.00 0.00 N ATOM 619 CA THR A 44 -1.453 2.795 -21.569 1.00 0.00 C ATOM 620 C THR A 44 -0.293 3.702 -21.163 1.00 0.00 C ATOM 621 O THR A 44 0.644 3.277 -20.478 1.00 0.00 O ATOM 622 CB THR A 44 -2.147 2.206 -20.315 1.00 0.00 C ATOM 623 OG1 THR A 44 -2.380 3.232 -19.338 1.00 0.00 O ATOM 624 CG2 THR A 44 -1.325 1.080 -19.695 1.00 0.00 C ATOM 0 H THR A 44 -0.814 0.854 -22.014 1.00 0.00 H new ATOM 0 HA THR A 44 -2.192 3.390 -22.106 1.00 0.00 H new ATOM 0 HB THR A 44 -3.103 1.792 -20.637 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.820 2.843 -18.554 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.843 0.692 -18.818 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.196 0.280 -20.424 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.348 1.463 -19.399 1.00 0.00 H new ATOM 632 N ARG A 45 -0.346 4.945 -21.623 1.00 0.00 N ATOM 633 CA ARG A 45 0.676 5.930 -21.305 1.00 0.00 C ATOM 634 C ARG A 45 0.025 7.219 -20.831 1.00 0.00 C ATOM 635 O ARG A 45 -0.075 8.194 -21.577 1.00 0.00 O ATOM 636 CB ARG A 45 1.567 6.197 -22.521 1.00 0.00 C ATOM 637 CG ARG A 45 2.189 4.937 -23.095 1.00 0.00 C ATOM 638 CD ARG A 45 2.992 5.216 -24.353 1.00 0.00 C ATOM 639 NE ARG A 45 3.463 3.975 -24.967 1.00 0.00 N ATOM 640 CZ ARG A 45 4.340 3.912 -25.963 1.00 0.00 C ATOM 641 NH1 ARG A 45 4.836 5.024 -26.492 1.00 0.00 N ATOM 642 NH2 ARG A 45 4.717 2.729 -26.439 1.00 0.00 N ATOM 0 H ARG A 45 -1.093 5.296 -22.222 1.00 0.00 H new ATOM 0 HA ARG A 45 1.303 5.536 -20.505 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.977 6.688 -23.295 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.360 6.889 -22.237 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.836 4.480 -22.347 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.403 4.216 -23.320 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.377 5.766 -25.065 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.844 5.851 -24.110 1.00 0.00 H new ATOM 0 HE ARG A 45 3.092 3.096 -24.605 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.544 5.933 -26.134 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.509 4.969 -27.256 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.333 1.873 -26.040 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.390 2.678 -27.204 1.00 0.00 H new ATOM 656 N GLY A 46 -0.454 7.201 -19.595 1.00 0.00 N ATOM 657 CA GLY A 46 -1.130 8.353 -19.044 1.00 0.00 C ATOM 658 C GLY A 46 -0.180 9.489 -18.732 1.00 0.00 C ATOM 659 O GLY A 46 -0.486 10.649 -19.011 1.00 0.00 O ATOM 0 H GLY A 46 -0.385 6.404 -18.963 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.885 8.699 -19.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.654 8.062 -18.134 1.00 0.00 H new ATOM 663 N ARG A 47 0.969 9.145 -18.145 1.00 0.00 N ATOM 664 CA ARG A 47 1.986 10.120 -17.746 1.00 0.00 C ATOM 665 C ARG A 47 1.451 10.974 -16.594 1.00 0.00 C ATOM 666 O ARG A 47 1.984 12.034 -16.271 1.00 0.00 O ATOM 667 CB ARG A 47 2.387 10.994 -18.944 1.00 0.00 C ATOM 668 CG ARG A 47 3.731 11.694 -18.799 1.00 0.00 C ATOM 669 CD ARG A 47 4.853 10.703 -18.530 1.00 0.00 C ATOM 670 NE ARG A 47 6.171 11.263 -18.827 1.00 0.00 N ATOM 671 CZ ARG A 47 7.144 11.424 -17.928 1.00 0.00 C ATOM 672 NH1 ARG A 47 6.923 11.176 -16.642 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.332 11.867 -18.317 1.00 0.00 N ATOM 0 H ARG A 47 1.221 8.180 -17.933 1.00 0.00 H new ATOM 0 HA ARG A 47 2.878 9.595 -17.405 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.412 10.372 -19.838 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.615 11.748 -19.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.950 12.254 -19.708 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.680 12.416 -17.984 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.819 10.394 -17.485 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.697 9.808 -19.132 1.00 0.00 H new ATOM 0 HE ARG A 47 6.359 11.550 -19.787 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.003 10.860 -16.334 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.673 11.302 -15.962 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.499 12.083 -19.300 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.079 11.992 -17.633 1.00 0.00 H new ATOM 687 N GLY A 48 0.398 10.466 -15.970 1.00 0.00 N ATOM 688 CA GLY A 48 -0.267 11.165 -14.891 1.00 0.00 C ATOM 689 C GLY A 48 -1.733 10.779 -14.821 1.00 0.00 C ATOM 690 O GLY A 48 -2.196 9.993 -15.646 1.00 0.00 O ATOM 0 H GLY A 48 -0.014 9.562 -16.199 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.221 10.931 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.176 12.241 -15.039 1.00 0.00 H new ATOM 694 N PRO A 49 -2.486 11.293 -13.834 1.00 0.00 N ATOM 695 CA PRO A 49 -1.954 12.157 -12.785 1.00 0.00 C ATOM 696 C PRO A 49 -1.472 11.365 -11.568 1.00 0.00 C ATOM 697 O PRO A 49 -1.081 11.941 -10.555 1.00 0.00 O ATOM 698 CB PRO A 49 -3.163 13.009 -12.427 1.00 0.00 C ATOM 699 CG PRO A 49 -4.336 12.104 -12.625 1.00 0.00 C ATOM 700 CD PRO A 49 -3.942 11.100 -13.685 1.00 0.00 C ATOM 0 HA PRO A 49 -1.082 12.725 -13.107 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.106 13.365 -11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.230 13.890 -13.066 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.597 11.600 -11.694 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.213 12.671 -12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.181 10.081 -13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.467 11.282 -14.623 1.00 0.00 H new ATOM 708 N PHE A 50 -1.507 10.045 -11.682 1.00 0.00 N ATOM 709 CA PHE A 50 -1.072 9.172 -10.603 1.00 0.00 C ATOM 710 C PHE A 50 0.445 9.079 -10.575 1.00 0.00 C ATOM 711 O PHE A 50 1.076 8.736 -11.577 1.00 0.00 O ATOM 712 CB PHE A 50 -1.681 7.774 -10.750 1.00 0.00 C ATOM 713 CG PHE A 50 -3.164 7.729 -10.512 1.00 0.00 C ATOM 714 CD1 PHE A 50 -4.058 7.995 -11.537 1.00 0.00 C ATOM 715 CD2 PHE A 50 -3.661 7.418 -9.257 1.00 0.00 C ATOM 716 CE1 PHE A 50 -5.419 7.951 -11.314 1.00 0.00 C ATOM 717 CE2 PHE A 50 -5.022 7.373 -9.027 1.00 0.00 C ATOM 718 CZ PHE A 50 -5.903 7.639 -10.057 1.00 0.00 C ATOM 0 H PHE A 50 -1.834 9.554 -12.514 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.418 9.601 -9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.472 7.401 -11.753 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.190 7.099 -10.050 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.685 8.239 -12.521 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.976 7.208 -8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.106 8.160 -12.121 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.397 7.130 -8.044 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.968 7.603 -9.881 1.00 0.00 H new ATOM 728 N ARG A 51 1.024 9.399 -9.434 1.00 0.00 N ATOM 729 CA ARG A 51 2.467 9.364 -9.278 1.00 0.00 C ATOM 730 C ARG A 51 2.852 8.342 -8.214 1.00 0.00 C ATOM 731 O ARG A 51 2.298 8.341 -7.117 1.00 0.00 O ATOM 732 CB ARG A 51 2.987 10.752 -8.903 1.00 0.00 C ATOM 733 CG ARG A 51 2.513 11.851 -9.845 1.00 0.00 C ATOM 734 CD ARG A 51 3.191 13.180 -9.557 1.00 0.00 C ATOM 735 NE ARG A 51 2.980 13.636 -8.181 1.00 0.00 N ATOM 736 CZ ARG A 51 3.295 14.858 -7.753 1.00 0.00 C ATOM 737 NH1 ARG A 51 3.730 15.777 -8.609 1.00 0.00 N ATOM 738 NH2 ARG A 51 3.139 15.175 -6.475 1.00 0.00 N ATOM 0 H ARG A 51 0.516 9.687 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 51 2.921 9.068 -10.224 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.666 10.990 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.077 10.734 -8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.714 11.557 -10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.433 11.967 -9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.261 13.086 -9.744 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.812 13.934 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 51 2.570 12.982 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.824 15.548 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.970 16.711 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.778 14.483 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.380 16.111 -6.148 1.00 0.00 H new ATOM 752 N LEU A 52 3.789 7.465 -8.550 1.00 0.00 N ATOM 753 CA LEU A 52 4.204 6.408 -7.635 1.00 0.00 C ATOM 754 C LEU A 52 4.973 6.976 -6.447 1.00 0.00 C ATOM 755 O LEU A 52 5.985 7.657 -6.612 1.00 0.00 O ATOM 756 CB LEU A 52 5.058 5.371 -8.369 1.00 0.00 C ATOM 757 CG LEU A 52 5.529 4.196 -7.516 1.00 0.00 C ATOM 758 CD1 LEU A 52 4.340 3.416 -6.976 1.00 0.00 C ATOM 759 CD2 LEU A 52 6.443 3.287 -8.321 1.00 0.00 C ATOM 0 H LEU A 52 4.275 7.464 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 52 3.305 5.922 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.485 4.982 -9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.933 5.872 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 52 6.093 4.589 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.696 2.583 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.723 4.072 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.748 3.033 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.769 2.455 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.903 2.902 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.313 3.851 -8.657 1.00 0.00 H new ATOM 771 N VAL A 53 4.473 6.697 -5.250 1.00 0.00 N ATOM 772 CA VAL A 53 5.149 7.101 -4.028 1.00 0.00 C ATOM 773 C VAL A 53 6.073 5.985 -3.559 1.00 0.00 C ATOM 774 O VAL A 53 7.290 6.153 -3.489 1.00 0.00 O ATOM 775 CB VAL A 53 4.143 7.443 -2.906 1.00 0.00 C ATOM 776 CG1 VAL A 53 4.863 7.951 -1.667 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.130 8.469 -3.384 1.00 0.00 C ATOM 0 H VAL A 53 3.600 6.191 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 53 5.728 7.998 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 53 3.612 6.528 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.133 8.185 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.546 7.183 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.427 8.850 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.432 8.694 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.648 9.381 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.582 8.069 -4.237 1.00 0.00 H new ATOM 787 N ALA A 54 5.487 4.830 -3.266 1.00 0.00 N ATOM 788 CA ALA A 54 6.249 3.677 -2.811 1.00 0.00 C ATOM 789 C ALA A 54 5.563 2.384 -3.223 1.00 0.00 C ATOM 790 O ALA A 54 4.410 2.391 -3.663 1.00 0.00 O ATOM 791 CB ALA A 54 6.432 3.718 -1.300 1.00 0.00 C ATOM 0 H ALA A 54 4.482 4.669 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 54 7.232 3.713 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.004 2.848 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.967 4.626 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.456 3.710 -0.815 1.00 0.00 H new ATOM 797 N THR A 55 6.279 1.280 -3.090 1.00 0.00 N ATOM 798 CA THR A 55 5.747 -0.033 -3.418 1.00 0.00 C ATOM 799 C THR A 55 6.408 -1.097 -2.551 1.00 0.00 C ATOM 800 O THR A 55 7.633 -1.134 -2.428 1.00 0.00 O ATOM 801 CB THR A 55 5.975 -0.373 -4.905 1.00 0.00 C ATOM 802 OG1 THR A 55 5.441 0.669 -5.726 1.00 0.00 O ATOM 803 CG2 THR A 55 5.313 -1.691 -5.276 1.00 0.00 C ATOM 0 H THR A 55 7.242 1.268 -2.753 1.00 0.00 H new ATOM 0 HA THR A 55 4.674 -0.015 -3.226 1.00 0.00 H new ATOM 0 HB THR A 55 7.049 -0.466 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.462 0.653 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.491 -1.904 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.733 -2.493 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.240 -1.623 -5.096 1.00 0.00 H new ATOM 811 N TRP A 56 5.593 -1.939 -1.939 1.00 0.00 N ATOM 812 CA TRP A 56 6.092 -3.014 -1.099 1.00 0.00 C ATOM 813 C TRP A 56 5.663 -4.360 -1.671 1.00 0.00 C ATOM 814 O TRP A 56 4.683 -4.439 -2.413 1.00 0.00 O ATOM 815 CB TRP A 56 5.566 -2.863 0.330 1.00 0.00 C ATOM 816 CG TRP A 56 5.915 -1.551 0.968 1.00 0.00 C ATOM 817 CD1 TRP A 56 7.049 -1.258 1.670 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.123 -0.357 0.969 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.009 0.045 2.103 1.00 0.00 N ATOM 820 CE2 TRP A 56 5.840 0.619 1.683 1.00 0.00 C ATOM 821 CE3 TRP A 56 3.881 -0.015 0.427 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.354 1.910 1.876 1.00 0.00 C ATOM 823 CZ3 TRP A 56 3.399 1.266 0.619 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.138 2.215 1.336 1.00 0.00 C ATOM 0 H TRP A 56 4.576 -1.898 -2.009 1.00 0.00 H new ATOM 0 HA TRP A 56 7.181 -2.964 -1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.482 -2.975 0.322 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.966 -3.672 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.858 -1.949 1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.734 0.510 2.650 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.308 -0.739 -0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.919 2.643 2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.438 1.539 0.210 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.737 3.210 1.465 1.00 0.00 H new ATOM 835 N ALA A 57 6.393 -5.412 -1.328 1.00 0.00 N ATOM 836 CA ALA A 57 6.075 -6.752 -1.808 1.00 0.00 C ATOM 837 C ALA A 57 6.228 -7.764 -0.682 1.00 0.00 C ATOM 838 O ALA A 57 7.230 -7.753 0.037 1.00 0.00 O ATOM 839 CB ALA A 57 6.968 -7.126 -2.984 1.00 0.00 C ATOM 0 H ALA A 57 7.210 -5.365 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 57 5.039 -6.761 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.716 -8.129 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.817 -6.415 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.012 -7.102 -2.670 1.00 0.00 H new ATOM 845 N PHE A 58 5.229 -8.625 -0.523 1.00 0.00 N ATOM 846 CA PHE A 58 5.252 -9.641 0.520 1.00 0.00 C ATOM 847 C PHE A 58 4.846 -10.992 -0.053 1.00 0.00 C ATOM 848 O PHE A 58 3.784 -11.124 -0.661 1.00 0.00 O ATOM 849 CB PHE A 58 4.300 -9.280 1.665 1.00 0.00 C ATOM 850 CG PHE A 58 4.498 -7.896 2.212 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.462 -7.645 3.174 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.715 -6.845 1.764 1.00 0.00 C ATOM 853 CE1 PHE A 58 5.641 -6.371 3.679 1.00 0.00 C ATOM 854 CE2 PHE A 58 3.889 -5.572 2.264 1.00 0.00 C ATOM 855 CZ PHE A 58 4.853 -5.333 3.223 1.00 0.00 C ATOM 0 H PHE A 58 4.392 -8.639 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 58 6.269 -9.693 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.273 -9.377 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.430 -10.001 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.081 -8.454 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.959 -7.025 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.396 -6.188 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.271 -4.762 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.990 -4.336 3.616 1.00 0.00 H new ATOM 865 N PRO A 59 5.690 -12.014 0.122 1.00 0.00 N ATOM 866 CA PRO A 59 5.385 -13.374 -0.313 1.00 0.00 C ATOM 867 C PRO A 59 4.440 -14.076 0.659 1.00 0.00 C ATOM 868 O PRO A 59 3.900 -15.142 0.363 1.00 0.00 O ATOM 869 CB PRO A 59 6.756 -14.075 -0.326 1.00 0.00 C ATOM 870 CG PRO A 59 7.768 -13.027 0.024 1.00 0.00 C ATOM 871 CD PRO A 59 7.022 -11.933 0.734 1.00 0.00 C ATOM 0 HA PRO A 59 4.883 -13.391 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.780 -14.894 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.964 -14.504 -1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.550 -13.440 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.256 -12.645 -0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.985 -12.098 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.483 -10.958 0.577 1.00 0.00 H new ATOM 879 N SER A 60 4.240 -13.466 1.820 1.00 0.00 N ATOM 880 CA SER A 60 3.431 -14.064 2.867 1.00 0.00 C ATOM 881 C SER A 60 1.993 -13.558 2.791 1.00 0.00 C ATOM 882 O SER A 60 1.735 -12.357 2.916 1.00 0.00 O ATOM 883 CB SER A 60 4.038 -13.735 4.229 1.00 0.00 C ATOM 884 OG SER A 60 5.366 -13.246 4.092 1.00 0.00 O ATOM 0 H SER A 60 4.630 -12.554 2.058 1.00 0.00 H new ATOM 0 HA SER A 60 3.417 -15.145 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.423 -12.990 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.038 -14.627 4.856 1.00 0.00 H new ATOM 0 HG SER A 60 5.467 -12.424 4.615 1.00 0.00 H new ATOM 890 N LYS A 61 1.063 -14.479 2.573 1.00 0.00 N ATOM 891 CA LYS A 61 -0.353 -14.146 2.481 1.00 0.00 C ATOM 892 C LYS A 61 -0.846 -13.509 3.777 1.00 0.00 C ATOM 893 O LYS A 61 -1.479 -12.451 3.760 1.00 0.00 O ATOM 894 CB LYS A 61 -1.162 -15.409 2.167 1.00 0.00 C ATOM 895 CG LYS A 61 -2.669 -15.219 2.239 1.00 0.00 C ATOM 896 CD LYS A 61 -3.399 -16.511 1.902 1.00 0.00 C ATOM 897 CE LYS A 61 -4.896 -16.387 2.132 1.00 0.00 C ATOM 898 NZ LYS A 61 -5.230 -16.261 3.575 1.00 0.00 N ATOM 0 H LYS A 61 1.267 -15.472 2.456 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.490 -13.424 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.898 -15.757 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.873 -16.195 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.950 -14.889 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.974 -14.434 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.211 -16.774 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.003 -17.323 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.274 -15.517 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.400 -17.261 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.252 -16.400 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.709 -16.981 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.962 -15.314 3.912 1.00 0.00 H new ATOM 912 N GLU A 62 -0.520 -14.144 4.895 1.00 0.00 N ATOM 913 CA GLU A 62 -0.980 -13.699 6.204 1.00 0.00 C ATOM 914 C GLU A 62 -0.386 -12.339 6.554 1.00 0.00 C ATOM 915 O GLU A 62 -1.087 -11.447 7.038 1.00 0.00 O ATOM 916 CB GLU A 62 -0.596 -14.730 7.264 1.00 0.00 C ATOM 917 CG GLU A 62 -1.126 -14.419 8.651 1.00 0.00 C ATOM 918 CD GLU A 62 -0.676 -15.440 9.669 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.332 -16.490 9.793 1.00 0.00 O ATOM 920 OE2 GLU A 62 0.340 -15.192 10.351 1.00 0.00 O ATOM 0 H GLU A 62 0.067 -14.977 4.921 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.065 -13.599 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.967 -15.708 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.491 -14.801 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.787 -13.429 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.215 -14.388 8.625 1.00 0.00 H new ATOM 927 N GLU A 63 0.903 -12.182 6.281 1.00 0.00 N ATOM 928 CA GLU A 63 1.612 -10.950 6.592 1.00 0.00 C ATOM 929 C GLU A 63 1.021 -9.783 5.810 1.00 0.00 C ATOM 930 O GLU A 63 0.693 -8.743 6.379 1.00 0.00 O ATOM 931 CB GLU A 63 3.095 -11.111 6.265 1.00 0.00 C ATOM 932 CG GLU A 63 3.953 -9.922 6.661 1.00 0.00 C ATOM 933 CD GLU A 63 5.412 -10.113 6.297 1.00 0.00 C ATOM 934 OE1 GLU A 63 5.775 -11.219 5.834 1.00 0.00 O ATOM 935 OE2 GLU A 63 6.200 -9.160 6.475 1.00 0.00 O ATOM 0 H GLU A 63 1.481 -12.899 5.842 1.00 0.00 H new ATOM 0 HA GLU A 63 1.503 -10.739 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.472 -12.001 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.203 -11.282 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.574 -9.025 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.868 -9.758 7.735 1.00 0.00 H new ATOM 942 N ALA A 64 0.855 -9.982 4.505 1.00 0.00 N ATOM 943 CA ALA A 64 0.347 -8.939 3.622 1.00 0.00 C ATOM 944 C ALA A 64 -1.095 -8.575 3.964 1.00 0.00 C ATOM 945 O ALA A 64 -1.501 -7.424 3.820 1.00 0.00 O ATOM 946 CB ALA A 64 0.453 -9.380 2.172 1.00 0.00 C ATOM 0 H ALA A 64 1.067 -10.862 4.035 1.00 0.00 H new ATOM 0 HA ALA A 64 0.959 -8.048 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.070 -8.592 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.497 -9.577 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.132 -10.288 2.024 1.00 0.00 H new ATOM 952 N MET A 65 -1.862 -9.563 4.418 1.00 0.00 N ATOM 953 CA MET A 65 -3.260 -9.339 4.785 1.00 0.00 C ATOM 954 C MET A 65 -3.356 -8.477 6.041 1.00 0.00 C ATOM 955 O MET A 65 -4.155 -7.540 6.103 1.00 0.00 O ATOM 956 CB MET A 65 -3.985 -10.675 4.987 1.00 0.00 C ATOM 957 CG MET A 65 -5.441 -10.529 5.407 1.00 0.00 C ATOM 958 SD MET A 65 -6.320 -12.103 5.414 1.00 0.00 S ATOM 959 CE MET A 65 -6.381 -12.447 3.658 1.00 0.00 C ATOM 0 H MET A 65 -1.542 -10.524 4.541 1.00 0.00 H new ATOM 0 HA MET A 65 -3.747 -8.806 3.969 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.940 -11.246 4.059 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.455 -11.254 5.743 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.486 -10.087 6.402 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.944 -9.839 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.195 -13.142 3.451 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.548 -11.519 3.111 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.437 -12.890 3.341 1.00 0.00 H new ATOM 969 N ARG A 66 -2.535 -8.789 7.038 1.00 0.00 N ATOM 970 CA ARG A 66 -2.489 -8.003 8.269 1.00 0.00 C ATOM 971 C ARG A 66 -1.942 -6.609 7.977 1.00 0.00 C ATOM 972 O ARG A 66 -2.393 -5.613 8.546 1.00 0.00 O ATOM 973 CB ARG A 66 -1.611 -8.692 9.311 1.00 0.00 C ATOM 974 CG ARG A 66 -2.113 -10.068 9.723 1.00 0.00 C ATOM 975 CD ARG A 66 -1.132 -10.768 10.651 1.00 0.00 C ATOM 976 NE ARG A 66 -0.917 -10.022 11.892 1.00 0.00 N ATOM 977 CZ ARG A 66 0.016 -10.328 12.796 1.00 0.00 C ATOM 978 NH1 ARG A 66 0.847 -11.342 12.584 1.00 0.00 N ATOM 979 NH2 ARG A 66 0.131 -9.606 13.902 1.00 0.00 N ATOM 0 H ARG A 66 -1.892 -9.580 7.019 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.502 -7.918 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.600 -8.788 8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.548 -8.058 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.078 -9.970 10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.273 -10.679 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.506 -11.764 10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.179 -10.899 10.138 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.517 -9.219 12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.774 -11.891 11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.558 -11.572 13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.494 -8.816 14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.844 -9.841 14.592 1.00 0.00 H new ATOM 993 N TRP A 67 -0.967 -6.569 7.080 1.00 0.00 N ATOM 994 CA TRP A 67 -0.331 -5.331 6.646 1.00 0.00 C ATOM 995 C TRP A 67 -1.348 -4.367 6.018 1.00 0.00 C ATOM 996 O TRP A 67 -1.517 -3.244 6.485 1.00 0.00 O ATOM 997 CB TRP A 67 0.794 -5.684 5.656 1.00 0.00 C ATOM 998 CG TRP A 67 0.925 -4.745 4.506 1.00 0.00 C ATOM 999 CD1 TRP A 67 0.419 -4.916 3.258 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.608 -3.498 4.494 1.00 0.00 C ATOM 1001 NE1 TRP A 67 0.730 -3.842 2.481 1.00 0.00 N ATOM 1002 CE2 TRP A 67 1.468 -2.965 3.207 1.00 0.00 C ATOM 1003 CE3 TRP A 67 2.320 -2.787 5.447 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 2.018 -1.750 2.841 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 2.873 -1.571 5.088 1.00 0.00 C ATOM 1006 CH2 TRP A 67 2.715 -1.067 3.786 1.00 0.00 C ATOM 0 H TRP A 67 -0.591 -7.402 6.628 1.00 0.00 H new ATOM 0 HA TRP A 67 0.090 -4.815 7.509 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.740 -5.711 6.196 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.619 -6.688 5.270 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.146 -5.776 2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.452 -3.717 1.508 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.440 -3.174 6.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.898 -1.359 1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.432 -1.003 5.816 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.158 -0.115 3.531 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.991 -4.818 4.950 1.00 0.00 N ATOM 1018 CA GLU A 68 -3.020 -4.049 4.244 1.00 0.00 C ATOM 1019 C GLU A 68 -4.047 -3.474 5.210 1.00 0.00 C ATOM 1020 O GLU A 68 -4.394 -2.292 5.150 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.726 -4.952 3.235 1.00 0.00 C ATOM 1022 CG GLU A 68 -4.880 -4.276 2.508 1.00 0.00 C ATOM 1023 CD GLU A 68 -5.988 -5.242 2.124 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -6.217 -6.219 2.868 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -6.662 -5.003 1.101 1.00 0.00 O ATOM 0 H GLU A 68 -1.815 -5.736 4.541 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.532 -3.220 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.999 -5.298 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.102 -5.835 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.293 -3.492 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.501 -3.791 1.609 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.537 -4.335 6.084 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.508 -3.942 7.103 1.00 0.00 C ATOM 1034 C TYR A 69 -4.978 -2.776 7.943 1.00 0.00 C ATOM 1035 O TYR A 69 -5.705 -1.818 8.232 1.00 0.00 O ATOM 1036 CB TYR A 69 -5.847 -5.135 7.998 1.00 0.00 C ATOM 1037 CG TYR A 69 -6.981 -4.868 8.960 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.281 -4.706 8.499 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -6.753 -4.775 10.327 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.325 -4.463 9.370 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -7.790 -4.533 11.207 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.074 -4.377 10.724 1.00 0.00 C ATOM 1043 OH TYR A 69 -10.108 -4.124 11.597 1.00 0.00 O ATOM 0 H TYR A 69 -4.278 -5.321 6.112 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.417 -3.611 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.108 -5.987 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.960 -5.417 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.479 -4.771 7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.749 -4.894 10.708 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.330 -4.341 8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.597 -4.466 12.268 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.033 -3.208 11.936 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.706 -2.851 8.314 1.00 0.00 N ATOM 1054 CA GLU A 70 -3.063 -1.783 9.072 1.00 0.00 C ATOM 1055 C GLU A 70 -3.054 -0.490 8.264 1.00 0.00 C ATOM 1056 O GLU A 70 -3.305 0.579 8.808 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.627 -2.163 9.452 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.379 -2.236 10.952 1.00 0.00 C ATOM 1059 CD GLU A 70 -1.485 -0.888 11.642 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -0.542 -0.074 11.519 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -2.496 -0.643 12.333 1.00 0.00 O ATOM 0 H GLU A 70 -3.097 -3.642 8.102 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.636 -1.633 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.389 -3.130 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.943 -1.435 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.097 -2.923 11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.387 -2.651 11.130 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.794 -0.597 6.958 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.752 0.574 6.081 1.00 0.00 C ATOM 1070 C VAL A 71 -4.087 1.314 6.088 1.00 0.00 C ATOM 1071 O VAL A 71 -4.136 2.543 6.023 1.00 0.00 O ATOM 1072 CB VAL A 71 -2.387 0.199 4.632 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -2.228 1.445 3.780 1.00 0.00 C ATOM 1074 CG2 VAL A 71 -1.117 -0.630 4.597 1.00 0.00 C ATOM 0 H VAL A 71 -2.610 -1.482 6.486 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.973 1.227 6.475 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.201 -0.399 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.970 1.158 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.164 2.004 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.435 2.069 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.877 -0.884 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.297 -0.057 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.264 -1.545 5.171 1.00 0.00 H new ATOM 1084 N LYS A 72 -5.166 0.554 6.179 1.00 0.00 N ATOM 1085 CA LYS A 72 -6.502 1.126 6.241 1.00 0.00 C ATOM 1086 C LYS A 72 -6.723 1.821 7.585 1.00 0.00 C ATOM 1087 O LYS A 72 -7.506 2.767 7.688 1.00 0.00 O ATOM 1088 CB LYS A 72 -7.538 0.025 6.021 1.00 0.00 C ATOM 1089 CG LYS A 72 -7.393 -0.654 4.668 1.00 0.00 C ATOM 1090 CD LYS A 72 -8.225 -1.925 4.562 1.00 0.00 C ATOM 1091 CE LYS A 72 -8.015 -2.595 3.214 1.00 0.00 C ATOM 1092 NZ LYS A 72 -8.666 -3.928 3.134 1.00 0.00 N ATOM 0 H LYS A 72 -5.143 -0.465 6.212 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.611 1.874 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.442 -0.721 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.538 0.451 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.693 0.040 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.344 -0.895 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.951 -2.613 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.280 -1.687 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.411 -1.953 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.946 -2.704 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.451 -4.365 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.308 -4.536 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.695 -3.818 3.233 1.00 0.00 H new ATOM 1106 N HIS A 73 -6.022 1.346 8.608 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.098 1.943 9.944 1.00 0.00 C ATOM 1108 C HIS A 73 -5.211 3.179 10.063 1.00 0.00 C ATOM 1109 O HIS A 73 -5.526 4.104 10.813 1.00 0.00 O ATOM 1110 CB HIS A 73 -5.680 0.929 11.012 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.754 -0.036 11.394 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -6.797 -0.653 12.624 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -7.836 -0.473 10.715 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -7.860 -1.427 12.687 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -8.512 -1.338 11.542 1.00 0.00 N ATOM 0 H HIS A 73 -5.392 0.547 8.541 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.135 2.240 10.100 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.818 0.370 10.649 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.358 1.468 11.903 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.112 -0.530 13.370 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.118 -0.195 9.710 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.150 -2.033 13.533 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.107 3.178 9.320 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.082 4.217 9.421 1.00 0.00 C ATOM 1126 C LEU A 74 -3.672 5.619 9.354 1.00 0.00 C ATOM 1127 O LEU A 74 -4.385 5.958 8.411 1.00 0.00 O ATOM 1128 CB LEU A 74 -2.052 4.072 8.303 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.376 2.708 8.183 1.00 0.00 C ATOM 1130 CD1 LEU A 74 -0.403 2.714 7.025 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -0.666 2.320 9.467 1.00 0.00 C ATOM 0 H LEU A 74 -3.896 2.457 8.630 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.606 4.084 10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.541 4.297 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.279 4.826 8.449 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.151 1.964 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.075 1.738 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.939 2.931 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.357 3.477 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.197 1.344 9.343 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.098 3.062 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.388 2.275 10.283 1.00 0.00 H new ATOM 1143 N SER A 75 -3.381 6.420 10.367 1.00 0.00 N ATOM 1144 CA SER A 75 -3.725 7.831 10.338 1.00 0.00 C ATOM 1145 C SER A 75 -2.755 8.581 9.421 1.00 0.00 C ATOM 1146 O SER A 75 -1.902 7.963 8.775 1.00 0.00 O ATOM 1147 CB SER A 75 -3.691 8.404 11.755 1.00 0.00 C ATOM 1148 OG SER A 75 -4.590 7.709 12.604 1.00 0.00 O ATOM 0 H SER A 75 -2.908 6.117 11.218 1.00 0.00 H new ATOM 0 HA SER A 75 -4.734 7.952 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.680 8.335 12.155 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.952 9.462 11.730 1.00 0.00 H new ATOM 0 HG SER A 75 -4.550 8.091 13.506 1.00 0.00 H new ATOM 1154 N ARG A 76 -2.872 9.907 9.377 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.056 10.727 8.482 1.00 0.00 C ATOM 1156 C ARG A 76 -0.565 10.481 8.707 1.00 0.00 C ATOM 1157 O ARG A 76 0.188 10.278 7.752 1.00 0.00 O ATOM 1158 CB ARG A 76 -2.358 12.212 8.690 1.00 0.00 C ATOM 1159 CG ARG A 76 -3.824 12.573 8.526 1.00 0.00 C ATOM 1160 CD ARG A 76 -4.042 14.061 8.728 1.00 0.00 C ATOM 1161 NE ARG A 76 -5.458 14.419 8.762 1.00 0.00 N ATOM 1162 CZ ARG A 76 -5.924 15.628 8.453 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -5.102 16.574 8.015 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -7.218 15.895 8.570 1.00 0.00 N ATOM 0 H ARG A 76 -3.526 10.438 9.952 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.308 10.443 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.033 12.502 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.769 12.795 7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.165 12.283 7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.423 12.013 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.570 14.371 9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.551 14.609 7.924 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.129 13.702 9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.106 16.377 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.466 17.497 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.860 15.173 8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.571 16.822 8.332 1.00 0.00 H new ATOM 1178 N ARG A 77 -0.148 10.479 9.972 1.00 0.00 N ATOM 1179 CA ARG A 77 1.265 10.338 10.310 1.00 0.00 C ATOM 1180 C ARG A 77 1.791 8.959 9.934 1.00 0.00 C ATOM 1181 O ARG A 77 2.918 8.831 9.466 1.00 0.00 O ATOM 1182 CB ARG A 77 1.505 10.593 11.801 1.00 0.00 C ATOM 1183 CG ARG A 77 2.979 10.594 12.167 1.00 0.00 C ATOM 1184 CD ARG A 77 3.193 10.861 13.646 1.00 0.00 C ATOM 1185 NE ARG A 77 2.648 9.802 14.491 1.00 0.00 N ATOM 1186 CZ ARG A 77 3.341 9.190 15.451 1.00 0.00 C ATOM 1187 NH1 ARG A 77 4.640 9.428 15.596 1.00 0.00 N ATOM 1188 NH2 ARG A 77 2.742 8.316 16.248 1.00 0.00 N ATOM 0 H ARG A 77 -0.767 10.573 10.777 1.00 0.00 H new ATOM 0 HA ARG A 77 1.808 11.087 9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.066 11.552 12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.991 9.828 12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.419 9.632 11.904 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.498 11.353 11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.260 10.965 13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.726 11.810 13.912 1.00 0.00 H new ATOM 0 HE ARG A 77 1.682 9.514 14.338 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.112 10.082 14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.166 8.957 16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.750 8.112 16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.273 7.848 16.982 1.00 0.00 H new ATOM 1202 N LYS A 78 0.975 7.935 10.128 1.00 0.00 N ATOM 1203 CA LYS A 78 1.371 6.571 9.797 1.00 0.00 C ATOM 1204 C LYS A 78 1.580 6.412 8.294 1.00 0.00 C ATOM 1205 O LYS A 78 2.538 5.777 7.855 1.00 0.00 O ATOM 1206 CB LYS A 78 0.323 5.581 10.292 1.00 0.00 C ATOM 1207 CG LYS A 78 0.718 4.849 11.566 1.00 0.00 C ATOM 1208 CD LYS A 78 -0.494 4.215 12.233 1.00 0.00 C ATOM 1209 CE LYS A 78 -0.112 3.281 13.374 1.00 0.00 C ATOM 1210 NZ LYS A 78 0.531 2.026 12.891 1.00 0.00 N ATOM 0 H LYS A 78 0.034 8.020 10.513 1.00 0.00 H new ATOM 0 HA LYS A 78 2.317 6.362 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.612 6.114 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.131 4.848 9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.453 4.079 11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.194 5.545 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.147 5.000 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.065 3.659 11.489 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.569 3.798 14.050 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.004 3.031 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.787 1.432 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.133 1.509 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.388 2.261 12.350 1.00 0.00 H new ATOM 1224 N LYS A 79 0.686 6.999 7.508 1.00 0.00 N ATOM 1225 CA LYS A 79 0.823 6.980 6.057 1.00 0.00 C ATOM 1226 C LYS A 79 2.075 7.745 5.641 1.00 0.00 C ATOM 1227 O LYS A 79 2.808 7.326 4.747 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.416 7.586 5.391 1.00 0.00 C ATOM 1229 CG LYS A 79 -1.702 6.824 5.677 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.910 7.492 5.033 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.200 6.769 5.388 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.393 7.432 4.799 1.00 0.00 N ATOM 0 H LYS A 79 -0.139 7.492 7.849 1.00 0.00 H new ATOM 0 HA LYS A 79 0.916 5.945 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.532 8.616 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.257 7.621 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.610 5.803 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.854 6.759 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.971 8.530 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.785 7.506 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.147 5.739 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.306 6.729 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.250 6.906 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.460 8.407 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.305 7.447 3.763 1.00 0.00 H new ATOM 1246 N GLU A 80 2.320 8.858 6.321 1.00 0.00 N ATOM 1247 CA GLU A 80 3.502 9.673 6.079 1.00 0.00 C ATOM 1248 C GLU A 80 4.764 8.911 6.484 1.00 0.00 C ATOM 1249 O GLU A 80 5.793 8.975 5.807 1.00 0.00 O ATOM 1250 CB GLU A 80 3.372 10.980 6.864 1.00 0.00 C ATOM 1251 CG GLU A 80 4.462 11.999 6.587 1.00 0.00 C ATOM 1252 CD GLU A 80 4.164 13.336 7.233 1.00 0.00 C ATOM 1253 OE1 GLU A 80 3.480 14.168 6.598 1.00 0.00 O ATOM 1254 OE2 GLU A 80 4.598 13.564 8.381 1.00 0.00 O ATOM 0 H GLU A 80 1.708 9.219 7.052 1.00 0.00 H new ATOM 0 HA GLU A 80 3.582 9.903 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.406 11.430 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.372 10.749 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.415 11.621 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.569 12.132 5.510 1.00 0.00 H new ATOM 1261 N GLN A 81 4.666 8.172 7.587 1.00 0.00 N ATOM 1262 CA GLN A 81 5.751 7.324 8.071 1.00 0.00 C ATOM 1263 C GLN A 81 6.103 6.258 7.040 1.00 0.00 C ATOM 1264 O GLN A 81 7.269 5.909 6.866 1.00 0.00 O ATOM 1265 CB GLN A 81 5.349 6.666 9.399 1.00 0.00 C ATOM 1266 CG GLN A 81 6.370 5.677 9.947 1.00 0.00 C ATOM 1267 CD GLN A 81 7.701 6.319 10.282 1.00 0.00 C ATOM 1268 OE1 GLN A 81 7.910 6.796 11.396 1.00 0.00 O ATOM 1269 NE2 GLN A 81 8.612 6.326 9.322 1.00 0.00 N ATOM 0 H GLN A 81 3.830 8.145 8.171 1.00 0.00 H new ATOM 0 HA GLN A 81 6.631 7.946 8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.183 7.447 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.399 6.150 9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.965 5.206 10.843 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.529 4.886 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.397 5.919 8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.529 6.738 9.492 1.00 0.00 H new ATOM 1278 N LEU A 82 5.089 5.750 6.354 1.00 0.00 N ATOM 1279 CA LEU A 82 5.298 4.752 5.316 1.00 0.00 C ATOM 1280 C LEU A 82 5.993 5.355 4.100 1.00 0.00 C ATOM 1281 O LEU A 82 6.768 4.683 3.425 1.00 0.00 O ATOM 1282 CB LEU A 82 3.976 4.097 4.916 1.00 0.00 C ATOM 1283 CG LEU A 82 3.539 2.937 5.809 1.00 0.00 C ATOM 1284 CD1 LEU A 82 2.284 2.296 5.263 1.00 0.00 C ATOM 1285 CD2 LEU A 82 4.645 1.901 5.941 1.00 0.00 C ATOM 0 H LEU A 82 4.114 6.013 6.498 1.00 0.00 H new ATOM 0 HA LEU A 82 5.951 3.981 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.194 4.856 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.061 3.736 3.891 1.00 0.00 H new ATOM 0 HG LEU A 82 3.328 3.336 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.985 1.471 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.484 3.036 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.476 1.918 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.306 1.087 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.894 1.507 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.528 2.365 6.380 1.00 0.00 H new ATOM 1297 N VAL A 83 5.726 6.628 3.834 1.00 0.00 N ATOM 1298 CA VAL A 83 6.424 7.346 2.774 1.00 0.00 C ATOM 1299 C VAL A 83 7.873 7.594 3.178 1.00 0.00 C ATOM 1300 O VAL A 83 8.784 7.549 2.356 1.00 0.00 O ATOM 1301 CB VAL A 83 5.731 8.682 2.445 1.00 0.00 C ATOM 1302 CG1 VAL A 83 6.499 9.466 1.388 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.312 8.416 1.985 1.00 0.00 C ATOM 0 H VAL A 83 5.033 7.183 4.336 1.00 0.00 H new ATOM 0 HA VAL A 83 6.399 6.727 1.877 1.00 0.00 H new ATOM 0 HB VAL A 83 5.711 9.291 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.981 10.402 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.504 9.680 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.563 8.877 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.822 9.361 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.330 7.788 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.762 7.907 2.777 1.00 0.00 H new ATOM 1313 N SER A 84 8.077 7.828 4.466 1.00 0.00 N ATOM 1314 CA SER A 84 9.414 7.962 5.015 1.00 0.00 C ATOM 1315 C SER A 84 10.109 6.600 5.038 1.00 0.00 C ATOM 1316 O SER A 84 11.334 6.512 5.118 1.00 0.00 O ATOM 1317 CB SER A 84 9.334 8.556 6.425 1.00 0.00 C ATOM 1318 OG SER A 84 10.622 8.818 6.959 1.00 0.00 O ATOM 0 H SER A 84 7.328 7.929 5.151 1.00 0.00 H new ATOM 0 HA SER A 84 9.999 8.633 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.757 9.480 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.802 7.867 7.080 1.00 0.00 H new ATOM 0 HG SER A 84 10.532 9.197 7.858 1.00 0.00 H new ATOM 1324 N LEU A 85 9.309 5.540 4.951 1.00 0.00 N ATOM 1325 CA LEU A 85 9.822 4.175 4.950 1.00 0.00 C ATOM 1326 C LEU A 85 10.122 3.718 3.521 1.00 0.00 C ATOM 1327 O LEU A 85 10.570 2.592 3.292 1.00 0.00 O ATOM 1328 CB LEU A 85 8.813 3.233 5.618 1.00 0.00 C ATOM 1329 CG LEU A 85 9.310 1.804 5.851 1.00 0.00 C ATOM 1330 CD1 LEU A 85 10.514 1.799 6.781 1.00 0.00 C ATOM 1331 CD2 LEU A 85 8.193 0.936 6.410 1.00 0.00 C ATOM 0 H LEU A 85 8.293 5.603 4.880 1.00 0.00 H new ATOM 0 HA LEU A 85 10.752 4.149 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.522 3.660 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.915 3.192 5.001 1.00 0.00 H new ATOM 0 HG LEU A 85 9.620 1.387 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.852 0.774 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.319 2.384 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.235 2.236 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.564 -0.076 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.850 1.350 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.363 0.911 5.704 1.00 0.00 H new ATOM 1343 N LYS A 86 9.856 4.597 2.563 1.00 0.00 N ATOM 1344 CA LYS A 86 10.221 4.354 1.178 1.00 0.00 C ATOM 1345 C LYS A 86 11.724 4.112 1.078 1.00 0.00 C ATOM 1346 O LYS A 86 12.512 4.817 1.709 1.00 0.00 O ATOM 1347 CB LYS A 86 9.817 5.555 0.319 1.00 0.00 C ATOM 1348 CG LYS A 86 10.196 5.435 -1.145 1.00 0.00 C ATOM 1349 CD LYS A 86 9.937 6.736 -1.891 1.00 0.00 C ATOM 1350 CE LYS A 86 10.724 7.892 -1.288 1.00 0.00 C ATOM 1351 NZ LYS A 86 10.568 9.143 -2.073 1.00 0.00 N ATOM 0 H LYS A 86 9.386 5.488 2.724 1.00 0.00 H new ATOM 0 HA LYS A 86 9.697 3.470 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.738 5.692 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.281 6.452 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.249 5.168 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.625 4.629 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.211 6.616 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.872 6.966 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.390 8.063 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.780 7.625 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.120 9.904 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.910 8.989 -3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.564 9.414 -2.099 1.00 0.00 H new ATOM 1365 N GLY A 87 12.116 3.107 0.306 1.00 0.00 N ATOM 1366 CA GLY A 87 13.524 2.778 0.168 1.00 0.00 C ATOM 1367 C GLY A 87 14.253 3.743 -0.742 1.00 0.00 C ATOM 1368 O GLY A 87 14.763 3.347 -1.793 1.00 0.00 O ATOM 0 H GLY A 87 11.484 2.512 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.994 2.784 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.622 1.766 -0.226 1.00 0.00 H new ATOM 1372 N GLY A 88 14.316 5.005 -0.329 1.00 0.00 N ATOM 1373 CA GLY A 88 14.921 6.035 -1.148 1.00 0.00 C ATOM 1374 C GLY A 88 14.196 6.180 -2.468 1.00 0.00 C ATOM 1375 O GLY A 88 12.970 6.205 -2.490 1.00 0.00 O ATOM 0 H GLY A 88 13.955 5.333 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.903 6.985 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.968 5.791 -1.330 1.00 0.00 H new ATOM 1379 N PRO A 89 14.921 6.284 -3.584 1.00 0.00 N ATOM 1380 CA PRO A 89 14.305 6.328 -4.908 1.00 0.00 C ATOM 1381 C PRO A 89 13.573 5.023 -5.220 1.00 0.00 C ATOM 1382 O PRO A 89 12.441 5.030 -5.709 1.00 0.00 O ATOM 1383 CB PRO A 89 15.496 6.518 -5.861 1.00 0.00 C ATOM 1384 CG PRO A 89 16.627 6.977 -5.000 1.00 0.00 C ATOM 1385 CD PRO A 89 16.385 6.381 -3.644 1.00 0.00 C ATOM 0 HA PRO A 89 13.559 7.118 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.743 5.587 -6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.267 7.253 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.584 6.648 -5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.660 8.065 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 89 16.859 5.405 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 89 16.781 7.013 -2.849 1.00 0.00 H new ATOM 1393 N TYR A 90 14.237 3.918 -4.885 1.00 0.00 N ATOM 1394 CA TYR A 90 13.753 2.561 -5.145 1.00 0.00 C ATOM 1395 C TYR A 90 14.900 1.594 -4.889 1.00 0.00 C ATOM 1396 O TYR A 90 14.709 0.461 -4.450 1.00 0.00 O ATOM 1397 CB TYR A 90 13.261 2.405 -6.595 1.00 0.00 C ATOM 1398 CG TYR A 90 12.755 1.015 -6.920 1.00 0.00 C ATOM 1399 CD1 TYR A 90 11.521 0.576 -6.456 1.00 0.00 C ATOM 1400 CD2 TYR A 90 13.511 0.142 -7.696 1.00 0.00 C ATOM 1401 CE1 TYR A 90 11.058 -0.692 -6.748 1.00 0.00 C ATOM 1402 CE2 TYR A 90 13.053 -1.129 -7.995 1.00 0.00 C ATOM 1403 CZ TYR A 90 11.824 -1.541 -7.519 1.00 0.00 C ATOM 1404 OH TYR A 90 11.366 -2.806 -7.814 1.00 0.00 O ATOM 0 H TYR A 90 15.143 3.940 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 90 12.910 2.351 -4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.463 3.125 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.076 2.653 -7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.913 1.238 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.472 0.462 -8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.099 -1.018 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.653 -1.795 -8.597 1.00 0.00 H new ATOM 0 HH TYR A 90 12.027 -3.272 -8.367 1.00 0.00 H new ATOM 1414 N GLU A 91 16.095 2.084 -5.163 1.00 0.00 N ATOM 1415 CA GLU A 91 17.323 1.334 -4.993 1.00 0.00 C ATOM 1416 C GLU A 91 18.370 2.318 -4.476 1.00 0.00 C ATOM 1417 O GLU A 91 18.084 3.513 -4.383 1.00 0.00 O ATOM 1418 CB GLU A 91 17.731 0.742 -6.358 1.00 0.00 C ATOM 1419 CG GLU A 91 18.592 -0.519 -6.306 1.00 0.00 C ATOM 1420 CD GLU A 91 20.074 -0.248 -6.117 1.00 0.00 C ATOM 1421 OE1 GLU A 91 20.724 0.255 -7.059 1.00 0.00 O ATOM 1422 OE2 GLU A 91 20.590 -0.529 -5.014 1.00 0.00 O ATOM 0 H GLU A 91 16.241 3.030 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 91 17.214 0.509 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.825 0.517 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.272 1.506 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.242 -1.152 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.451 -1.081 -7.229 1.00 0.00 H new ATOM 1429 N ASN A 92 19.562 1.844 -4.145 1.00 0.00 N ATOM 1430 CA ASN A 92 20.666 2.733 -3.785 1.00 0.00 C ATOM 1431 C ASN A 92 21.158 3.458 -5.039 1.00 0.00 C ATOM 1432 O ASN A 92 22.004 4.351 -4.975 1.00 0.00 O ATOM 1433 CB ASN A 92 21.799 1.928 -3.132 1.00 0.00 C ATOM 1434 CG ASN A 92 23.008 2.773 -2.754 1.00 0.00 C ATOM 1435 OD1 ASN A 92 23.052 3.375 -1.679 1.00 0.00 O ATOM 1436 ND2 ASN A 92 24.010 2.804 -3.623 1.00 0.00 N ATOM 0 H ASN A 92 19.793 0.851 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 92 20.323 3.474 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 92 21.416 1.437 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 92 22.116 1.141 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 92 24.852 3.339 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 92 23.938 2.293 -4.503 1.00 0.00 H new ATOM 1443 N THR A 93 20.589 3.051 -6.174 1.00 0.00 N ATOM 1444 CA THR A 93 20.873 3.615 -7.488 1.00 0.00 C ATOM 1445 C THR A 93 22.354 3.547 -7.817 1.00 0.00 C ATOM 1446 O THR A 93 23.100 4.509 -7.632 1.00 0.00 O ATOM 1447 CB THR A 93 20.331 5.058 -7.667 1.00 0.00 C ATOM 1448 OG1 THR A 93 20.737 5.907 -6.590 1.00 0.00 O ATOM 1449 CG2 THR A 93 18.811 5.050 -7.765 1.00 0.00 C ATOM 0 H THR A 93 19.900 2.300 -6.202 1.00 0.00 H new ATOM 0 HA THR A 93 20.333 2.991 -8.201 1.00 0.00 H new ATOM 0 HB THR A 93 20.751 5.451 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.526 5.525 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 93 18.449 6.071 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.505 4.449 -8.621 1.00 0.00 H new ATOM 0 HG23 THR A 93 18.390 4.625 -6.854 1.00 0.00 H new ATOM 1457 N THR A 94 22.775 2.382 -8.281 1.00 0.00 N ATOM 1458 CA THR A 94 24.148 2.178 -8.692 1.00 0.00 C ATOM 1459 C THR A 94 24.422 2.936 -9.994 1.00 0.00 C ATOM 1460 O THR A 94 24.389 2.369 -11.087 1.00 0.00 O ATOM 1461 CB THR A 94 24.449 0.674 -8.868 1.00 0.00 C ATOM 1462 OG1 THR A 94 23.917 -0.058 -7.752 1.00 0.00 O ATOM 1463 CG2 THR A 94 25.946 0.428 -8.966 1.00 0.00 C ATOM 0 H THR A 94 22.179 1.560 -8.382 1.00 0.00 H new ATOM 0 HA THR A 94 24.805 2.565 -7.913 1.00 0.00 H new ATOM 0 HB THR A 94 23.980 0.335 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 94 24.107 -1.013 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.132 -0.639 -9.090 1.00 0.00 H new ATOM 0 HG22 THR A 94 26.348 0.968 -9.823 1.00 0.00 H new ATOM 0 HG23 THR A 94 26.433 0.778 -8.056 1.00 0.00 H new ATOM 1471 N LYS A 95 24.638 4.239 -9.864 1.00 0.00 N ATOM 1472 CA LYS A 95 24.860 5.109 -11.010 1.00 0.00 C ATOM 1473 C LYS A 95 26.217 5.798 -10.894 1.00 0.00 C ATOM 1474 O LYS A 95 26.507 6.753 -11.615 1.00 0.00 O ATOM 1475 CB LYS A 95 23.747 6.157 -11.077 1.00 0.00 C ATOM 1476 CG LYS A 95 23.701 6.929 -12.384 1.00 0.00 C ATOM 1477 CD LYS A 95 22.979 8.255 -12.208 1.00 0.00 C ATOM 1478 CE LYS A 95 22.777 8.967 -13.535 1.00 0.00 C ATOM 1479 NZ LYS A 95 22.224 10.334 -13.353 1.00 0.00 N ATOM 0 H LYS A 95 24.664 4.720 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 95 24.850 4.510 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 95 22.787 5.663 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 95 23.876 6.862 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 95 24.715 7.108 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 95 23.196 6.334 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.011 8.082 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 95 23.551 8.894 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 95 23.729 9.028 -14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 95 22.102 8.383 -14.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.101 10.785 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.304 10.275 -12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.880 10.900 -12.777 1.00 0.00 H new ATOM 1493 N LEU A 96 27.033 5.304 -9.963 1.00 0.00 N ATOM 1494 CA LEU A 96 28.368 5.856 -9.689 1.00 0.00 C ATOM 1495 C LEU A 96 28.270 7.191 -8.948 1.00 0.00 C ATOM 1496 O LEU A 96 29.282 7.774 -8.554 1.00 0.00 O ATOM 1497 CB LEU A 96 29.195 6.013 -10.977 1.00 0.00 C ATOM 1498 CG LEU A 96 29.232 4.782 -11.891 1.00 0.00 C ATOM 1499 CD1 LEU A 96 30.201 5.001 -13.043 1.00 0.00 C ATOM 1500 CD2 LEU A 96 29.600 3.533 -11.106 1.00 0.00 C ATOM 0 H LEU A 96 26.790 4.508 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 96 28.885 5.143 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 96 28.796 6.854 -11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 96 30.218 6.271 -10.702 1.00 0.00 H new ATOM 0 HG LEU A 96 28.234 4.636 -12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 96 30.214 4.117 -13.681 1.00 0.00 H new ATOM 0 HD12 LEU A 96 29.883 5.865 -13.627 1.00 0.00 H new ATOM 0 HD13 LEU A 96 31.201 5.178 -12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 96 29.619 2.674 -11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.584 3.663 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.861 3.365 -10.323 1.00 0.00 H new ATOM 1512 N SER A 97 27.046 7.665 -8.762 1.00 0.00 N ATOM 1513 CA SER A 97 26.791 8.868 -7.994 1.00 0.00 C ATOM 1514 C SER A 97 26.890 8.559 -6.503 1.00 0.00 C ATOM 1515 O SER A 97 27.637 9.199 -5.764 1.00 0.00 O ATOM 1516 CB SER A 97 25.405 9.407 -8.347 1.00 0.00 C ATOM 1517 OG SER A 97 24.452 8.353 -8.400 1.00 0.00 O ATOM 0 H SER A 97 26.206 7.226 -9.139 1.00 0.00 H new ATOM 0 HA SER A 97 27.535 9.627 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 97 25.097 10.145 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 97 25.443 9.918 -9.309 1.00 0.00 H new ATOM 0 HG SER A 97 23.571 8.719 -8.626 1.00 0.00 H new ATOM 1523 N THR A 98 26.131 7.564 -6.077 1.00 0.00 N ATOM 1524 CA THR A 98 26.208 7.064 -4.721 1.00 0.00 C ATOM 1525 C THR A 98 27.225 5.933 -4.642 1.00 0.00 C ATOM 1526 O THR A 98 26.970 4.817 -5.095 1.00 0.00 O ATOM 1527 CB THR A 98 24.830 6.571 -4.255 1.00 0.00 C ATOM 1528 OG1 THR A 98 24.152 5.957 -5.354 1.00 0.00 O ATOM 1529 CG2 THR A 98 23.994 7.721 -3.711 1.00 0.00 C ATOM 0 H THR A 98 25.447 7.083 -6.661 1.00 0.00 H new ATOM 0 HA THR A 98 26.527 7.874 -4.065 1.00 0.00 H new ATOM 0 HB THR A 98 24.971 5.846 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 98 23.407 5.416 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 98 23.023 7.344 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 98 24.507 8.175 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 98 23.852 8.468 -4.492 1.00 0.00 H new ATOM 1537 N THR A 99 28.389 6.233 -4.093 1.00 0.00 N ATOM 1538 CA THR A 99 29.464 5.262 -4.029 1.00 0.00 C ATOM 1539 C THR A 99 29.411 4.494 -2.711 1.00 0.00 C ATOM 1540 O THR A 99 29.343 5.089 -1.634 1.00 0.00 O ATOM 1541 CB THR A 99 30.828 5.958 -4.194 1.00 0.00 C ATOM 1542 OG1 THR A 99 30.794 6.803 -5.356 1.00 0.00 O ATOM 1543 CG2 THR A 99 31.954 4.943 -4.341 1.00 0.00 C ATOM 0 H THR A 99 28.613 7.141 -3.686 1.00 0.00 H new ATOM 0 HA THR A 99 29.338 4.552 -4.847 1.00 0.00 H new ATOM 0 HB THR A 99 31.018 6.552 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 99 31.660 7.248 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 99 32.903 5.467 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 99 31.993 4.311 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 99 31.773 4.324 -5.219 1.00 0.00 H new TER 1551 THR A 99