USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 831 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 27 TYR OH : rot 180:sc= 0.938 USER MOD Set 1.2: B 106 LYS NZ :NH3+ -141:sc= 2.79 (180deg=0.0705) USER MOD Set 2.1: A 64 ASN : amide:sc= 1.13 K(o=2.6,f=-3.4!) USER MOD Set 2.2: A 83 SER OG : rot -101:sc= 1.49 USER MOD Set 3.1: A 61 THR OG1 : rot 89:sc= 1.17 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.878 K(o=2,f=-0.63) USER MOD Set 4.1: A 11 HIS : no HD1:sc= -0.0565 X(o=-0.2,f=-0.15) USER MOD Set 4.2: A 85 ASN : amide:sc= -0.144 X(o=-0.2,f=-0.083) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 158:sc= -0.233 (180deg=-0.812) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0563) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 28 MET CE :methyl 161:sc= -0.0764 (180deg=-0.453) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= 1.02 USER MOD Single : A 37 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-1.3) USER MOD Single : A 38 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-9.7!) USER MOD Single : A 39 MET CE :methyl -138:sc= -0.0381 (180deg=-1.31) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 50 SER OG : rot -150:sc= -1.34 USER MOD Single : A 56 GLN : amide:sc= -1.62! C(o=-1.6!,f=-2.3!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-13!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 134:sc= 0.981 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.016) USER MOD Single : B 101 SER OG : rot 21:sc= 0.309 USER MOD Single : B 104 SER OG : rot 180:sc= -0.0149 USER MOD Single : B 105 HIS : no HD1:sc= 0.512 K(o=0.51,f=-5.2!) USER MOD Single : B 107 SER OG : rot 180:sc= -0.198 USER MOD Single : B 111 THR OG1 : rot 180:sc= 0.029 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.606 -11.346 -12.790 1.00 0.00 N ATOM 2 CA GLY A 1 -9.288 -10.216 -11.885 1.00 0.00 C ATOM 3 C GLY A 1 -9.497 -8.876 -12.556 1.00 0.00 C ATOM 4 O GLY A 1 -10.614 -8.541 -12.961 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.449 -12.245 -12.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.601 -11.284 -13.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.991 -11.303 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.914 -10.277 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.253 -10.298 -11.553 1.00 0.00 H new ATOM 10 N GLY A 2 -8.422 -8.114 -12.687 1.00 0.00 N ATOM 11 CA GLY A 2 -8.508 -6.815 -13.315 1.00 0.00 C ATOM 12 C GLY A 2 -7.184 -6.384 -13.898 1.00 0.00 C ATOM 13 O GLY A 2 -6.150 -6.989 -13.614 1.00 0.00 O ATOM 0 H GLY A 2 -7.489 -8.374 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.260 -6.842 -14.103 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.839 -6.079 -12.583 1.00 0.00 H new ATOM 17 N SER A 3 -7.215 -5.351 -14.720 1.00 0.00 N ATOM 18 CA SER A 3 -6.008 -4.836 -15.342 1.00 0.00 C ATOM 19 C SER A 3 -5.979 -3.316 -15.254 1.00 0.00 C ATOM 20 O SER A 3 -7.029 -2.681 -15.126 1.00 0.00 O ATOM 21 CB SER A 3 -5.931 -5.284 -16.803 1.00 0.00 C ATOM 22 OG SER A 3 -6.266 -6.658 -16.930 1.00 0.00 O ATOM 0 H SER A 3 -8.067 -4.850 -14.973 1.00 0.00 H new ATOM 0 HA SER A 3 -5.144 -5.234 -14.810 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.609 -4.683 -17.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.925 -5.114 -17.187 1.00 0.00 H new ATOM 0 HG SER A 3 -6.212 -6.922 -17.872 1.00 0.00 H new ATOM 28 N MET A 4 -4.774 -2.749 -15.307 1.00 0.00 N ATOM 29 CA MET A 4 -4.576 -1.301 -15.240 1.00 0.00 C ATOM 30 C MET A 4 -5.152 -0.718 -13.956 1.00 0.00 C ATOM 31 O MET A 4 -6.255 -0.168 -13.946 1.00 0.00 O ATOM 32 CB MET A 4 -5.195 -0.602 -16.454 1.00 0.00 C ATOM 33 CG MET A 4 -4.396 -0.773 -17.734 1.00 0.00 C ATOM 34 SD MET A 4 -5.135 0.090 -19.136 1.00 0.00 S ATOM 35 CE MET A 4 -5.084 1.783 -18.550 1.00 0.00 C ATOM 0 H MET A 4 -3.908 -3.280 -15.398 1.00 0.00 H new ATOM 0 HA MET A 4 -3.500 -1.124 -15.245 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.202 -0.990 -16.611 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.293 0.462 -16.238 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.383 -0.403 -17.577 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.315 -1.835 -17.968 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.127 2.464 -19.400 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.935 1.967 -17.894 1.00 0.00 H new ATOM 0 HE3 MET A 4 -4.159 1.949 -17.999 1.00 0.00 H new ATOM 45 N ARG A 5 -4.406 -0.854 -12.870 1.00 0.00 N ATOM 46 CA ARG A 5 -4.842 -0.330 -11.585 1.00 0.00 C ATOM 47 C ARG A 5 -4.742 1.192 -11.603 1.00 0.00 C ATOM 48 O ARG A 5 -3.725 1.740 -12.023 1.00 0.00 O ATOM 49 CB ARG A 5 -4.006 -0.914 -10.442 1.00 0.00 C ATOM 50 CG ARG A 5 -4.262 -2.394 -10.192 1.00 0.00 C ATOM 51 CD ARG A 5 -3.439 -3.256 -11.129 1.00 0.00 C ATOM 52 NE ARG A 5 -3.917 -4.632 -11.194 1.00 0.00 N ATOM 53 CZ ARG A 5 -3.301 -5.593 -11.877 1.00 0.00 C ATOM 54 NH1 ARG A 5 -2.199 -5.317 -12.568 1.00 0.00 N ATOM 55 NH2 ARG A 5 -3.791 -6.826 -11.885 1.00 0.00 N ATOM 0 H ARG A 5 -3.499 -1.321 -12.853 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.879 -0.622 -11.415 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.949 -0.770 -10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.217 -0.358 -9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.017 -2.639 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.321 -2.611 -10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.460 -2.821 -12.128 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.400 -3.252 -10.801 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.770 -4.871 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.825 -4.368 -12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.727 -6.054 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.643 -7.040 -11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.316 -7.560 -12.410 1.00 0.00 H new ATOM 69 N PRO A 6 -5.787 1.903 -11.159 1.00 0.00 N ATOM 70 CA PRO A 6 -5.814 3.364 -11.157 1.00 0.00 C ATOM 71 C PRO A 6 -5.125 3.966 -9.933 1.00 0.00 C ATOM 72 O PRO A 6 -5.577 3.770 -8.802 1.00 0.00 O ATOM 73 CB PRO A 6 -7.324 3.687 -11.126 1.00 0.00 C ATOM 74 CG PRO A 6 -8.023 2.359 -11.128 1.00 0.00 C ATOM 75 CD PRO A 6 -7.034 1.376 -10.607 1.00 0.00 C ATOM 0 HA PRO A 6 -5.283 3.779 -12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.583 4.264 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.615 4.284 -11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.914 2.386 -10.501 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.348 2.090 -12.133 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.020 1.345 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.240 0.363 -10.952 1.00 0.00 H new ATOM 83 N PRO A 7 -4.004 4.682 -10.129 1.00 0.00 N ATOM 84 CA PRO A 7 -3.286 5.320 -9.031 1.00 0.00 C ATOM 85 C PRO A 7 -4.039 6.503 -8.460 1.00 0.00 C ATOM 86 O PRO A 7 -4.403 7.436 -9.178 1.00 0.00 O ATOM 87 CB PRO A 7 -1.981 5.808 -9.650 1.00 0.00 C ATOM 88 CG PRO A 7 -1.902 5.162 -10.990 1.00 0.00 C ATOM 89 CD PRO A 7 -3.324 4.903 -11.414 1.00 0.00 C ATOM 0 HA PRO A 7 -3.145 4.620 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.972 6.894 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.127 5.531 -9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.394 5.809 -11.705 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.334 4.233 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.746 5.749 -11.956 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.401 4.035 -12.068 1.00 0.00 H new ATOM 97 N ILE A 8 -4.275 6.452 -7.171 1.00 0.00 N ATOM 98 CA ILE A 8 -4.955 7.510 -6.475 1.00 0.00 C ATOM 99 C ILE A 8 -3.915 8.482 -5.958 1.00 0.00 C ATOM 100 O ILE A 8 -3.125 8.155 -5.080 1.00 0.00 O ATOM 101 CB ILE A 8 -5.791 6.940 -5.326 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.411 5.623 -5.771 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.873 7.911 -4.923 1.00 0.00 C ATOM 104 CD1 ILE A 8 -7.063 4.848 -4.659 1.00 0.00 C ATOM 0 H ILE A 8 -3.998 5.671 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.636 8.028 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.147 6.772 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.153 5.825 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.638 5.004 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.456 7.487 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.419 8.847 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.527 8.101 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.481 3.923 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.321 4.613 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.860 5.446 -4.218 1.00 0.00 H new ATOM 116 N ILE A 9 -3.893 9.660 -6.528 1.00 0.00 N ATOM 117 CA ILE A 9 -2.907 10.652 -6.156 1.00 0.00 C ATOM 118 C ILE A 9 -3.247 11.343 -4.843 1.00 0.00 C ATOM 119 O ILE A 9 -4.101 12.229 -4.800 1.00 0.00 O ATOM 120 CB ILE A 9 -2.737 11.726 -7.247 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.927 11.134 -8.649 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.363 12.378 -7.126 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.903 10.080 -9.023 1.00 0.00 C ATOM 0 H ILE A 9 -4.546 9.959 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.973 10.104 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.507 12.484 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.923 10.696 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.885 11.941 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.251 13.136 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.267 12.844 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.589 11.620 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.109 9.713 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.904 10.516 -8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.959 9.252 -8.316 1.00 0.00 H new ATOM 135 N ILE A 10 -2.583 10.926 -3.772 1.00 0.00 N ATOM 136 CA ILE A 10 -2.776 11.553 -2.475 1.00 0.00 C ATOM 137 C ILE A 10 -1.990 12.857 -2.486 1.00 0.00 C ATOM 138 O ILE A 10 -1.140 13.053 -3.351 1.00 0.00 O ATOM 139 CB ILE A 10 -2.257 10.681 -1.294 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.843 9.280 -1.309 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.581 11.324 0.048 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.834 8.222 -0.962 1.00 0.00 C ATOM 0 H ILE A 10 -1.910 10.160 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.845 11.700 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.177 10.612 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.672 9.230 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.254 9.074 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.207 10.693 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.108 12.304 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.661 11.436 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.310 7.242 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.017 8.248 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.442 8.407 0.038 1.00 0.00 H new ATOM 154 N HIS A 11 -2.257 13.731 -1.543 1.00 0.00 N ATOM 155 CA HIS A 11 -1.552 14.985 -1.449 1.00 0.00 C ATOM 156 C HIS A 11 -1.350 15.297 0.020 1.00 0.00 C ATOM 157 O HIS A 11 -2.314 15.472 0.766 1.00 0.00 O ATOM 158 CB HIS A 11 -2.335 16.110 -2.137 1.00 0.00 C ATOM 159 CG HIS A 11 -1.524 17.348 -2.384 1.00 0.00 C ATOM 160 ND1 HIS A 11 -1.672 18.475 -1.608 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.578 17.582 -3.325 1.00 0.00 C ATOM 162 CE1 HIS A 11 -0.816 19.360 -2.092 1.00 0.00 C ATOM 163 NE2 HIS A 11 -0.133 18.865 -3.132 1.00 0.00 N ATOM 0 H HIS A 11 -2.966 13.592 -0.823 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.590 14.908 -1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.720 15.743 -3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.197 16.368 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.239 16.891 -4.082 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.685 20.357 -1.698 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.581 19.349 -3.676 1.00 0.00 H new ATOM 171 N ARG A 12 -0.098 15.300 0.441 1.00 0.00 N ATOM 172 CA ARG A 12 0.243 15.571 1.820 1.00 0.00 C ATOM 173 C ARG A 12 -0.162 16.987 2.207 1.00 0.00 C ATOM 174 O ARG A 12 0.371 17.970 1.692 1.00 0.00 O ATOM 175 CB ARG A 12 1.737 15.368 2.028 1.00 0.00 C ATOM 176 CG ARG A 12 2.150 15.318 3.481 1.00 0.00 C ATOM 177 CD ARG A 12 3.617 14.979 3.605 1.00 0.00 C ATOM 178 NE ARG A 12 4.075 15.036 4.992 1.00 0.00 N ATOM 179 CZ ARG A 12 5.220 15.592 5.388 1.00 0.00 C ATOM 180 NH1 ARG A 12 6.055 16.124 4.502 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.534 15.602 6.679 1.00 0.00 N ATOM 0 H ARG A 12 0.704 15.116 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.303 14.878 2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.039 14.440 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.276 16.177 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.952 16.280 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.553 14.574 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.794 13.980 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.202 15.672 3.001 1.00 0.00 H new ATOM 0 HE ARG A 12 3.477 14.621 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.822 16.109 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.929 16.547 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.900 15.186 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.409 16.026 6.988 1.00 0.00 H new ATOM 195 N ALA A 13 -1.119 17.077 3.115 1.00 0.00 N ATOM 196 CA ALA A 13 -1.618 18.358 3.586 1.00 0.00 C ATOM 197 C ALA A 13 -0.747 18.909 4.713 1.00 0.00 C ATOM 198 O ALA A 13 -1.255 19.403 5.717 1.00 0.00 O ATOM 199 CB ALA A 13 -3.058 18.203 4.048 1.00 0.00 C ATOM 0 H ALA A 13 -1.570 16.269 3.544 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.580 19.072 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.432 19.164 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.672 17.858 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.104 17.476 4.859 1.00 0.00 H new ATOM 205 N GLY A 14 0.568 18.817 4.541 1.00 0.00 N ATOM 206 CA GLY A 14 1.487 19.310 5.551 1.00 0.00 C ATOM 207 C GLY A 14 1.618 18.369 6.734 1.00 0.00 C ATOM 208 O GLY A 14 2.309 18.674 7.707 1.00 0.00 O ATOM 0 H GLY A 14 1.014 18.409 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.468 19.460 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.146 20.284 5.903 1.00 0.00 H new ATOM 212 N LYS A 15 0.960 17.223 6.647 1.00 0.00 N ATOM 213 CA LYS A 15 0.998 16.240 7.719 1.00 0.00 C ATOM 214 C LYS A 15 1.393 14.866 7.191 1.00 0.00 C ATOM 215 O LYS A 15 2.561 14.489 7.236 1.00 0.00 O ATOM 216 CB LYS A 15 -0.359 16.161 8.430 1.00 0.00 C ATOM 217 CG LYS A 15 -1.539 16.567 7.556 1.00 0.00 C ATOM 218 CD LYS A 15 -2.870 16.280 8.230 1.00 0.00 C ATOM 219 CE LYS A 15 -2.965 16.939 9.598 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.367 17.004 10.086 1.00 0.00 N ATOM 0 H LYS A 15 0.393 16.951 5.844 1.00 0.00 H new ATOM 0 HA LYS A 15 1.753 16.561 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.515 15.141 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.334 16.802 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.471 17.630 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.489 16.031 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.682 16.638 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.999 15.203 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.358 16.383 10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.552 17.946 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.388 17.460 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.942 17.556 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.753 16.041 10.161 1.00 0.00 H new ATOM 234 N LYS A 16 0.422 14.137 6.654 1.00 0.00 N ATOM 235 CA LYS A 16 0.665 12.802 6.135 1.00 0.00 C ATOM 236 C LYS A 16 -0.414 12.402 5.134 1.00 0.00 C ATOM 237 O LYS A 16 -1.320 13.183 4.844 1.00 0.00 O ATOM 238 CB LYS A 16 0.700 11.795 7.287 1.00 0.00 C ATOM 239 CG LYS A 16 -0.534 11.836 8.178 1.00 0.00 C ATOM 240 CD LYS A 16 -0.429 10.839 9.321 1.00 0.00 C ATOM 241 CE LYS A 16 -1.606 10.951 10.278 1.00 0.00 C ATOM 242 NZ LYS A 16 -1.552 12.202 11.080 1.00 0.00 N ATOM 0 H LYS A 16 -0.544 14.452 6.568 1.00 0.00 H new ATOM 0 HA LYS A 16 1.627 12.803 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.807 10.791 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.583 11.985 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.660 12.841 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.421 11.617 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.383 9.827 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.500 11.007 9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.537 10.922 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.613 10.091 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.291 12.178 11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.619 12.284 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.708 13.020 10.457 1.00 0.00 H new ATOM 256 N TYR A 17 -0.290 11.189 4.604 1.00 0.00 N ATOM 257 CA TYR A 17 -1.242 10.646 3.646 1.00 0.00 C ATOM 258 C TYR A 17 -2.348 9.905 4.401 1.00 0.00 C ATOM 259 O TYR A 17 -3.279 9.356 3.806 1.00 0.00 O ATOM 260 CB TYR A 17 -0.523 9.739 2.641 1.00 0.00 C ATOM 261 CG TYR A 17 0.759 10.361 2.115 1.00 0.00 C ATOM 262 CD1 TYR A 17 1.958 10.253 2.815 1.00 0.00 C ATOM 263 CD2 TYR A 17 0.764 11.078 0.929 1.00 0.00 C ATOM 264 CE1 TYR A 17 3.116 10.843 2.346 1.00 0.00 C ATOM 265 CE2 TYR A 17 1.918 11.669 0.450 1.00 0.00 C ATOM 266 CZ TYR A 17 3.091 11.550 1.164 1.00 0.00 C ATOM 267 OH TYR A 17 4.241 12.142 0.696 1.00 0.00 O ATOM 0 H TYR A 17 0.476 10.555 4.829 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.702 11.453 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.293 8.785 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.190 9.526 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.983 9.698 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.153 11.177 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.036 10.750 2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.901 12.221 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 17 4.052 12.601 -0.149 1.00 0.00 H new ATOM 277 N GLY A 18 -2.203 9.908 5.724 1.00 0.00 N ATOM 278 CA GLY A 18 -3.145 9.311 6.656 1.00 0.00 C ATOM 279 C GLY A 18 -3.307 7.806 6.590 1.00 0.00 C ATOM 280 O GLY A 18 -3.703 7.180 7.574 1.00 0.00 O ATOM 0 H GLY A 18 -1.403 10.339 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.837 9.576 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.122 9.766 6.491 1.00 0.00 H new ATOM 284 N PHE A 19 -3.022 7.228 5.458 1.00 0.00 N ATOM 285 CA PHE A 19 -3.217 5.800 5.276 1.00 0.00 C ATOM 286 C PHE A 19 -2.082 4.957 5.823 1.00 0.00 C ATOM 287 O PHE A 19 -0.904 5.304 5.751 1.00 0.00 O ATOM 288 CB PHE A 19 -3.537 5.453 3.827 1.00 0.00 C ATOM 289 CG PHE A 19 -2.345 5.366 2.923 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.683 6.505 2.510 1.00 0.00 C ATOM 291 CD2 PHE A 19 -1.888 4.133 2.489 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.584 6.419 1.678 1.00 0.00 C ATOM 293 CE2 PHE A 19 -0.792 4.040 1.659 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.138 5.186 1.252 1.00 0.00 C ATOM 0 H PHE A 19 -2.653 7.715 4.641 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.088 5.542 5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.063 4.498 3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.221 6.203 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.028 7.473 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.396 3.234 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.074 7.317 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.445 3.072 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.721 5.117 0.601 1.00 0.00 H new ATOM 304 N THR A 20 -2.487 3.843 6.376 1.00 0.00 N ATOM 305 CA THR A 20 -1.573 2.878 6.971 1.00 0.00 C ATOM 306 C THR A 20 -1.166 1.795 5.964 1.00 0.00 C ATOM 307 O THR A 20 -2.015 1.022 5.517 1.00 0.00 O ATOM 308 CB THR A 20 -2.230 2.209 8.207 1.00 0.00 C ATOM 309 OG1 THR A 20 -2.641 3.216 9.141 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.293 1.214 8.897 1.00 0.00 C ATOM 0 H THR A 20 -3.468 3.569 6.431 1.00 0.00 H new ATOM 0 HA THR A 20 -0.677 3.419 7.277 1.00 0.00 H new ATOM 0 HB THR A 20 -3.096 1.649 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.057 2.790 9.919 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.799 0.773 9.756 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.017 0.427 8.195 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.395 1.733 9.232 1.00 0.00 H new ATOM 318 N LEU A 21 0.118 1.746 5.593 1.00 0.00 N ATOM 319 CA LEU A 21 0.591 0.725 4.657 1.00 0.00 C ATOM 320 C LEU A 21 0.959 -0.545 5.417 1.00 0.00 C ATOM 321 O LEU A 21 2.117 -0.750 5.769 1.00 0.00 O ATOM 322 CB LEU A 21 1.803 1.205 3.827 1.00 0.00 C ATOM 323 CG LEU A 21 1.892 0.647 2.404 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.603 -0.041 1.985 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.225 1.763 1.438 1.00 0.00 C ATOM 0 H LEU A 21 0.837 2.391 5.921 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.223 0.522 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.774 2.293 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.715 0.938 4.361 1.00 0.00 H new ATOM 0 HG LEU A 21 2.684 -0.102 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.708 -0.423 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.395 -0.868 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.219 0.674 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.288 1.362 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.446 2.524 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.182 2.208 1.712 1.00 0.00 H new ATOM 337 N ARG A 22 -0.039 -1.378 5.684 1.00 0.00 N ATOM 338 CA ARG A 22 0.165 -2.626 6.415 1.00 0.00 C ATOM 339 C ARG A 22 1.025 -3.597 5.608 1.00 0.00 C ATOM 340 O ARG A 22 0.800 -3.778 4.408 1.00 0.00 O ATOM 341 CB ARG A 22 -1.181 -3.289 6.705 1.00 0.00 C ATOM 342 CG ARG A 22 -1.242 -4.030 8.030 1.00 0.00 C ATOM 343 CD ARG A 22 -1.262 -3.069 9.208 1.00 0.00 C ATOM 344 NE ARG A 22 -1.826 -3.689 10.412 1.00 0.00 N ATOM 345 CZ ARG A 22 -1.520 -3.320 11.658 1.00 0.00 C ATOM 346 NH1 ARG A 22 -0.571 -2.424 11.877 1.00 0.00 N ATOM 347 NH2 ARG A 22 -2.138 -3.887 12.687 1.00 0.00 N ATOM 0 H ARG A 22 -1.005 -1.211 5.404 1.00 0.00 H new ATOM 0 HA ARG A 22 0.674 -2.387 7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.959 -2.525 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.409 -3.988 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.133 -4.657 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.382 -4.694 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.247 -2.729 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.846 -2.187 8.947 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.494 -4.450 10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.068 -2.011 11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.342 -2.146 12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.846 -4.604 12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.905 -3.606 13.640 1.00 0.00 H new ATOM 361 N ALA A 23 1.981 -4.232 6.267 1.00 0.00 N ATOM 362 CA ALA A 23 2.857 -5.193 5.606 1.00 0.00 C ATOM 363 C ALA A 23 2.281 -6.602 5.694 1.00 0.00 C ATOM 364 O ALA A 23 1.866 -7.044 6.764 1.00 0.00 O ATOM 365 CB ALA A 23 4.250 -5.154 6.220 1.00 0.00 C ATOM 0 H ALA A 23 2.172 -4.101 7.260 1.00 0.00 H new ATOM 0 HA ALA A 23 2.930 -4.917 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.891 -5.877 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.670 -4.155 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.188 -5.402 7.280 1.00 0.00 H new ATOM 371 N ILE A 24 2.257 -7.315 4.573 1.00 0.00 N ATOM 372 CA ILE A 24 1.726 -8.669 4.547 1.00 0.00 C ATOM 373 C ILE A 24 2.612 -9.594 3.718 1.00 0.00 C ATOM 374 O ILE A 24 3.493 -9.141 2.989 1.00 0.00 O ATOM 375 CB ILE A 24 0.290 -8.713 3.974 1.00 0.00 C ATOM 376 CG1 ILE A 24 0.254 -8.165 2.546 1.00 0.00 C ATOM 377 CG2 ILE A 24 -0.669 -7.942 4.871 1.00 0.00 C ATOM 378 CD1 ILE A 24 -0.951 -8.621 1.757 1.00 0.00 C ATOM 0 H ILE A 24 2.599 -6.977 3.673 1.00 0.00 H new ATOM 0 HA ILE A 24 1.706 -9.011 5.582 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.031 -9.754 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.264 -7.076 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.159 -8.474 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.674 -7.985 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.673 -8.386 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.348 -6.903 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.912 -8.195 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.951 -9.709 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.861 -8.289 2.257 1.00 0.00 H new ATOM 390 N ARG A 25 2.376 -10.891 3.845 1.00 0.00 N ATOM 391 CA ARG A 25 3.138 -11.887 3.106 1.00 0.00 C ATOM 392 C ARG A 25 2.209 -12.995 2.631 1.00 0.00 C ATOM 393 O ARG A 25 1.952 -13.956 3.356 1.00 0.00 O ATOM 394 CB ARG A 25 4.251 -12.479 3.976 1.00 0.00 C ATOM 395 CG ARG A 25 5.486 -11.599 4.082 1.00 0.00 C ATOM 396 CD ARG A 25 6.575 -12.280 4.889 1.00 0.00 C ATOM 397 NE ARG A 25 7.794 -11.475 4.972 1.00 0.00 N ATOM 398 CZ ARG A 25 8.931 -11.914 5.509 1.00 0.00 C ATOM 399 NH1 ARG A 25 9.004 -13.154 5.981 1.00 0.00 N ATOM 400 NH2 ARG A 25 9.990 -11.117 5.575 1.00 0.00 N ATOM 0 H ARG A 25 1.659 -11.280 4.457 1.00 0.00 H new ATOM 0 HA ARG A 25 3.597 -11.402 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.859 -12.659 4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.541 -13.447 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.859 -11.369 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.221 -10.651 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.206 -12.481 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.809 -13.244 4.437 1.00 0.00 H new ATOM 0 HE ARG A 25 7.772 -10.526 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.190 -13.767 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.874 -13.493 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.935 -10.165 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.859 -11.457 5.987 1.00 0.00 H new ATOM 414 N VAL A 26 1.687 -12.834 1.426 1.00 0.00 N ATOM 415 CA VAL A 26 0.770 -13.808 0.847 1.00 0.00 C ATOM 416 C VAL A 26 1.513 -15.012 0.281 1.00 0.00 C ATOM 417 O VAL A 26 2.382 -14.869 -0.576 1.00 0.00 O ATOM 418 CB VAL A 26 -0.083 -13.179 -0.272 1.00 0.00 C ATOM 419 CG1 VAL A 26 -1.266 -12.422 0.311 1.00 0.00 C ATOM 420 CG2 VAL A 26 0.758 -12.254 -1.136 1.00 0.00 C ATOM 0 H VAL A 26 1.883 -12.034 0.825 1.00 0.00 H new ATOM 0 HA VAL A 26 0.119 -14.139 1.656 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.463 -13.987 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.854 -11.987 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.890 -13.108 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.904 -11.628 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.135 -11.821 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.172 -11.456 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.571 -12.820 -1.590 1.00 0.00 H new ATOM 430 N TYR A 27 1.165 -16.195 0.754 1.00 0.00 N ATOM 431 CA TYR A 27 1.801 -17.412 0.283 1.00 0.00 C ATOM 432 C TYR A 27 1.182 -17.848 -1.031 1.00 0.00 C ATOM 433 O TYR A 27 -0.012 -17.652 -1.262 1.00 0.00 O ATOM 434 CB TYR A 27 1.681 -18.517 1.325 1.00 0.00 C ATOM 435 CG TYR A 27 2.557 -18.287 2.531 1.00 0.00 C ATOM 436 CD1 TYR A 27 2.096 -17.552 3.612 1.00 0.00 C ATOM 437 CD2 TYR A 27 3.845 -18.801 2.586 1.00 0.00 C ATOM 438 CE1 TYR A 27 2.893 -17.338 4.716 1.00 0.00 C ATOM 439 CE2 TYR A 27 4.649 -18.591 3.689 1.00 0.00 C ATOM 440 CZ TYR A 27 4.167 -17.860 4.750 1.00 0.00 C ATOM 441 OH TYR A 27 4.958 -17.649 5.855 1.00 0.00 O ATOM 0 H TYR A 27 0.446 -16.339 1.463 1.00 0.00 H new ATOM 0 HA TYR A 27 2.860 -17.212 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.642 -18.594 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.945 -19.471 0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.098 -17.141 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.225 -19.374 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.520 -16.763 5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.649 -18.998 3.718 1.00 0.00 H new ATOM 0 HH TYR A 27 5.827 -18.083 5.723 1.00 0.00 H new ATOM 451 N MET A 28 1.992 -18.429 -1.895 1.00 0.00 N ATOM 452 CA MET A 28 1.518 -18.867 -3.195 1.00 0.00 C ATOM 453 C MET A 28 1.816 -20.342 -3.410 1.00 0.00 C ATOM 454 O MET A 28 2.292 -20.743 -4.476 1.00 0.00 O ATOM 455 CB MET A 28 2.161 -18.028 -4.304 1.00 0.00 C ATOM 456 CG MET A 28 1.836 -16.562 -4.219 1.00 0.00 C ATOM 457 SD MET A 28 2.532 -15.602 -5.578 1.00 0.00 S ATOM 458 CE MET A 28 1.575 -16.231 -6.956 1.00 0.00 C ATOM 0 H MET A 28 2.981 -18.609 -1.721 1.00 0.00 H new ATOM 0 HA MET A 28 0.437 -18.728 -3.230 1.00 0.00 H new ATOM 0 HB2 MET A 28 3.243 -18.154 -4.262 1.00 0.00 H new ATOM 0 HB3 MET A 28 1.833 -18.408 -5.271 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.753 -16.436 -4.210 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.210 -16.167 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.631 -15.530 -7.788 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.976 -17.196 -7.267 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.535 -16.351 -6.652 1.00 0.00 H new ATOM 468 N GLY A 29 1.542 -21.148 -2.397 1.00 0.00 N ATOM 469 CA GLY A 29 1.778 -22.568 -2.509 1.00 0.00 C ATOM 470 C GLY A 29 2.050 -23.229 -1.175 1.00 0.00 C ATOM 471 O GLY A 29 1.828 -22.630 -0.119 1.00 0.00 O ATOM 0 H GLY A 29 1.161 -20.843 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.911 -23.039 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.626 -22.739 -3.172 1.00 0.00 H new ATOM 475 N ASP A 30 2.533 -24.462 -1.235 1.00 0.00 N ATOM 476 CA ASP A 30 2.844 -25.239 -0.041 1.00 0.00 C ATOM 477 C ASP A 30 4.240 -24.902 0.472 1.00 0.00 C ATOM 478 O ASP A 30 4.484 -24.892 1.679 1.00 0.00 O ATOM 479 CB ASP A 30 2.747 -26.736 -0.350 1.00 0.00 C ATOM 480 CG ASP A 30 3.190 -27.609 0.809 1.00 0.00 C ATOM 481 OD1 ASP A 30 2.347 -27.931 1.675 1.00 0.00 O ATOM 482 OD2 ASP A 30 4.379 -27.992 0.849 1.00 0.00 O ATOM 0 H ASP A 30 2.720 -24.952 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 30 2.120 -24.986 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.718 -26.982 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.359 -26.962 -1.223 1.00 0.00 H new ATOM 487 N SER A 31 5.154 -24.615 -0.451 1.00 0.00 N ATOM 488 CA SER A 31 6.527 -24.274 -0.093 1.00 0.00 C ATOM 489 C SER A 31 6.588 -22.886 0.542 1.00 0.00 C ATOM 490 O SER A 31 5.562 -22.224 0.705 1.00 0.00 O ATOM 491 CB SER A 31 7.416 -24.320 -1.338 1.00 0.00 C ATOM 492 OG SER A 31 7.087 -25.434 -2.150 1.00 0.00 O ATOM 0 H SER A 31 4.968 -24.612 -1.454 1.00 0.00 H new ATOM 0 HA SER A 31 6.888 -25.002 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.297 -23.400 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.463 -24.377 -1.041 1.00 0.00 H new ATOM 0 HG SER A 31 7.665 -25.444 -2.941 1.00 0.00 H new ATOM 498 N ASP A 32 7.793 -22.438 0.885 1.00 0.00 N ATOM 499 CA ASP A 32 7.983 -21.126 1.509 1.00 0.00 C ATOM 500 C ASP A 32 7.897 -20.006 0.477 1.00 0.00 C ATOM 501 O ASP A 32 8.549 -18.971 0.609 1.00 0.00 O ATOM 502 CB ASP A 32 9.332 -21.070 2.228 1.00 0.00 C ATOM 503 CG ASP A 32 9.297 -20.184 3.461 1.00 0.00 C ATOM 504 OD1 ASP A 32 8.583 -20.535 4.425 1.00 0.00 O ATOM 505 OD2 ASP A 32 9.993 -19.145 3.481 1.00 0.00 O ATOM 0 H ASP A 32 8.656 -22.963 0.742 1.00 0.00 H new ATOM 0 HA ASP A 32 7.183 -20.983 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.628 -22.078 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.092 -20.700 1.540 1.00 0.00 H new ATOM 510 N VAL A 33 7.106 -20.228 -0.562 1.00 0.00 N ATOM 511 CA VAL A 33 6.920 -19.241 -1.609 1.00 0.00 C ATOM 512 C VAL A 33 5.819 -18.266 -1.226 1.00 0.00 C ATOM 513 O VAL A 33 4.666 -18.649 -1.008 1.00 0.00 O ATOM 514 CB VAL A 33 6.615 -19.886 -2.979 1.00 0.00 C ATOM 515 CG1 VAL A 33 5.555 -20.972 -2.862 1.00 0.00 C ATOM 516 CG2 VAL A 33 6.200 -18.826 -3.991 1.00 0.00 C ATOM 0 H VAL A 33 6.580 -21.091 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 33 7.861 -18.700 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 33 7.530 -20.360 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.366 -21.403 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.906 -21.751 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.633 -20.540 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.990 -19.301 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.306 -18.314 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.007 -18.104 -4.113 1.00 0.00 H new ATOM 526 N TYR A 34 6.184 -17.007 -1.149 1.00 0.00 N ATOM 527 CA TYR A 34 5.246 -15.960 -0.787 1.00 0.00 C ATOM 528 C TYR A 34 5.631 -14.650 -1.449 1.00 0.00 C ATOM 529 O TYR A 34 6.808 -14.405 -1.721 1.00 0.00 O ATOM 530 CB TYR A 34 5.189 -15.783 0.741 1.00 0.00 C ATOM 531 CG TYR A 34 6.525 -15.484 1.391 1.00 0.00 C ATOM 532 CD1 TYR A 34 6.984 -14.177 1.523 1.00 0.00 C ATOM 533 CD2 TYR A 34 7.324 -16.510 1.874 1.00 0.00 C ATOM 534 CE1 TYR A 34 8.202 -13.906 2.118 1.00 0.00 C ATOM 535 CE2 TYR A 34 8.541 -16.246 2.469 1.00 0.00 C ATOM 536 CZ TYR A 34 8.976 -14.945 2.588 1.00 0.00 C ATOM 537 OH TYR A 34 10.191 -14.683 3.179 1.00 0.00 O ATOM 0 H TYR A 34 7.132 -16.677 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 34 4.257 -16.255 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.497 -14.974 0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.779 -16.691 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.379 -13.362 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.988 -17.532 1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.545 -12.886 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 34 9.150 -17.057 2.840 1.00 0.00 H new ATOM 0 HH TYR A 34 10.609 -15.525 3.456 1.00 0.00 H new ATOM 547 N THR A 35 4.639 -13.831 -1.735 1.00 0.00 N ATOM 548 CA THR A 35 4.874 -12.539 -2.344 1.00 0.00 C ATOM 549 C THR A 35 4.716 -11.441 -1.303 1.00 0.00 C ATOM 550 O THR A 35 3.720 -11.398 -0.575 1.00 0.00 O ATOM 551 CB THR A 35 3.911 -12.286 -3.514 1.00 0.00 C ATOM 552 OG1 THR A 35 2.878 -13.282 -3.527 1.00 0.00 O ATOM 553 CG2 THR A 35 4.655 -12.307 -4.838 1.00 0.00 C ATOM 0 H THR A 35 3.657 -14.040 -1.554 1.00 0.00 H new ATOM 0 HA THR A 35 5.891 -12.532 -2.735 1.00 0.00 H new ATOM 0 HB THR A 35 3.463 -11.301 -3.379 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.006 -13.876 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.954 -12.126 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.420 -11.530 -4.838 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.126 -13.280 -4.975 1.00 0.00 H new ATOM 561 N VAL A 36 5.709 -10.579 -1.196 1.00 0.00 N ATOM 562 CA VAL A 36 5.655 -9.494 -0.234 1.00 0.00 C ATOM 563 C VAL A 36 4.814 -8.340 -0.771 1.00 0.00 C ATOM 564 O VAL A 36 5.303 -7.499 -1.526 1.00 0.00 O ATOM 565 CB VAL A 36 7.059 -8.978 0.145 1.00 0.00 C ATOM 566 CG1 VAL A 36 6.981 -8.048 1.346 1.00 0.00 C ATOM 567 CG2 VAL A 36 7.997 -10.139 0.435 1.00 0.00 C ATOM 0 H VAL A 36 6.559 -10.608 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 36 5.191 -9.896 0.667 1.00 0.00 H new ATOM 0 HB VAL A 36 7.456 -8.417 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.981 -7.695 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.345 -7.196 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.561 -8.586 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.982 -9.754 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.602 -10.727 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.080 -10.769 -0.450 1.00 0.00 H new ATOM 577 N HIS A 37 3.543 -8.329 -0.402 1.00 0.00 N ATOM 578 CA HIS A 37 2.631 -7.279 -0.827 1.00 0.00 C ATOM 579 C HIS A 37 2.300 -6.387 0.356 1.00 0.00 C ATOM 580 O HIS A 37 2.835 -6.580 1.449 1.00 0.00 O ATOM 581 CB HIS A 37 1.337 -7.871 -1.394 1.00 0.00 C ATOM 582 CG HIS A 37 1.513 -8.665 -2.653 1.00 0.00 C ATOM 583 ND1 HIS A 37 2.569 -8.452 -3.504 1.00 0.00 N ATOM 584 CD2 HIS A 37 0.735 -9.653 -3.151 1.00 0.00 C ATOM 585 CE1 HIS A 37 2.410 -9.309 -4.496 1.00 0.00 C ATOM 586 NE2 HIS A 37 1.313 -10.058 -4.325 1.00 0.00 N ATOM 0 H HIS A 37 3.118 -9.039 0.194 1.00 0.00 H new ATOM 0 HA HIS A 37 3.117 -6.697 -1.610 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.883 -8.511 -0.637 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.636 -7.059 -1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.168 -10.047 -2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.080 -9.395 -5.339 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.973 -10.790 -4.949 1.00 0.00 H new ATOM 594 N HIS A 38 1.380 -5.453 0.154 1.00 0.00 N ATOM 595 CA HIS A 38 0.971 -4.526 1.202 1.00 0.00 C ATOM 596 C HIS A 38 -0.472 -4.104 0.960 1.00 0.00 C ATOM 597 O HIS A 38 -0.981 -4.227 -0.157 1.00 0.00 O ATOM 598 CB HIS A 38 1.873 -3.280 1.230 1.00 0.00 C ATOM 599 CG HIS A 38 3.315 -3.568 1.514 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.748 -3.926 2.766 1.00 0.00 N ATOM 601 CD2 HIS A 38 4.368 -3.570 0.666 1.00 0.00 C ATOM 602 CE1 HIS A 38 5.045 -4.145 2.649 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.469 -3.942 1.394 1.00 0.00 N ATOM 0 H HIS A 38 0.899 -5.317 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 38 1.061 -5.031 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.799 -2.771 0.269 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.497 -2.591 1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.346 -3.325 -0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.685 -4.450 3.464 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.423 -4.044 1.048 1.00 0.00 H new ATOM 611 N MET A 39 -1.120 -3.578 1.988 1.00 0.00 N ATOM 612 CA MET A 39 -2.519 -3.165 1.882 1.00 0.00 C ATOM 613 C MET A 39 -2.803 -2.006 2.819 1.00 0.00 C ATOM 614 O MET A 39 -2.233 -1.922 3.908 1.00 0.00 O ATOM 615 CB MET A 39 -3.464 -4.319 2.252 1.00 0.00 C ATOM 616 CG MET A 39 -3.529 -5.441 1.230 1.00 0.00 C ATOM 617 SD MET A 39 -4.909 -6.571 1.516 1.00 0.00 S ATOM 618 CE MET A 39 -4.503 -7.206 3.143 1.00 0.00 C ATOM 0 H MET A 39 -0.704 -3.425 2.907 1.00 0.00 H new ATOM 0 HA MET A 39 -2.691 -2.866 0.848 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.149 -4.736 3.209 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.467 -3.917 2.394 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.618 -5.012 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.595 -6.002 1.254 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.690 -8.279 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.451 -7.015 3.356 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.120 -6.710 3.892 1.00 0.00 H new ATOM 628 N VAL A 40 -3.668 -1.097 2.391 1.00 0.00 N ATOM 629 CA VAL A 40 -4.020 0.039 3.218 1.00 0.00 C ATOM 630 C VAL A 40 -4.947 -0.413 4.345 1.00 0.00 C ATOM 631 O VAL A 40 -6.132 -0.686 4.142 1.00 0.00 O ATOM 632 CB VAL A 40 -4.648 1.194 2.407 1.00 0.00 C ATOM 633 CG1 VAL A 40 -5.774 0.699 1.522 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.139 2.293 3.336 1.00 0.00 C ATOM 0 H VAL A 40 -4.133 -1.126 1.484 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.100 0.436 3.646 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.874 1.606 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.194 1.537 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.388 -0.044 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.551 0.248 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.578 3.098 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.890 1.888 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.301 2.682 3.914 1.00 0.00 H new ATOM 644 N TRP A 41 -4.373 -0.500 5.527 1.00 0.00 N ATOM 645 CA TRP A 41 -5.085 -0.946 6.714 1.00 0.00 C ATOM 646 C TRP A 41 -6.108 0.060 7.175 1.00 0.00 C ATOM 647 O TRP A 41 -7.208 -0.293 7.589 1.00 0.00 O ATOM 648 CB TRP A 41 -4.094 -1.160 7.839 1.00 0.00 C ATOM 649 CG TRP A 41 -4.534 -2.187 8.818 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.648 -2.025 10.163 1.00 0.00 C ATOM 651 CD2 TRP A 41 -4.929 -3.532 8.533 1.00 0.00 C ATOM 652 NE1 TRP A 41 -5.072 -3.191 10.740 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.260 -4.132 9.758 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.030 -4.288 7.359 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -5.694 -5.451 9.845 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -5.459 -5.597 7.447 1.00 0.00 C ATOM 657 CH2 TRP A 41 -5.785 -6.167 8.681 1.00 0.00 C ATOM 0 H TRP A 41 -3.395 -0.263 5.696 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.601 -1.871 6.456 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.134 -1.457 7.417 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.935 -0.216 8.359 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.435 -1.111 10.697 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.224 -3.337 11.738 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.777 -3.855 6.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.950 -5.894 10.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.544 -6.190 6.548 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.116 -7.194 8.717 1.00 0.00 H new ATOM 668 N HIS A 42 -5.730 1.316 7.100 1.00 0.00 N ATOM 669 CA HIS A 42 -6.595 2.389 7.543 1.00 0.00 C ATOM 670 C HIS A 42 -6.185 3.689 6.904 1.00 0.00 C ATOM 671 O HIS A 42 -5.023 4.071 6.954 1.00 0.00 O ATOM 672 CB HIS A 42 -6.495 2.525 9.057 1.00 0.00 C ATOM 673 CG HIS A 42 -7.777 2.927 9.724 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.582 2.006 10.353 1.00 0.00 N ATOM 675 CD2 HIS A 42 -8.341 4.152 9.836 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.610 2.689 10.828 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.507 3.992 10.538 1.00 0.00 N ATOM 0 H HIS A 42 -4.828 1.621 6.736 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.620 2.157 7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.164 1.574 9.475 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.728 3.262 9.295 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.947 5.079 9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.429 2.251 11.380 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.169 4.725 10.791 1.00 0.00 H new ATOM 685 N VAL A 43 -7.134 4.357 6.297 1.00 0.00 N ATOM 686 CA VAL A 43 -6.863 5.621 5.650 1.00 0.00 C ATOM 687 C VAL A 43 -7.723 6.716 6.261 1.00 0.00 C ATOM 688 O VAL A 43 -8.935 6.554 6.432 1.00 0.00 O ATOM 689 CB VAL A 43 -7.065 5.531 4.125 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.377 4.872 3.794 1.00 0.00 C ATOM 691 CG2 VAL A 43 -6.989 6.896 3.477 1.00 0.00 C ATOM 0 H VAL A 43 -8.104 4.048 6.236 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.816 5.873 5.816 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.257 4.919 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.496 4.821 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.393 3.864 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.194 5.453 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.136 6.797 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.765 7.539 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.011 7.337 3.671 1.00 0.00 H new ATOM 701 N GLU A 44 -7.067 7.802 6.634 1.00 0.00 N ATOM 702 CA GLU A 44 -7.718 8.936 7.252 1.00 0.00 C ATOM 703 C GLU A 44 -8.711 9.601 6.313 1.00 0.00 C ATOM 704 O GLU A 44 -8.328 10.218 5.313 1.00 0.00 O ATOM 705 CB GLU A 44 -6.668 9.933 7.708 1.00 0.00 C ATOM 706 CG GLU A 44 -5.877 9.458 8.913 1.00 0.00 C ATOM 707 CD GLU A 44 -5.204 10.589 9.658 1.00 0.00 C ATOM 708 OE1 GLU A 44 -4.414 11.329 9.042 1.00 0.00 O ATOM 709 OE2 GLU A 44 -5.464 10.741 10.870 1.00 0.00 O ATOM 0 H GLU A 44 -6.061 7.919 6.514 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.283 8.577 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.981 10.130 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.154 10.878 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.544 8.928 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.121 8.744 8.587 1.00 0.00 H new ATOM 716 N ASP A 45 -9.983 9.503 6.669 1.00 0.00 N ATOM 717 CA ASP A 45 -11.067 10.071 5.879 1.00 0.00 C ATOM 718 C ASP A 45 -11.283 11.541 6.219 1.00 0.00 C ATOM 719 O ASP A 45 -12.406 12.042 6.170 1.00 0.00 O ATOM 720 CB ASP A 45 -12.358 9.282 6.119 1.00 0.00 C ATOM 721 CG ASP A 45 -12.824 9.352 7.559 1.00 0.00 C ATOM 722 OD1 ASP A 45 -12.175 8.731 8.431 1.00 0.00 O ATOM 723 OD2 ASP A 45 -13.837 10.031 7.828 1.00 0.00 O ATOM 0 H ASP A 45 -10.294 9.027 7.516 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.793 10.003 4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.142 9.669 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.199 8.240 5.843 1.00 0.00 H new ATOM 728 N GLY A 46 -10.202 12.238 6.529 1.00 0.00 N ATOM 729 CA GLY A 46 -10.316 13.633 6.887 1.00 0.00 C ATOM 730 C GLY A 46 -9.465 14.556 6.040 1.00 0.00 C ATOM 731 O GLY A 46 -9.220 15.696 6.433 1.00 0.00 O ATOM 0 H GLY A 46 -9.253 11.864 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.359 13.936 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.035 13.754 7.933 1.00 0.00 H new ATOM 735 N GLY A 47 -8.998 14.090 4.885 1.00 0.00 N ATOM 736 CA GLY A 47 -8.194 14.962 4.052 1.00 0.00 C ATOM 737 C GLY A 47 -7.325 14.251 3.026 1.00 0.00 C ATOM 738 O GLY A 47 -7.533 14.432 1.827 1.00 0.00 O ATOM 0 H GLY A 47 -9.156 13.151 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.856 15.652 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.552 15.563 4.696 1.00 0.00 H new ATOM 742 N PRO A 48 -6.330 13.453 3.460 1.00 0.00 N ATOM 743 CA PRO A 48 -5.396 12.752 2.552 1.00 0.00 C ATOM 744 C PRO A 48 -6.007 11.717 1.585 1.00 0.00 C ATOM 745 O PRO A 48 -7.011 11.965 0.918 1.00 0.00 O ATOM 746 CB PRO A 48 -4.444 12.057 3.522 1.00 0.00 C ATOM 747 CG PRO A 48 -4.540 12.837 4.772 1.00 0.00 C ATOM 748 CD PRO A 48 -5.978 13.198 4.873 1.00 0.00 C ATOM 0 HA PRO A 48 -4.950 13.472 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.732 11.018 3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.424 12.050 3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.216 12.251 5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.909 13.725 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.572 12.391 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.135 14.077 5.498 1.00 0.00 H new ATOM 756 N ALA A 49 -5.357 10.546 1.530 1.00 0.00 N ATOM 757 CA ALA A 49 -5.710 9.443 0.633 1.00 0.00 C ATOM 758 C ALA A 49 -7.208 9.150 0.528 1.00 0.00 C ATOM 759 O ALA A 49 -7.686 8.824 -0.557 1.00 0.00 O ATOM 760 CB ALA A 49 -4.932 8.187 1.038 1.00 0.00 C ATOM 0 H ALA A 49 -4.553 10.337 2.122 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.424 9.763 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.194 7.366 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.862 8.384 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.185 7.917 2.063 1.00 0.00 H new ATOM 766 N SER A 50 -7.957 9.298 1.612 1.00 0.00 N ATOM 767 CA SER A 50 -9.384 9.009 1.576 1.00 0.00 C ATOM 768 C SER A 50 -10.123 9.941 0.624 1.00 0.00 C ATOM 769 O SER A 50 -10.832 9.484 -0.270 1.00 0.00 O ATOM 770 CB SER A 50 -9.972 9.122 2.971 1.00 0.00 C ATOM 771 OG SER A 50 -9.904 7.887 3.662 1.00 0.00 O ATOM 0 H SER A 50 -7.606 9.612 2.517 1.00 0.00 H new ATOM 0 HA SER A 50 -9.508 7.990 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.434 9.885 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.010 9.447 2.905 1.00 0.00 H new ATOM 0 HG SER A 50 -10.651 7.824 4.294 1.00 0.00 H new ATOM 777 N GLU A 51 -9.942 11.243 0.809 1.00 0.00 N ATOM 778 CA GLU A 51 -10.599 12.233 -0.036 1.00 0.00 C ATOM 779 C GLU A 51 -10.122 12.086 -1.463 1.00 0.00 C ATOM 780 O GLU A 51 -10.852 12.352 -2.415 1.00 0.00 O ATOM 781 CB GLU A 51 -10.332 13.643 0.476 1.00 0.00 C ATOM 782 CG GLU A 51 -10.878 13.888 1.867 1.00 0.00 C ATOM 783 CD GLU A 51 -11.954 14.950 1.882 1.00 0.00 C ATOM 784 OE1 GLU A 51 -12.908 14.848 1.082 1.00 0.00 O ATOM 785 OE2 GLU A 51 -11.859 15.888 2.698 1.00 0.00 O ATOM 0 H GLU A 51 -9.346 11.638 1.536 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.675 12.062 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.257 13.824 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.775 14.362 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.283 12.958 2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.064 14.189 2.527 1.00 0.00 H new ATOM 792 N ALA A 52 -8.881 11.653 -1.593 1.00 0.00 N ATOM 793 CA ALA A 52 -8.284 11.432 -2.892 1.00 0.00 C ATOM 794 C ALA A 52 -9.023 10.315 -3.625 1.00 0.00 C ATOM 795 O ALA A 52 -9.140 10.336 -4.850 1.00 0.00 O ATOM 796 CB ALA A 52 -6.811 11.095 -2.735 1.00 0.00 C ATOM 0 H ALA A 52 -8.265 11.447 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.367 12.343 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.369 10.930 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.299 11.921 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.706 10.192 -2.134 1.00 0.00 H new ATOM 802 N GLY A 53 -9.543 9.355 -2.864 1.00 0.00 N ATOM 803 CA GLY A 53 -10.267 8.255 -3.463 1.00 0.00 C ATOM 804 C GLY A 53 -9.833 6.895 -2.953 1.00 0.00 C ATOM 805 O GLY A 53 -10.440 5.885 -3.299 1.00 0.00 O ATOM 0 H GLY A 53 -9.474 9.322 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.332 8.384 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.133 8.288 -4.544 1.00 0.00 H new ATOM 809 N LEU A 54 -8.789 6.859 -2.134 1.00 0.00 N ATOM 810 CA LEU A 54 -8.290 5.599 -1.601 1.00 0.00 C ATOM 811 C LEU A 54 -9.290 4.963 -0.652 1.00 0.00 C ATOM 812 O LEU A 54 -9.630 5.526 0.389 1.00 0.00 O ATOM 813 CB LEU A 54 -6.948 5.790 -0.890 1.00 0.00 C ATOM 814 CG LEU A 54 -5.978 4.613 -1.000 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.691 4.894 -0.245 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.613 3.344 -0.489 1.00 0.00 C ATOM 0 H LEU A 54 -8.274 7.684 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.144 4.930 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.464 6.678 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.139 5.985 0.165 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.737 4.481 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.020 4.041 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.212 5.781 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.916 5.063 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.904 2.521 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.891 3.472 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.503 3.120 -1.077 1.00 0.00 H new ATOM 828 N ARG A 55 -9.761 3.789 -1.031 1.00 0.00 N ATOM 829 CA ARG A 55 -10.704 3.051 -0.214 1.00 0.00 C ATOM 830 C ARG A 55 -9.963 2.109 0.730 1.00 0.00 C ATOM 831 O ARG A 55 -9.154 1.291 0.292 1.00 0.00 O ATOM 832 CB ARG A 55 -11.713 2.278 -1.081 1.00 0.00 C ATOM 833 CG ARG A 55 -11.089 1.327 -2.098 1.00 0.00 C ATOM 834 CD ARG A 55 -11.031 -0.105 -1.576 1.00 0.00 C ATOM 835 NE ARG A 55 -12.359 -0.686 -1.392 1.00 0.00 N ATOM 836 CZ ARG A 55 -12.583 -1.865 -0.811 1.00 0.00 C ATOM 837 NH1 ARG A 55 -11.573 -2.587 -0.339 1.00 0.00 N ATOM 838 NH2 ARG A 55 -13.820 -2.323 -0.700 1.00 0.00 N ATOM 0 H ARG A 55 -9.504 3.326 -1.903 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.268 3.768 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.370 1.706 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.338 2.995 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.667 1.354 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.082 1.666 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.462 -0.720 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.496 -0.121 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.164 -0.157 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.617 -2.241 -0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.753 -3.488 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.601 -1.774 -1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.992 -3.225 -0.256 1.00 0.00 H new ATOM 852 N GLN A 56 -10.187 2.276 2.022 1.00 0.00 N ATOM 853 CA GLN A 56 -9.578 1.414 3.029 1.00 0.00 C ATOM 854 C GLN A 56 -9.829 -0.061 2.699 1.00 0.00 C ATOM 855 O GLN A 56 -10.931 -0.434 2.288 1.00 0.00 O ATOM 856 CB GLN A 56 -10.147 1.746 4.405 1.00 0.00 C ATOM 857 CG GLN A 56 -9.455 1.051 5.542 1.00 0.00 C ATOM 858 CD GLN A 56 -9.954 1.507 6.897 1.00 0.00 C ATOM 859 OE1 GLN A 56 -10.326 2.666 7.081 1.00 0.00 O ATOM 860 NE2 GLN A 56 -9.968 0.595 7.855 1.00 0.00 N ATOM 0 H GLN A 56 -10.790 3.005 2.404 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.502 1.588 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.085 2.823 4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.204 1.482 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.603 -0.025 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.382 1.233 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.651 -0.355 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.296 0.841 8.789 1.00 0.00 H new ATOM 869 N GLY A 57 -8.811 -0.892 2.889 1.00 0.00 N ATOM 870 CA GLY A 57 -8.939 -2.310 2.598 1.00 0.00 C ATOM 871 C GLY A 57 -8.553 -2.653 1.168 1.00 0.00 C ATOM 872 O GLY A 57 -8.892 -3.724 0.663 1.00 0.00 O ATOM 0 H GLY A 57 -7.896 -0.609 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.310 -2.876 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.968 -2.622 2.777 1.00 0.00 H new ATOM 876 N ASP A 58 -7.865 -1.733 0.511 1.00 0.00 N ATOM 877 CA ASP A 58 -7.419 -1.928 -0.865 1.00 0.00 C ATOM 878 C ASP A 58 -6.000 -2.471 -0.894 1.00 0.00 C ATOM 879 O ASP A 58 -5.220 -2.250 0.037 1.00 0.00 O ATOM 880 CB ASP A 58 -7.472 -0.608 -1.629 1.00 0.00 C ATOM 881 CG ASP A 58 -7.859 -0.804 -3.075 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.576 -1.886 -3.625 1.00 0.00 O ATOM 883 OD2 ASP A 58 -8.449 0.125 -3.668 1.00 0.00 O ATOM 0 H ASP A 58 -7.599 -0.833 0.911 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.085 -2.648 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.188 0.059 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.498 -0.121 -1.578 1.00 0.00 H new ATOM 888 N LEU A 59 -5.670 -3.176 -1.962 1.00 0.00 N ATOM 889 CA LEU A 59 -4.346 -3.744 -2.121 1.00 0.00 C ATOM 890 C LEU A 59 -3.533 -2.873 -3.061 1.00 0.00 C ATOM 891 O LEU A 59 -3.980 -2.547 -4.161 1.00 0.00 O ATOM 892 CB LEU A 59 -4.421 -5.178 -2.656 1.00 0.00 C ATOM 893 CG LEU A 59 -3.104 -5.739 -3.202 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.286 -6.369 -2.087 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.372 -6.743 -4.311 1.00 0.00 C ATOM 0 H LEU A 59 -6.306 -3.369 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.861 -3.778 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.771 -5.830 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.169 -5.215 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.526 -4.915 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.355 -6.761 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.062 -5.617 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.854 -7.181 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.425 -7.131 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.972 -7.565 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.911 -6.254 -5.122 1.00 0.00 H new ATOM 907 N ILE A 60 -2.346 -2.496 -2.623 1.00 0.00 N ATOM 908 CA ILE A 60 -1.481 -1.657 -3.427 1.00 0.00 C ATOM 909 C ILE A 60 -0.667 -2.517 -4.380 1.00 0.00 C ATOM 910 O ILE A 60 0.000 -3.460 -3.960 1.00 0.00 O ATOM 911 CB ILE A 60 -0.529 -0.800 -2.557 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.319 0.163 -1.665 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.435 -0.013 -3.437 1.00 0.00 C ATOM 914 CD1 ILE A 60 -1.936 -0.472 -0.438 1.00 0.00 C ATOM 0 H ILE A 60 -1.960 -2.758 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.118 -0.976 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 60 0.041 -1.477 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.656 0.968 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.111 0.619 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.097 0.584 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.029 -0.704 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.130 0.645 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.475 0.285 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.628 -1.257 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.150 -0.903 0.183 1.00 0.00 H new ATOM 926 N THR A 61 -0.764 -2.215 -5.661 1.00 0.00 N ATOM 927 CA THR A 61 -0.033 -2.949 -6.672 1.00 0.00 C ATOM 928 C THR A 61 1.192 -2.159 -7.126 1.00 0.00 C ATOM 929 O THR A 61 2.277 -2.715 -7.328 1.00 0.00 O ATOM 930 CB THR A 61 -0.937 -3.255 -7.886 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.326 -2.037 -8.534 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.187 -4.006 -7.449 1.00 0.00 C ATOM 0 H THR A 61 -1.346 -1.461 -6.026 1.00 0.00 H new ATOM 0 HA THR A 61 0.295 -3.891 -6.233 1.00 0.00 H new ATOM 0 HB THR A 61 -0.370 -3.875 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.661 -1.801 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.811 -4.212 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.900 -4.946 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.746 -3.399 -6.737 1.00 0.00 H new ATOM 940 N HIS A 62 1.013 -0.850 -7.263 1.00 0.00 N ATOM 941 CA HIS A 62 2.081 0.029 -7.714 1.00 0.00 C ATOM 942 C HIS A 62 2.076 1.336 -6.935 1.00 0.00 C ATOM 943 O HIS A 62 1.057 1.732 -6.369 1.00 0.00 O ATOM 944 CB HIS A 62 1.909 0.350 -9.203 1.00 0.00 C ATOM 945 CG HIS A 62 1.874 -0.852 -10.099 1.00 0.00 C ATOM 946 ND1 HIS A 62 0.686 -1.355 -10.574 1.00 0.00 N ATOM 947 CD2 HIS A 62 2.894 -1.611 -10.567 1.00 0.00 C ATOM 948 CE1 HIS A 62 1.008 -2.400 -11.315 1.00 0.00 C ATOM 949 NE2 HIS A 62 2.332 -2.593 -11.339 1.00 0.00 N ATOM 0 H HIS A 62 0.133 -0.374 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 62 3.026 -0.488 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.985 0.913 -9.336 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.726 0.999 -9.518 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.946 -1.469 -10.370 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.293 -3.020 -11.836 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.829 -3.331 -11.838 1.00 0.00 H new ATOM 957 N VAL A 63 3.219 1.994 -6.906 1.00 0.00 N ATOM 958 CA VAL A 63 3.352 3.273 -6.239 1.00 0.00 C ATOM 959 C VAL A 63 4.229 4.199 -7.079 1.00 0.00 C ATOM 960 O VAL A 63 5.425 3.965 -7.242 1.00 0.00 O ATOM 961 CB VAL A 63 3.916 3.125 -4.805 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.284 2.460 -4.799 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.969 4.477 -4.112 1.00 0.00 C ATOM 0 H VAL A 63 4.078 1.658 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 63 2.358 3.710 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 63 3.239 2.474 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.643 2.376 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.207 1.466 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.983 3.061 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.368 4.354 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.613 5.151 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.965 4.897 -4.056 1.00 0.00 H new ATOM 973 N ASN A 64 3.608 5.220 -7.663 1.00 0.00 N ATOM 974 CA ASN A 64 4.319 6.185 -8.501 1.00 0.00 C ATOM 975 C ASN A 64 4.935 5.495 -9.710 1.00 0.00 C ATOM 976 O ASN A 64 5.969 5.922 -10.228 1.00 0.00 O ATOM 977 CB ASN A 64 5.416 6.885 -7.705 1.00 0.00 C ATOM 978 CG ASN A 64 5.104 8.340 -7.436 1.00 0.00 C ATOM 979 OD1 ASN A 64 3.941 8.727 -7.284 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.140 9.158 -7.376 1.00 0.00 N ATOM 0 H ASN A 64 2.609 5.402 -7.571 1.00 0.00 H new ATOM 0 HA ASN A 64 3.596 6.926 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.558 6.367 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.357 6.814 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.995 10.152 -7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.084 8.796 -7.508 1.00 0.00 H new ATOM 987 N GLY A 65 4.288 4.436 -10.167 1.00 0.00 N ATOM 988 CA GLY A 65 4.804 3.695 -11.293 1.00 0.00 C ATOM 989 C GLY A 65 5.980 2.845 -10.877 1.00 0.00 C ATOM 990 O GLY A 65 7.012 2.817 -11.544 1.00 0.00 O ATOM 0 H GLY A 65 3.416 4.078 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.020 3.062 -11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.108 4.385 -12.081 1.00 0.00 H new ATOM 994 N GLU A 66 5.816 2.168 -9.756 1.00 0.00 N ATOM 995 CA GLU A 66 6.829 1.318 -9.197 1.00 0.00 C ATOM 996 C GLU A 66 6.165 0.179 -8.431 1.00 0.00 C ATOM 997 O GLU A 66 5.590 0.397 -7.367 1.00 0.00 O ATOM 998 CB GLU A 66 7.686 2.144 -8.251 1.00 0.00 C ATOM 999 CG GLU A 66 9.125 1.674 -8.137 1.00 0.00 C ATOM 1000 CD GLU A 66 9.786 1.481 -9.484 1.00 0.00 C ATOM 1001 OE1 GLU A 66 10.243 2.479 -10.077 1.00 0.00 O ATOM 1002 OE2 GLU A 66 9.857 0.325 -9.955 1.00 0.00 O ATOM 0 H GLU A 66 4.958 2.200 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 66 7.451 0.900 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.681 3.181 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.232 2.128 -7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.695 2.401 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.153 0.734 -7.585 1.00 0.00 H new ATOM 1009 N PRO A 67 6.172 -1.029 -9.010 1.00 0.00 N ATOM 1010 CA PRO A 67 5.604 -2.215 -8.395 1.00 0.00 C ATOM 1011 C PRO A 67 6.101 -2.389 -6.975 1.00 0.00 C ATOM 1012 O PRO A 67 7.305 -2.369 -6.706 1.00 0.00 O ATOM 1013 CB PRO A 67 6.082 -3.376 -9.277 1.00 0.00 C ATOM 1014 CG PRO A 67 7.057 -2.779 -10.235 1.00 0.00 C ATOM 1015 CD PRO A 67 6.720 -1.320 -10.318 1.00 0.00 C ATOM 0 HA PRO A 67 4.517 -2.157 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.550 -4.157 -8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.247 -3.837 -9.804 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.081 -2.923 -9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.981 -3.253 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.602 -0.715 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.999 -1.118 -11.110 1.00 0.00 H new ATOM 1023 N VAL A 68 5.155 -2.549 -6.083 1.00 0.00 N ATOM 1024 CA VAL A 68 5.440 -2.711 -4.662 1.00 0.00 C ATOM 1025 C VAL A 68 5.643 -4.168 -4.350 1.00 0.00 C ATOM 1026 O VAL A 68 6.075 -4.549 -3.267 1.00 0.00 O ATOM 1027 CB VAL A 68 4.305 -2.155 -3.781 1.00 0.00 C ATOM 1028 CG1 VAL A 68 4.105 -0.669 -4.030 1.00 0.00 C ATOM 1029 CG2 VAL A 68 3.011 -2.911 -4.020 1.00 0.00 C ATOM 0 H VAL A 68 4.161 -2.572 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 68 6.346 -2.146 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 68 4.594 -2.293 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.299 -0.299 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.025 -0.134 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.848 -0.507 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.226 -2.499 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.721 -2.814 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.155 -3.964 -3.780 1.00 0.00 H new ATOM 1039 N HIS A 69 5.294 -4.956 -5.335 1.00 0.00 N ATOM 1040 CA HIS A 69 5.380 -6.380 -5.301 1.00 0.00 C ATOM 1041 C HIS A 69 6.794 -6.856 -4.963 1.00 0.00 C ATOM 1042 O HIS A 69 7.646 -6.984 -5.846 1.00 0.00 O ATOM 1043 CB HIS A 69 4.930 -6.863 -6.666 1.00 0.00 C ATOM 1044 CG HIS A 69 3.440 -6.881 -6.836 1.00 0.00 C ATOM 1045 ND1 HIS A 69 2.826 -7.743 -7.715 1.00 0.00 N ATOM 1046 CD2 HIS A 69 2.494 -6.130 -6.219 1.00 0.00 C ATOM 1047 CE1 HIS A 69 1.530 -7.499 -7.612 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.280 -6.530 -6.720 1.00 0.00 N ATOM 0 H HIS A 69 4.927 -4.599 -6.217 1.00 0.00 H new ATOM 0 HA HIS A 69 4.746 -6.791 -4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.367 -6.221 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.318 -7.868 -6.833 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.663 -5.364 -5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.768 -8.016 -8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.364 -6.161 -6.463 1.00 0.00 H new ATOM 1056 N GLY A 70 7.045 -7.103 -3.685 1.00 0.00 N ATOM 1057 CA GLY A 70 8.353 -7.555 -3.261 1.00 0.00 C ATOM 1058 C GLY A 70 9.060 -6.543 -2.380 1.00 0.00 C ATOM 1059 O GLY A 70 10.100 -6.843 -1.792 1.00 0.00 O ATOM 0 H GLY A 70 6.364 -6.998 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.251 -8.495 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.966 -7.758 -4.139 1.00 0.00 H new ATOM 1063 N LEU A 71 8.504 -5.340 -2.291 1.00 0.00 N ATOM 1064 CA LEU A 71 9.093 -4.288 -1.472 1.00 0.00 C ATOM 1065 C LEU A 71 8.821 -4.551 -0.001 1.00 0.00 C ATOM 1066 O LEU A 71 7.762 -5.059 0.362 1.00 0.00 O ATOM 1067 CB LEU A 71 8.527 -2.907 -1.833 1.00 0.00 C ATOM 1068 CG LEU A 71 8.840 -2.383 -3.236 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.461 -0.910 -3.340 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.310 -2.578 -3.576 1.00 0.00 C ATOM 0 H LEU A 71 7.648 -5.070 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 71 10.166 -4.293 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.444 -2.942 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.903 -2.185 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 71 8.250 -2.952 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.687 -0.546 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.395 -0.794 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.029 -0.336 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.505 -2.197 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.925 -2.037 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.555 -3.639 -3.537 1.00 0.00 H new ATOM 1082 N VAL A 72 9.773 -4.200 0.845 1.00 0.00 N ATOM 1083 CA VAL A 72 9.606 -4.381 2.274 1.00 0.00 C ATOM 1084 C VAL A 72 8.709 -3.267 2.819 1.00 0.00 C ATOM 1085 O VAL A 72 8.452 -2.286 2.117 1.00 0.00 O ATOM 1086 CB VAL A 72 10.978 -4.399 2.997 1.00 0.00 C ATOM 1087 CG1 VAL A 72 11.414 -3.006 3.421 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.949 -5.333 4.191 1.00 0.00 C ATOM 0 H VAL A 72 10.665 -3.790 0.568 1.00 0.00 H new ATOM 0 HA VAL A 72 9.132 -5.345 2.461 1.00 0.00 H new ATOM 0 HB VAL A 72 11.712 -4.770 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.380 -3.064 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.501 -2.368 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.675 -2.585 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.923 -5.328 4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.187 -5.000 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.717 -6.344 3.857 1.00 0.00 H new ATOM 1098 N HIS A 73 8.227 -3.430 4.047 1.00 0.00 N ATOM 1099 CA HIS A 73 7.346 -2.443 4.680 1.00 0.00 C ATOM 1100 C HIS A 73 7.855 -1.023 4.509 1.00 0.00 C ATOM 1101 O HIS A 73 7.151 -0.133 4.049 1.00 0.00 O ATOM 1102 CB HIS A 73 7.236 -2.713 6.183 1.00 0.00 C ATOM 1103 CG HIS A 73 6.322 -1.756 6.880 1.00 0.00 C ATOM 1104 ND1 HIS A 73 4.950 -1.869 6.906 1.00 0.00 N ATOM 1105 CD2 HIS A 73 6.616 -0.616 7.552 1.00 0.00 C ATOM 1106 CE1 HIS A 73 4.466 -0.819 7.572 1.00 0.00 C ATOM 1107 NE2 HIS A 73 5.439 -0.028 7.984 1.00 0.00 N ATOM 0 H HIS A 73 8.431 -4.241 4.631 1.00 0.00 H new ATOM 0 HA HIS A 73 6.377 -2.539 4.190 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.877 -3.730 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.228 -2.653 6.632 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.401 -2.622 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.609 -0.228 7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.416 -0.640 7.751 1.00 0.00 H new ATOM 1115 N THR A 74 9.091 -0.832 4.881 1.00 0.00 N ATOM 1116 CA THR A 74 9.701 0.470 4.850 1.00 0.00 C ATOM 1117 C THR A 74 10.007 0.949 3.431 1.00 0.00 C ATOM 1118 O THR A 74 10.155 2.149 3.201 1.00 0.00 O ATOM 1119 CB THR A 74 10.967 0.433 5.718 1.00 0.00 C ATOM 1120 OG1 THR A 74 12.009 -0.271 5.038 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.663 -0.276 7.036 1.00 0.00 C ATOM 0 H THR A 74 9.705 -1.575 5.215 1.00 0.00 H new ATOM 0 HA THR A 74 8.994 1.195 5.252 1.00 0.00 H new ATOM 0 HB THR A 74 11.290 1.456 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.813 -0.288 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.562 -0.302 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.876 0.262 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.333 -1.295 6.833 1.00 0.00 H new ATOM 1129 N GLU A 75 10.071 0.027 2.480 1.00 0.00 N ATOM 1130 CA GLU A 75 10.354 0.386 1.101 1.00 0.00 C ATOM 1131 C GLU A 75 9.175 1.121 0.476 1.00 0.00 C ATOM 1132 O GLU A 75 9.366 2.121 -0.214 1.00 0.00 O ATOM 1133 CB GLU A 75 10.711 -0.844 0.278 1.00 0.00 C ATOM 1134 CG GLU A 75 12.192 -1.192 0.320 1.00 0.00 C ATOM 1135 CD GLU A 75 12.564 -2.306 -0.633 1.00 0.00 C ATOM 1136 OE1 GLU A 75 12.252 -3.479 -0.333 1.00 0.00 O ATOM 1137 OE2 GLU A 75 13.172 -2.015 -1.686 1.00 0.00 O ATOM 0 H GLU A 75 9.931 -0.971 2.639 1.00 0.00 H new ATOM 0 HA GLU A 75 11.214 1.056 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.135 -1.695 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.414 -0.678 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.775 -0.304 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.462 -1.484 1.335 1.00 0.00 H new ATOM 1144 N VAL A 76 7.954 0.640 0.725 1.00 0.00 N ATOM 1145 CA VAL A 76 6.773 1.301 0.173 1.00 0.00 C ATOM 1146 C VAL A 76 6.637 2.695 0.770 1.00 0.00 C ATOM 1147 O VAL A 76 6.411 3.671 0.057 1.00 0.00 O ATOM 1148 CB VAL A 76 5.461 0.512 0.395 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.446 -0.737 -0.463 1.00 0.00 C ATOM 1150 CG2 VAL A 76 5.226 0.162 1.861 1.00 0.00 C ATOM 0 H VAL A 76 7.761 -0.186 1.292 1.00 0.00 H new ATOM 0 HA VAL A 76 6.926 1.356 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 76 4.641 1.164 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.517 -1.282 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.519 -0.457 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.291 -1.371 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.292 -0.391 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.050 -0.451 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.168 1.078 2.449 1.00 0.00 H new ATOM 1160 N VAL A 77 6.770 2.764 2.087 1.00 0.00 N ATOM 1161 CA VAL A 77 6.717 4.020 2.814 1.00 0.00 C ATOM 1162 C VAL A 77 7.738 5.001 2.241 1.00 0.00 C ATOM 1163 O VAL A 77 7.422 6.166 1.991 1.00 0.00 O ATOM 1164 CB VAL A 77 6.994 3.792 4.310 1.00 0.00 C ATOM 1165 CG1 VAL A 77 6.878 5.085 5.098 1.00 0.00 C ATOM 1166 CG2 VAL A 77 6.057 2.732 4.876 1.00 0.00 C ATOM 0 H VAL A 77 6.918 1.948 2.681 1.00 0.00 H new ATOM 0 HA VAL A 77 5.717 4.439 2.705 1.00 0.00 H new ATOM 0 HB VAL A 77 8.019 3.434 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.080 4.889 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.600 5.808 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.871 5.488 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.270 2.586 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.024 3.058 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.206 1.793 4.343 1.00 0.00 H new ATOM 1176 N GLU A 78 8.954 4.512 2.012 1.00 0.00 N ATOM 1177 CA GLU A 78 10.013 5.334 1.450 1.00 0.00 C ATOM 1178 C GLU A 78 9.646 5.797 0.054 1.00 0.00 C ATOM 1179 O GLU A 78 9.843 6.956 -0.286 1.00 0.00 O ATOM 1180 CB GLU A 78 11.332 4.578 1.397 1.00 0.00 C ATOM 1181 CG GLU A 78 12.067 4.593 2.715 1.00 0.00 C ATOM 1182 CD GLU A 78 13.542 4.297 2.560 1.00 0.00 C ATOM 1183 OE1 GLU A 78 14.311 5.238 2.269 1.00 0.00 O ATOM 1184 OE2 GLU A 78 13.940 3.125 2.718 1.00 0.00 O ATOM 0 H GLU A 78 9.227 3.549 2.208 1.00 0.00 H new ATOM 0 HA GLU A 78 10.131 6.200 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.142 3.546 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.967 5.017 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.943 5.569 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.621 3.858 3.384 1.00 0.00 H new ATOM 1191 N LEU A 79 9.126 4.877 -0.751 1.00 0.00 N ATOM 1192 CA LEU A 79 8.711 5.186 -2.119 1.00 0.00 C ATOM 1193 C LEU A 79 7.732 6.357 -2.124 1.00 0.00 C ATOM 1194 O LEU A 79 7.816 7.257 -2.964 1.00 0.00 O ATOM 1195 CB LEU A 79 8.056 3.961 -2.770 1.00 0.00 C ATOM 1196 CG LEU A 79 8.654 3.513 -4.112 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.764 4.682 -5.081 1.00 0.00 C ATOM 1198 CD2 LEU A 79 10.011 2.861 -3.897 1.00 0.00 C ATOM 0 H LEU A 79 8.980 3.905 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 79 9.597 5.460 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.116 3.127 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.998 4.176 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 79 7.983 2.777 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.190 4.335 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.773 5.098 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.407 5.451 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.421 2.549 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.688 3.575 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.898 1.990 -3.251 1.00 0.00 H new ATOM 1210 N ILE A 80 6.822 6.347 -1.160 1.00 0.00 N ATOM 1211 CA ILE A 80 5.823 7.386 -1.031 1.00 0.00 C ATOM 1212 C ILE A 80 6.455 8.712 -0.601 1.00 0.00 C ATOM 1213 O ILE A 80 6.229 9.747 -1.232 1.00 0.00 O ATOM 1214 CB ILE A 80 4.739 6.946 -0.031 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.887 5.848 -0.661 1.00 0.00 C ATOM 1216 CG2 ILE A 80 3.875 8.119 0.377 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.313 4.874 0.335 1.00 0.00 C ATOM 0 H ILE A 80 6.760 5.618 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 80 5.361 7.545 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 80 5.220 6.559 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.070 6.309 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.493 5.300 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.116 7.783 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.496 8.882 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.390 8.537 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.720 4.124 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.124 4.384 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.679 5.408 1.042 1.00 0.00 H new ATOM 1229 N LEU A 81 7.239 8.676 0.475 1.00 0.00 N ATOM 1230 CA LEU A 81 7.916 9.873 0.974 1.00 0.00 C ATOM 1231 C LEU A 81 8.844 10.446 -0.094 1.00 0.00 C ATOM 1232 O LEU A 81 8.982 11.661 -0.233 1.00 0.00 O ATOM 1233 CB LEU A 81 8.712 9.553 2.242 1.00 0.00 C ATOM 1234 CG LEU A 81 7.917 8.872 3.354 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.824 8.540 4.524 1.00 0.00 C ATOM 1236 CD2 LEU A 81 6.764 9.755 3.802 1.00 0.00 C ATOM 0 H LEU A 81 7.421 7.832 1.018 1.00 0.00 H new ATOM 0 HA LEU A 81 7.157 10.617 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.552 8.912 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.131 10.480 2.632 1.00 0.00 H new ATOM 0 HG LEU A 81 7.503 7.942 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.243 8.055 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.616 7.869 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.266 9.457 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.209 9.254 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.154 10.702 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.101 9.944 2.958 1.00 0.00 H new ATOM 1248 N LYS A 82 9.459 9.543 -0.849 1.00 0.00 N ATOM 1249 CA LYS A 82 10.381 9.889 -1.925 1.00 0.00 C ATOM 1250 C LYS A 82 9.708 10.748 -2.986 1.00 0.00 C ATOM 1251 O LYS A 82 10.301 11.692 -3.510 1.00 0.00 O ATOM 1252 CB LYS A 82 10.879 8.613 -2.562 1.00 0.00 C ATOM 1253 CG LYS A 82 12.161 8.758 -3.353 1.00 0.00 C ATOM 1254 CD LYS A 82 12.368 7.567 -4.270 1.00 0.00 C ATOM 1255 CE LYS A 82 12.567 6.280 -3.484 1.00 0.00 C ATOM 1256 NZ LYS A 82 13.276 5.243 -4.281 1.00 0.00 N ATOM 0 H LYS A 82 9.330 8.538 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 82 11.206 10.462 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.033 7.869 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.103 8.226 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.128 9.674 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.006 8.848 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.506 7.461 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.236 7.743 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.135 6.493 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.597 5.895 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.391 4.383 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.722 5.020 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.212 5.600 -4.561 1.00 0.00 H new ATOM 1270 N SER A 83 8.474 10.390 -3.313 1.00 0.00 N ATOM 1271 CA SER A 83 7.696 11.112 -4.311 1.00 0.00 C ATOM 1272 C SER A 83 7.600 12.606 -3.977 1.00 0.00 C ATOM 1273 O SER A 83 7.622 13.450 -4.875 1.00 0.00 O ATOM 1274 CB SER A 83 6.302 10.500 -4.428 1.00 0.00 C ATOM 1275 OG SER A 83 5.534 11.156 -5.424 1.00 0.00 O ATOM 0 H SER A 83 7.986 9.596 -2.897 1.00 0.00 H new ATOM 0 HA SER A 83 8.208 11.022 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.387 9.441 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.791 10.568 -3.468 1.00 0.00 H new ATOM 0 HG SER A 83 4.915 11.785 -4.998 1.00 0.00 H new ATOM 1281 N GLY A 84 7.499 12.936 -2.697 1.00 0.00 N ATOM 1282 CA GLY A 84 7.433 14.332 -2.315 1.00 0.00 C ATOM 1283 C GLY A 84 6.254 14.669 -1.433 1.00 0.00 C ATOM 1284 O GLY A 84 6.101 14.117 -0.345 1.00 0.00 O ATOM 0 H GLY A 84 7.462 12.271 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.352 14.600 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.387 14.944 -3.216 1.00 0.00 H new ATOM 1288 N ASN A 85 5.426 15.588 -1.903 1.00 0.00 N ATOM 1289 CA ASN A 85 4.257 16.030 -1.154 1.00 0.00 C ATOM 1290 C ASN A 85 3.006 15.325 -1.639 1.00 0.00 C ATOM 1291 O ASN A 85 1.894 15.667 -1.254 1.00 0.00 O ATOM 1292 CB ASN A 85 4.075 17.540 -1.273 1.00 0.00 C ATOM 1293 CG ASN A 85 3.948 18.012 -2.711 1.00 0.00 C ATOM 1294 OD1 ASN A 85 2.854 18.057 -3.270 1.00 0.00 O ATOM 1295 ND2 ASN A 85 5.066 18.378 -3.320 1.00 0.00 N ATOM 0 H ASN A 85 5.542 16.046 -2.807 1.00 0.00 H new ATOM 0 HA ASN A 85 4.420 15.776 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.185 17.838 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.923 18.040 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.036 18.710 -4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.956 18.327 -2.825 1.00 0.00 H new ATOM 1302 N LYS A 86 3.202 14.340 -2.483 1.00 0.00 N ATOM 1303 CA LYS A 86 2.114 13.560 -3.023 1.00 0.00 C ATOM 1304 C LYS A 86 2.637 12.264 -3.581 1.00 0.00 C ATOM 1305 O LYS A 86 3.842 12.049 -3.630 1.00 0.00 O ATOM 1306 CB LYS A 86 1.381 14.314 -4.118 1.00 0.00 C ATOM 1307 CG LYS A 86 2.262 14.815 -5.253 1.00 0.00 C ATOM 1308 CD LYS A 86 1.455 15.002 -6.530 1.00 0.00 C ATOM 1309 CE LYS A 86 2.295 15.589 -7.654 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.304 14.625 -8.169 1.00 0.00 N ATOM 0 H LYS A 86 4.123 14.056 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 86 1.415 13.361 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.612 13.663 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.869 15.167 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.724 15.761 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.071 14.106 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.048 14.041 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.607 15.658 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.641 15.897 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.802 16.485 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.851 15.070 -8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.946 14.349 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.821 13.780 -8.536 1.00 0.00 H new ATOM 1324 N VAL A 87 1.727 11.413 -4.010 1.00 0.00 N ATOM 1325 CA VAL A 87 2.114 10.114 -4.562 1.00 0.00 C ATOM 1326 C VAL A 87 0.947 9.391 -5.239 1.00 0.00 C ATOM 1327 O VAL A 87 -0.210 9.516 -4.825 1.00 0.00 O ATOM 1328 CB VAL A 87 2.717 9.207 -3.462 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.661 8.795 -2.446 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.392 7.982 -4.063 1.00 0.00 C ATOM 0 H VAL A 87 0.722 11.587 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 87 2.867 10.316 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 87 3.478 9.789 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.115 8.159 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.245 9.684 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.865 8.246 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.805 7.366 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.660 7.403 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.195 8.299 -4.729 1.00 0.00 H new ATOM 1340 N ALA A 88 1.273 8.652 -6.297 1.00 0.00 N ATOM 1341 CA ALA A 88 0.290 7.881 -7.058 1.00 0.00 C ATOM 1342 C ALA A 88 0.191 6.457 -6.535 1.00 0.00 C ATOM 1343 O ALA A 88 0.956 5.583 -6.946 1.00 0.00 O ATOM 1344 CB ALA A 88 0.651 7.865 -8.535 1.00 0.00 C ATOM 0 H ALA A 88 2.226 8.570 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.680 8.364 -6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.092 7.287 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.671 8.886 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.633 7.411 -8.665 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.743 6.216 -5.635 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.919 4.883 -5.077 1.00 0.00 C ATOM 1352 C ILE A 89 -1.860 4.052 -5.951 1.00 0.00 C ATOM 1353 O ILE A 89 -3.053 4.338 -6.052 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.424 4.932 -3.614 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.691 3.526 -3.095 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.676 5.782 -3.482 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.712 3.442 -1.589 1.00 0.00 C ATOM 0 H ILE A 89 -1.389 6.918 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 89 0.059 4.401 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.640 5.392 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.647 3.177 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.925 2.852 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.001 5.793 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.460 6.800 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.467 5.364 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.907 2.414 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.748 3.761 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.496 4.091 -1.199 1.00 0.00 H new ATOM 1369 N SER A 90 -1.319 3.038 -6.605 1.00 0.00 N ATOM 1370 CA SER A 90 -2.112 2.191 -7.475 1.00 0.00 C ATOM 1371 C SER A 90 -2.703 1.024 -6.696 1.00 0.00 C ATOM 1372 O SER A 90 -1.988 0.102 -6.307 1.00 0.00 O ATOM 1373 CB SER A 90 -1.243 1.685 -8.626 1.00 0.00 C ATOM 1374 OG SER A 90 -1.966 1.625 -9.843 1.00 0.00 O ATOM 0 H SER A 90 -0.333 2.782 -6.549 1.00 0.00 H new ATOM 0 HA SER A 90 -2.938 2.774 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.381 2.341 -8.747 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.858 0.695 -8.383 1.00 0.00 H new ATOM 0 HG SER A 90 -1.379 1.299 -10.557 1.00 0.00 H new ATOM 1380 N THR A 91 -4.002 1.084 -6.452 1.00 0.00 N ATOM 1381 CA THR A 91 -4.688 0.028 -5.730 1.00 0.00 C ATOM 1382 C THR A 91 -5.496 -0.821 -6.701 1.00 0.00 C ATOM 1383 O THR A 91 -5.662 -0.439 -7.860 1.00 0.00 O ATOM 1384 CB THR A 91 -5.601 0.594 -4.634 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.612 1.436 -5.201 1.00 0.00 O ATOM 1386 CG2 THR A 91 -4.792 1.376 -3.616 1.00 0.00 C ATOM 0 H THR A 91 -4.602 1.855 -6.744 1.00 0.00 H new ATOM 0 HA THR A 91 -3.935 -0.593 -5.244 1.00 0.00 H new ATOM 0 HB THR A 91 -6.084 -0.245 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.482 1.210 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.457 1.769 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.054 0.719 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.283 2.202 -4.113 1.00 0.00 H new ATOM 1394 N THR A 92 -6.005 -1.958 -6.241 1.00 0.00 N ATOM 1395 CA THR A 92 -6.742 -2.859 -7.122 1.00 0.00 C ATOM 1396 C THR A 92 -8.267 -2.730 -6.984 1.00 0.00 C ATOM 1397 O THR A 92 -8.844 -3.130 -5.970 1.00 0.00 O ATOM 1398 CB THR A 92 -6.302 -4.334 -6.912 1.00 0.00 C ATOM 1399 OG1 THR A 92 -7.034 -5.213 -7.778 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.483 -4.773 -5.467 1.00 0.00 C ATOM 0 H THR A 92 -5.923 -2.276 -5.275 1.00 0.00 H new ATOM 0 HA THR A 92 -6.491 -2.554 -8.138 1.00 0.00 H new ATOM 0 HB THR A 92 -5.241 -4.390 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.741 -6.136 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.165 -5.810 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.881 -4.139 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.533 -4.685 -5.189 1.00 0.00 H new ATOM 1408 N PRO A 93 -8.947 -2.128 -7.985 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.411 -2.009 -7.980 1.00 0.00 C ATOM 1410 C PRO A 93 -11.119 -3.353 -7.815 1.00 0.00 C ATOM 1411 O PRO A 93 -10.492 -4.415 -7.823 1.00 0.00 O ATOM 1412 CB PRO A 93 -10.730 -1.432 -9.358 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.508 -0.681 -9.740 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.348 -1.425 -9.140 1.00 0.00 C ATOM 0 HA PRO A 93 -10.751 -1.398 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.952 -2.221 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.602 -0.779 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.412 -0.621 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.548 0.342 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.909 -2.124 -9.851 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.554 -0.746 -8.829 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.433 -3.294 -7.692 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.258 -4.487 -7.529 1.00 0.00 C ATOM 1424 C LEU A 94 -13.210 -5.366 -8.778 1.00 0.00 C ATOM 1425 O LEU A 94 -12.737 -4.940 -9.839 1.00 0.00 O ATOM 1426 CB LEU A 94 -14.713 -4.100 -7.235 1.00 0.00 C ATOM 1427 CG LEU A 94 -15.009 -2.605 -7.186 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.140 -2.060 -8.592 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.275 -2.342 -6.389 1.00 0.00 C ATOM 0 H LEU A 94 -12.961 -2.422 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.856 -5.051 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.349 -4.552 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -14.999 -4.539 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.183 -2.096 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.351 -0.992 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.209 -2.225 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.954 -2.571 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.473 -1.270 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.114 -2.855 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.148 -2.712 -5.372 1.00 0.00 H new ATOM 1441 N GLU A 95 -13.714 -6.585 -8.644 1.00 0.00 N ATOM 1442 CA GLU A 95 -13.749 -7.536 -9.743 1.00 0.00 C ATOM 1443 C GLU A 95 -14.853 -8.562 -9.509 1.00 0.00 C ATOM 1444 O GLU A 95 -15.339 -8.717 -8.383 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.390 -8.236 -9.906 1.00 0.00 C ATOM 1446 CG GLU A 95 -12.044 -9.214 -8.790 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.642 -8.536 -7.495 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.510 -8.012 -7.417 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -12.449 -8.543 -6.544 1.00 0.00 O ATOM 0 H GLU A 95 -14.108 -6.940 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.960 -6.993 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.383 -8.771 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.609 -7.477 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.903 -9.858 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.230 -9.858 -9.122 1.00 0.00 H new ATOM 1456 N ASN A 96 -15.251 -9.249 -10.569 1.00 0.00 N ATOM 1457 CA ASN A 96 -16.305 -10.253 -10.481 1.00 0.00 C ATOM 1458 C ASN A 96 -15.784 -11.529 -9.839 1.00 0.00 C ATOM 1459 O ASN A 96 -14.560 -11.764 -9.878 1.00 0.00 O ATOM 1460 CB ASN A 96 -16.878 -10.567 -11.867 1.00 0.00 C ATOM 1461 CG ASN A 96 -15.880 -11.265 -12.775 1.00 0.00 C ATOM 1462 OD1 ASN A 96 -15.825 -12.495 -12.834 1.00 0.00 O ATOM 1463 ND2 ASN A 96 -15.096 -10.487 -13.505 1.00 0.00 N ATOM 1464 OXT ASN A 96 -16.601 -12.296 -9.292 1.00 0.00 O ATOM 0 H ASN A 96 -14.860 -9.130 -11.504 1.00 0.00 H new ATOM 0 HA ASN A 96 -17.100 -9.844 -9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -17.761 -11.196 -11.755 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -17.204 -9.640 -12.338 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -14.417 -10.902 -14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -15.171 -9.473 -13.429 1.00 0.00 H new TER 1471 ASN A 96 ATOM 1472 N SER B 101 -3.946 -16.379 0.273 1.00 0.00 N ATOM 1473 CA SER B 101 -3.449 -17.233 1.369 1.00 0.00 C ATOM 1474 C SER B 101 -2.462 -16.471 2.246 1.00 0.00 C ATOM 1475 O SER B 101 -1.256 -16.475 1.998 1.00 0.00 O ATOM 1476 CB SER B 101 -2.791 -18.487 0.790 1.00 0.00 C ATOM 1477 OG SER B 101 -3.594 -19.048 -0.239 1.00 0.00 O ATOM 0 HA SER B 101 -4.294 -17.528 1.991 1.00 0.00 H new ATOM 0 HB2 SER B 101 -1.807 -18.237 0.394 1.00 0.00 H new ATOM 0 HB3 SER B 101 -2.639 -19.222 1.581 1.00 0.00 H new ATOM 0 HG SER B 101 -4.207 -18.366 -0.584 1.00 0.00 H new ATOM 1485 N TRP B 102 -2.984 -15.797 3.258 1.00 0.00 N ATOM 1486 CA TRP B 102 -2.160 -15.034 4.176 1.00 0.00 C ATOM 1487 C TRP B 102 -2.639 -15.238 5.608 1.00 0.00 C ATOM 1488 O TRP B 102 -3.823 -15.070 5.911 1.00 0.00 O ATOM 1489 CB TRP B 102 -2.183 -13.544 3.810 1.00 0.00 C ATOM 1490 CG TRP B 102 -1.619 -12.659 4.882 1.00 0.00 C ATOM 1491 CD1 TRP B 102 -0.357 -12.700 5.398 1.00 0.00 C ATOM 1492 CD2 TRP B 102 -2.301 -11.602 5.567 1.00 0.00 C ATOM 1493 NE1 TRP B 102 -0.218 -11.744 6.374 1.00 0.00 N ATOM 1494 CE2 TRP B 102 -1.396 -11.056 6.496 1.00 0.00 C ATOM 1495 CE3 TRP B 102 -3.591 -11.067 5.490 1.00 0.00 C ATOM 1496 CZ2 TRP B 102 -1.739 -10.002 7.340 1.00 0.00 C ATOM 1497 CZ3 TRP B 102 -3.929 -10.021 6.327 1.00 0.00 C ATOM 1498 CH2 TRP B 102 -3.007 -9.498 7.242 1.00 0.00 C ATOM 0 H TRP B 102 -3.983 -15.764 3.464 1.00 0.00 H new ATOM 0 HA TRP B 102 -1.133 -15.390 4.098 1.00 0.00 H new ATOM 0 HB2 TRP B 102 -1.617 -13.394 2.891 1.00 0.00 H new ATOM 0 HB3 TRP B 102 -3.210 -13.244 3.604 1.00 0.00 H new ATOM 0 HD1 TRP B 102 0.418 -13.383 5.085 1.00 0.00 H new ATOM 0 HE1 TRP B 102 0.626 -11.574 6.920 1.00 0.00 H new ATOM 0 HE3 TRP B 102 -4.310 -11.464 4.789 1.00 0.00 H new ATOM 0 HZ2 TRP B 102 -1.029 -9.597 8.046 1.00 0.00 H new ATOM 0 HZ3 TRP B 102 -4.922 -9.599 6.275 1.00 0.00 H new ATOM 0 HH2 TRP B 102 -3.303 -8.681 7.883 1.00 0.00 H new ATOM 1509 N GLU B 103 -1.720 -15.620 6.481 1.00 0.00 N ATOM 1510 CA GLU B 103 -2.048 -15.838 7.880 1.00 0.00 C ATOM 1511 C GLU B 103 -2.109 -14.508 8.622 1.00 0.00 C ATOM 1512 O GLU B 103 -3.170 -13.887 8.720 1.00 0.00 O ATOM 1513 CB GLU B 103 -1.027 -16.764 8.549 1.00 0.00 C ATOM 1514 CG GLU B 103 -1.138 -18.217 8.120 1.00 0.00 C ATOM 1515 CD GLU B 103 -0.473 -18.487 6.789 1.00 0.00 C ATOM 1516 OE1 GLU B 103 0.768 -18.382 6.712 1.00 0.00 O ATOM 1517 OE2 GLU B 103 -1.187 -18.817 5.817 1.00 0.00 O ATOM 0 H GLU B 103 -0.742 -15.785 6.245 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.026 -16.318 7.925 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -0.023 -16.405 8.323 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -1.151 -16.704 9.630 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.686 -18.852 8.882 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -2.191 -18.493 8.058 1.00 0.00 H new ATOM 1524 N SER B 104 -0.966 -14.069 9.123 1.00 0.00 N ATOM 1525 CA SER B 104 -0.881 -12.820 9.859 1.00 0.00 C ATOM 1526 C SER B 104 0.446 -12.127 9.568 1.00 0.00 C ATOM 1527 O SER B 104 1.155 -12.502 8.629 1.00 0.00 O ATOM 1528 CB SER B 104 -1.031 -13.078 11.358 1.00 0.00 C ATOM 1529 OG SER B 104 -2.128 -13.940 11.624 1.00 0.00 O ATOM 0 H SER B 104 -0.079 -14.564 9.032 1.00 0.00 H new ATOM 0 HA SER B 104 -1.692 -12.167 9.537 1.00 0.00 H new ATOM 0 HB2 SER B 104 -0.114 -13.521 11.747 1.00 0.00 H new ATOM 0 HB3 SER B 104 -1.174 -12.132 11.880 1.00 0.00 H new ATOM 0 HG SER B 104 -2.200 -14.089 12.590 1.00 0.00 H new ATOM 1535 N HIS B 105 0.778 -11.127 10.370 1.00 0.00 N ATOM 1536 CA HIS B 105 2.010 -10.376 10.188 1.00 0.00 C ATOM 1537 C HIS B 105 3.238 -11.263 10.330 1.00 0.00 C ATOM 1538 O HIS B 105 3.437 -11.916 11.352 1.00 0.00 O ATOM 1539 CB HIS B 105 2.089 -9.223 11.187 1.00 0.00 C ATOM 1540 CG HIS B 105 1.504 -7.953 10.662 1.00 0.00 C ATOM 1541 ND1 HIS B 105 0.194 -7.612 10.891 1.00 0.00 N ATOM 1542 CD2 HIS B 105 2.093 -6.986 9.924 1.00 0.00 C ATOM 1543 CE1 HIS B 105 0.018 -6.448 10.287 1.00 0.00 C ATOM 1544 NE2 HIS B 105 1.140 -6.031 9.688 1.00 0.00 N ATOM 0 H HIS B 105 0.208 -10.816 11.157 1.00 0.00 H new ATOM 0 HA HIS B 105 1.996 -9.976 9.174 1.00 0.00 H new ATOM 0 HB2 HIS B 105 1.567 -9.506 12.101 1.00 0.00 H new ATOM 0 HB3 HIS B 105 3.132 -9.053 11.455 1.00 0.00 H new ATOM 0 HD2 HIS B 105 3.118 -6.969 9.585 1.00 0.00 H new ATOM 0 HE1 HIS B 105 -0.914 -5.903 10.278 1.00 0.00 H new ATOM 0 HE2 HIS B 105 1.262 -5.168 9.158 1.00 0.00 H new ATOM 1552 N LYS B 106 4.047 -11.296 9.285 1.00 0.00 N ATOM 1553 CA LYS B 106 5.270 -12.084 9.289 1.00 0.00 C ATOM 1554 C LYS B 106 6.419 -11.226 8.785 1.00 0.00 C ATOM 1555 O LYS B 106 7.521 -11.713 8.535 1.00 0.00 O ATOM 1556 CB LYS B 106 5.113 -13.329 8.412 1.00 0.00 C ATOM 1557 CG LYS B 106 4.039 -14.289 8.897 1.00 0.00 C ATOM 1558 CD LYS B 106 4.047 -15.580 8.099 1.00 0.00 C ATOM 1559 CE LYS B 106 2.976 -16.538 8.586 1.00 0.00 C ATOM 1560 NZ LYS B 106 3.086 -17.869 7.935 1.00 0.00 N ATOM 0 H LYS B 106 3.879 -10.784 8.419 1.00 0.00 H new ATOM 0 HA LYS B 106 5.480 -12.413 10.307 1.00 0.00 H new ATOM 0 HB2 LYS B 106 4.877 -13.018 7.394 1.00 0.00 H new ATOM 0 HB3 LYS B 106 6.066 -13.856 8.371 1.00 0.00 H new ATOM 0 HG2 LYS B 106 4.197 -14.511 9.952 1.00 0.00 H new ATOM 0 HG3 LYS B 106 3.061 -13.815 8.814 1.00 0.00 H new ATOM 0 HD2 LYS B 106 3.887 -15.358 7.044 1.00 0.00 H new ATOM 0 HD3 LYS B 106 5.025 -16.054 8.180 1.00 0.00 H new ATOM 0 HE2 LYS B 106 3.057 -16.655 9.667 1.00 0.00 H new ATOM 0 HE3 LYS B 106 1.992 -16.115 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 106 2.134 -18.234 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 106 3.622 -17.778 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 106 3.579 -18.527 8.572 1.00 0.00 H new ATOM 1574 N SER B 107 6.141 -9.939 8.648 1.00 0.00 N ATOM 1575 CA SER B 107 7.118 -8.981 8.171 1.00 0.00 C ATOM 1576 C SER B 107 7.460 -7.992 9.281 1.00 0.00 C ATOM 1577 O SER B 107 6.632 -7.726 10.157 1.00 0.00 O ATOM 1578 CB SER B 107 6.559 -8.244 6.954 1.00 0.00 C ATOM 1579 OG SER B 107 5.559 -9.018 6.301 1.00 0.00 O ATOM 0 H SER B 107 5.231 -9.532 8.865 1.00 0.00 H new ATOM 0 HA SER B 107 8.029 -9.505 7.880 1.00 0.00 H new ATOM 0 HB2 SER B 107 6.138 -7.288 7.266 1.00 0.00 H new ATOM 0 HB3 SER B 107 7.367 -8.024 6.256 1.00 0.00 H new ATOM 0 HG SER B 107 5.216 -8.524 5.527 1.00 0.00 H new ATOM 1585 N GLY B 108 8.672 -7.457 9.246 1.00 0.00 N ATOM 1586 CA GLY B 108 9.094 -6.513 10.263 1.00 0.00 C ATOM 1587 C GLY B 108 8.732 -5.080 9.923 1.00 0.00 C ATOM 1588 O GLY B 108 8.898 -4.644 8.779 1.00 0.00 O ATOM 0 H GLY B 108 9.372 -7.659 8.532 1.00 0.00 H new ATOM 0 HA2 GLY B 108 8.636 -6.782 11.215 1.00 0.00 H new ATOM 0 HA3 GLY B 108 10.173 -6.588 10.396 1.00 0.00 H new ATOM 1592 N GLY B 109 8.231 -4.356 10.914 1.00 0.00 N ATOM 1593 CA GLY B 109 7.860 -2.970 10.713 1.00 0.00 C ATOM 1594 C GLY B 109 6.372 -2.791 10.485 1.00 0.00 C ATOM 1595 O GLY B 109 5.756 -3.565 9.752 1.00 0.00 O ATOM 0 H GLY B 109 8.074 -4.706 11.859 1.00 0.00 H new ATOM 0 HA2 GLY B 109 8.163 -2.387 11.583 1.00 0.00 H new ATOM 0 HA3 GLY B 109 8.405 -2.572 9.857 1.00 0.00 H new ATOM 1599 N GLU B 110 5.795 -1.785 11.133 1.00 0.00 N ATOM 1600 CA GLU B 110 4.378 -1.475 10.991 1.00 0.00 C ATOM 1601 C GLU B 110 4.116 -0.008 11.293 1.00 0.00 C ATOM 1602 O GLU B 110 3.613 0.343 12.359 1.00 0.00 O ATOM 1603 CB GLU B 110 3.510 -2.344 11.898 1.00 0.00 C ATOM 1604 CG GLU B 110 2.778 -3.443 11.152 1.00 0.00 C ATOM 1605 CD GLU B 110 1.979 -2.906 9.983 1.00 0.00 C ATOM 1606 OE1 GLU B 110 1.362 -1.825 10.126 1.00 0.00 O ATOM 1607 OE2 GLU B 110 1.944 -3.573 8.929 1.00 0.00 O ATOM 0 H GLU B 110 6.295 -1.164 11.769 1.00 0.00 H new ATOM 0 HA GLU B 110 4.109 -1.688 9.956 1.00 0.00 H new ATOM 0 HB2 GLU B 110 4.137 -2.792 12.669 1.00 0.00 H new ATOM 0 HB3 GLU B 110 2.782 -1.712 12.407 1.00 0.00 H new ATOM 0 HG2 GLU B 110 3.498 -4.177 10.791 1.00 0.00 H new ATOM 0 HG3 GLU B 110 2.110 -3.963 11.838 1.00 0.00 H new ATOM 1614 N THR B 111 4.475 0.845 10.360 1.00 0.00 N ATOM 1615 CA THR B 111 4.259 2.266 10.498 1.00 0.00 C ATOM 1616 C THR B 111 3.151 2.689 9.540 1.00 0.00 C ATOM 1617 O THR B 111 2.628 1.869 8.785 1.00 0.00 O ATOM 1618 CB THR B 111 5.552 3.080 10.225 1.00 0.00 C ATOM 1619 OG1 THR B 111 5.424 4.407 10.758 1.00 0.00 O ATOM 1620 CG2 THR B 111 5.866 3.162 8.734 1.00 0.00 C ATOM 0 H THR B 111 4.924 0.573 9.486 1.00 0.00 H new ATOM 0 HA THR B 111 3.966 2.474 11.527 1.00 0.00 H new ATOM 0 HB THR B 111 6.373 2.560 10.718 1.00 0.00 H new ATOM 0 HG1 THR B 111 6.246 4.911 10.582 1.00 0.00 H new ATOM 0 HG21 THR B 111 6.778 3.740 8.586 1.00 0.00 H new ATOM 0 HG22 THR B 111 6.004 2.157 8.335 1.00 0.00 H new ATOM 0 HG23 THR B 111 5.040 3.648 8.214 1.00 0.00 H new ATOM 1628 N ARG B 112 2.791 3.950 9.570 1.00 0.00 N ATOM 1629 CA ARG B 112 1.747 4.452 8.704 1.00 0.00 C ATOM 1630 C ARG B 112 2.208 5.733 8.025 1.00 0.00 C ATOM 1631 O ARG B 112 3.054 6.456 8.560 1.00 0.00 O ATOM 1632 CB ARG B 112 0.459 4.644 9.519 1.00 0.00 C ATOM 1633 CG ARG B 112 -0.517 5.667 8.952 1.00 0.00 C ATOM 1634 CD ARG B 112 -0.764 6.801 9.931 1.00 0.00 C ATOM 1635 NE ARG B 112 0.410 7.659 10.079 1.00 0.00 N ATOM 1636 CZ ARG B 112 0.988 7.948 11.245 1.00 0.00 C ATOM 1637 NH1 ARG B 112 0.496 7.461 12.381 1.00 0.00 N ATOM 1638 NH2 ARG B 112 2.055 8.735 11.276 1.00 0.00 N ATOM 0 H ARG B 112 3.206 4.650 10.186 1.00 0.00 H new ATOM 0 HA ARG B 112 1.531 3.734 7.913 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -0.050 3.683 9.597 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.729 4.945 10.531 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -0.123 6.070 8.019 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -1.462 5.178 8.714 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -1.609 7.398 9.589 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -1.037 6.389 10.902 1.00 0.00 H new ATOM 0 HE ARG B 112 0.814 8.063 9.234 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -0.329 6.862 12.364 1.00 0.00 H new ATOM 0 HH12 ARG B 112 0.944 7.687 13.269 1.00 0.00 H new ATOM 0 HH21 ARG B 112 2.432 9.118 10.409 1.00 0.00 H new ATOM 0 HH22 ARG B 112 2.499 8.958 12.167 1.00 0.00 H new ATOM 1652 N LEU B 113 1.680 5.986 6.836 1.00 0.00 N ATOM 1653 CA LEU B 113 2.038 7.167 6.070 1.00 0.00 C ATOM 1654 C LEU B 113 1.295 8.387 6.596 1.00 0.00 C ATOM 1655 O LEU B 113 1.382 8.658 7.813 1.00 0.00 O ATOM 1656 CB LEU B 113 1.716 6.952 4.583 1.00 0.00 C ATOM 1657 CG LEU B 113 2.760 6.179 3.768 1.00 0.00 C ATOM 1658 CD1 LEU B 113 4.137 6.794 3.926 1.00 0.00 C ATOM 1659 CD2 LEU B 113 2.777 4.713 4.165 1.00 0.00 C ATOM 1660 OXT LEU B 113 0.635 9.069 5.796 1.00 0.00 O ATOM 0 H LEU B 113 0.996 5.382 6.379 1.00 0.00 H new ATOM 0 HA LEU B 113 3.109 7.339 6.178 1.00 0.00 H new ATOM 0 HB2 LEU B 113 0.766 6.423 4.511 1.00 0.00 H new ATOM 0 HB3 LEU B 113 1.573 7.928 4.119 1.00 0.00 H new ATOM 0 HG LEU B 113 2.480 6.244 2.716 1.00 0.00 H new ATOM 0 HD11 LEU B 113 4.858 6.227 3.338 1.00 0.00 H new ATOM 0 HD12 LEU B 113 4.116 7.827 3.577 1.00 0.00 H new ATOM 0 HD13 LEU B 113 4.427 6.771 4.976 1.00 0.00 H new ATOM 0 HD21 LEU B 113 3.525 4.185 3.574 1.00 0.00 H new ATOM 0 HD22 LEU B 113 3.023 4.625 5.223 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.795 4.275 3.983 1.00 0.00 H new TER 1672 LEU B 113