USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 87 THR OG1 : rot 52:sc= 0.67 USER MOD Set 1.2: A 90 SER OG : rot 24:sc= 0.772 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -2.62 K(o=-2.3,f=-7.7!) USER MOD Set 2.2: A 82 THR OG1 : rot 102:sc= 0.348 USER MOD Set 3.1: A 73 TYR OH : rot 54:sc= 1.87 USER MOD Set 3.2: A 115 TYR OH : rot -148:sc= 1.16 USER MOD Set 4.1: A 67 ASN : amide:sc= -3.3! K(o=-5.8!,f=-0.44) USER MOD Set 4.2: A 69 GLN : amide:sc= -2.46! K(o=-5.8!,f=-0.44) USER MOD Set 5.1: A 30 MET CE :methyl -176:sc= -2.67! (180deg=-2.7!) USER MOD Set 5.2: A 44 ASN : amide:sc= -0.847 K(o=-3.5,f=-4.7) USER MOD Set 6.1: A 17 SER OG : rot 163:sc= 0.174 USER MOD Set 6.2: A 25 TYR OH : rot -46:sc= 1.24 USER MOD Set 7.1: A 24 THR OG1 : rot 180:sc= 0.0813 USER MOD Set 7.2: A 28 GLN : amide:sc= -1.07 K(o=-0.98,f=0.0051) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : A 11 GLN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -9.93! C(o=-9.9!,f=-6.8!) USER MOD Single : A 13 MET CE :methyl 154:sc= -2.94 (180deg=-5.19!) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00901 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -60:sc= 0.348 USER MOD Single : A 21 SER OG : rot -138:sc= 0.509 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -5.89! C(o=-5.9!,f=-8!) USER MOD Single : A 29 MET CE :methyl 158:sc= -2.03 (180deg=-3.79!) USER MOD Single : A 34 ASN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 35 MET CE :methyl -124:sc= -0.882 (180deg=-4.16!) USER MOD Single : A 36 THR OG1 : rot 130:sc= -0.0144 USER MOD Single : A 37 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0946 USER MOD Single : A 55 GLN : amide:sc= -11! C(o=-11!,f=-5.7!) USER MOD Single : A 56 ASN : amide:sc= -0.624 K(o=-0.62,f=-0.059) USER MOD Single : A 60 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.88) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 108:sc= 1.09 USER MOD Single : A 76 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 157:sc= -0.551 (180deg=-1.22) USER MOD Single : A 80 HIS : no HE2:sc= -3.87! C(o=-3.9!,f=-6.8!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.977 X(o=-0.98,f=-0.83) USER MOD Single : A 97 TYR OH : rot 40:sc= -2.4! USER MOD Single : A 99 THR OG1 : rot 152:sc= 0.243 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -169:sc=-0.00823 (180deg=-0.143) USER MOD Single : A 105 HIS : no HD1:sc= -4.15! C(o=-4.1!,f=-2.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-1.1!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.00469 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.084 -0.846 -7.001 1.00 22.13 N ATOM 50 CA ARG A 4 -6.283 -1.367 -7.646 1.00 2.01 C ATOM 51 C ARG A 4 -5.936 -2.055 -8.963 1.00 31.42 C ATOM 52 O ARG A 4 -6.060 -3.273 -9.089 1.00 61.24 O ATOM 53 CB ARG A 4 -7.284 -0.238 -7.896 1.00 74.15 C ATOM 54 CG ARG A 4 -8.551 -0.693 -8.603 1.00 64.05 C ATOM 55 CD ARG A 4 -9.656 -1.019 -7.611 1.00 61.54 C ATOM 56 NE ARG A 4 -10.918 -0.375 -7.966 1.00 64.21 N ATOM 57 CZ ARG A 4 -11.895 -0.145 -7.097 1.00 11.14 C ATOM 58 NH1 ARG A 4 -11.757 -0.504 -5.828 1.00 24.11 N ATOM 59 NH2 ARG A 4 -13.014 0.446 -7.496 1.00 10.43 N ATOM 0 HA ARG A 4 -6.734 -2.102 -6.980 1.00 2.01 H new ATOM 0 HB2 ARG A 4 -7.553 0.215 -6.942 1.00 74.15 H new ATOM 0 HB3 ARG A 4 -6.803 0.537 -8.493 1.00 74.15 H new ATOM 0 HG2 ARG A 4 -8.890 0.088 -9.283 1.00 64.05 H new ATOM 0 HG3 ARG A 4 -8.335 -1.572 -9.210 1.00 64.05 H new ATOM 0 HD2 ARG A 4 -9.799 -2.099 -7.570 1.00 61.54 H new ATOM 0 HD3 ARG A 4 -9.354 -0.699 -6.614 1.00 61.54 H new ATOM 0 HE ARG A 4 -11.056 -0.086 -8.934 1.00 64.21 H new ATOM 0 HH11 ARG A 4 -10.898 -0.958 -5.517 1.00 24.11 H new ATOM 0 HH12 ARG A 4 -12.510 -0.326 -5.163 1.00 24.11 H new ATOM 0 HH21 ARG A 4 -13.124 0.724 -8.471 1.00 10.43 H new ATOM 0 HH22 ARG A 4 -13.764 0.622 -6.828 1.00 10.43 H new ATOM 73 N ALA A 5 -5.502 -1.267 -9.940 1.00 50.35 N ATOM 74 CA ALA A 5 -5.136 -1.800 -11.247 1.00 31.03 C ATOM 75 C ALA A 5 -4.129 -2.937 -11.113 1.00 31.32 C ATOM 76 O ALA A 5 -4.188 -3.923 -11.849 1.00 11.25 O ATOM 77 CB ALA A 5 -4.574 -0.695 -12.129 1.00 65.50 C ATOM 0 H ALA A 5 -5.395 -0.256 -9.852 1.00 50.35 H new ATOM 0 HA ALA A 5 -6.036 -2.200 -11.714 1.00 31.03 H new ATOM 0 HB1 ALA A 5 -4.305 -1.107 -13.102 1.00 65.50 H new ATOM 0 HB2 ALA A 5 -5.326 0.084 -12.260 1.00 65.50 H new ATOM 0 HB3 ALA A 5 -3.688 -0.269 -11.658 1.00 65.50 H new ATOM 83 N LYS A 6 -3.204 -2.794 -10.170 1.00 32.44 N ATOM 84 CA LYS A 6 -2.184 -3.810 -9.938 1.00 45.41 C ATOM 85 C LYS A 6 -2.820 -5.173 -9.686 1.00 5.12 C ATOM 86 O LYS A 6 -2.292 -6.203 -10.107 1.00 15.05 O ATOM 87 CB LYS A 6 -1.305 -3.417 -8.748 1.00 41.22 C ATOM 88 CG LYS A 6 0.152 -3.193 -9.116 1.00 12.24 C ATOM 89 CD LYS A 6 0.684 -1.899 -8.522 1.00 72.12 C ATOM 90 CE LYS A 6 2.181 -1.757 -8.747 1.00 25.42 C ATOM 91 NZ LYS A 6 2.965 -2.218 -7.567 1.00 63.45 N ATOM 0 H LYS A 6 -3.140 -1.984 -9.554 1.00 32.44 H new ATOM 0 HA LYS A 6 -1.565 -3.878 -10.833 1.00 45.41 H new ATOM 0 HB2 LYS A 6 -1.702 -2.507 -8.299 1.00 41.22 H new ATOM 0 HB3 LYS A 6 -1.364 -4.198 -7.990 1.00 41.22 H new ATOM 0 HG2 LYS A 6 0.751 -4.031 -8.760 1.00 12.24 H new ATOM 0 HG3 LYS A 6 0.254 -3.166 -10.201 1.00 12.24 H new ATOM 0 HD2 LYS A 6 0.166 -1.051 -8.970 1.00 72.12 H new ATOM 0 HD3 LYS A 6 0.472 -1.874 -7.453 1.00 72.12 H new ATOM 0 HE2 LYS A 6 2.473 -2.334 -9.625 1.00 25.42 H new ATOM 0 HE3 LYS A 6 2.420 -0.714 -8.957 1.00 25.42 H new ATOM 0 HZ1 LYS A 6 3.981 -2.105 -7.760 1.00 63.45 H new ATOM 0 HZ2 LYS A 6 2.705 -1.651 -6.735 1.00 63.45 H new ATOM 0 HZ3 LYS A 6 2.757 -3.220 -7.382 1.00 63.45 H new ATOM 105 N LYS A 7 -3.956 -5.172 -8.998 1.00 32.22 N ATOM 106 CA LYS A 7 -4.667 -6.408 -8.692 1.00 24.15 C ATOM 107 C LYS A 7 -5.231 -7.040 -9.960 1.00 0.10 C ATOM 108 O LYS A 7 -5.275 -8.263 -10.089 1.00 72.53 O ATOM 109 CB LYS A 7 -5.798 -6.137 -7.697 1.00 23.40 C ATOM 110 CG LYS A 7 -5.916 -7.190 -6.608 1.00 65.15 C ATOM 111 CD LYS A 7 -6.611 -6.641 -5.374 1.00 54.24 C ATOM 112 CE LYS A 7 -7.498 -7.690 -4.721 1.00 22.00 C ATOM 113 NZ LYS A 7 -8.805 -7.122 -4.291 1.00 13.31 N ATOM 0 H LYS A 7 -4.405 -4.328 -8.641 1.00 32.22 H new ATOM 0 HA LYS A 7 -3.958 -7.105 -8.245 1.00 24.15 H new ATOM 0 HB2 LYS A 7 -5.637 -5.164 -7.234 1.00 23.40 H new ATOM 0 HB3 LYS A 7 -6.742 -6.080 -8.239 1.00 23.40 H new ATOM 0 HG2 LYS A 7 -6.472 -8.047 -6.988 1.00 65.15 H new ATOM 0 HG3 LYS A 7 -4.923 -7.548 -6.338 1.00 65.15 H new ATOM 0 HD2 LYS A 7 -5.865 -6.297 -4.658 1.00 54.24 H new ATOM 0 HD3 LYS A 7 -7.212 -5.775 -5.649 1.00 54.24 H new ATOM 0 HE2 LYS A 7 -7.670 -8.507 -5.422 1.00 22.00 H new ATOM 0 HE3 LYS A 7 -6.984 -8.113 -3.858 1.00 22.00 H new ATOM 0 HZ1 LYS A 7 -9.380 -7.869 -3.851 1.00 13.31 H new ATOM 0 HZ2 LYS A 7 -8.643 -6.359 -3.603 1.00 13.31 H new ATOM 0 HZ3 LYS A 7 -9.307 -6.741 -5.118 1.00 13.31 H new ATOM 127 N PHE A 8 -5.660 -6.198 -10.894 1.00 73.13 N ATOM 128 CA PHE A 8 -6.221 -6.675 -12.153 1.00 55.51 C ATOM 129 C PHE A 8 -5.137 -7.286 -13.035 1.00 41.24 C ATOM 130 O PHE A 8 -5.419 -8.122 -13.893 1.00 51.11 O ATOM 131 CB PHE A 8 -6.912 -5.528 -12.895 1.00 2.13 C ATOM 132 CG PHE A 8 -7.427 -5.916 -14.251 1.00 40.53 C ATOM 133 CD1 PHE A 8 -8.682 -6.484 -14.394 1.00 35.25 C ATOM 134 CD2 PHE A 8 -6.656 -5.711 -15.384 1.00 51.32 C ATOM 135 CE1 PHE A 8 -9.158 -6.842 -15.641 1.00 35.44 C ATOM 136 CE2 PHE A 8 -7.127 -6.067 -16.634 1.00 50.41 C ATOM 137 CZ PHE A 8 -8.380 -6.632 -16.762 1.00 74.34 C ATOM 0 H PHE A 8 -5.630 -5.182 -10.803 1.00 73.13 H new ATOM 0 HA PHE A 8 -6.956 -7.447 -11.925 1.00 55.51 H new ATOM 0 HB2 PHE A 8 -7.742 -5.163 -12.291 1.00 2.13 H new ATOM 0 HB3 PHE A 8 -6.210 -4.702 -13.005 1.00 2.13 H new ATOM 0 HD1 PHE A 8 -9.296 -6.649 -13.521 1.00 35.25 H new ATOM 0 HD2 PHE A 8 -5.676 -5.268 -15.289 1.00 51.32 H new ATOM 0 HE1 PHE A 8 -10.138 -7.286 -15.739 1.00 35.44 H new ATOM 0 HE2 PHE A 8 -6.516 -5.903 -17.509 1.00 50.41 H new ATOM 0 HZ PHE A 8 -8.751 -6.909 -17.738 1.00 74.34 H new ATOM 147 N GLN A 9 -3.896 -6.861 -12.818 1.00 34.34 N ATOM 148 CA GLN A 9 -2.770 -7.366 -13.594 1.00 3.34 C ATOM 149 C GLN A 9 -2.409 -8.785 -13.169 1.00 65.43 C ATOM 150 O GLN A 9 -2.284 -9.681 -14.005 1.00 52.31 O ATOM 151 CB GLN A 9 -1.558 -6.447 -13.428 1.00 65.42 C ATOM 152 CG GLN A 9 -1.489 -5.337 -14.465 1.00 34.34 C ATOM 153 CD GLN A 9 -2.861 -4.857 -14.896 1.00 41.31 C ATOM 154 OE1 GLN A 9 -3.542 -5.513 -15.685 1.00 23.24 O ATOM 155 NE2 GLN A 9 -3.274 -3.705 -14.380 1.00 73.21 N ATOM 0 H GLN A 9 -3.646 -6.169 -12.112 1.00 34.34 H new ATOM 0 HA GLN A 9 -3.063 -7.385 -14.644 1.00 3.34 H new ATOM 0 HB2 GLN A 9 -1.583 -6.002 -12.433 1.00 65.42 H new ATOM 0 HB3 GLN A 9 -0.648 -7.045 -13.487 1.00 65.42 H new ATOM 0 HG2 GLN A 9 -0.926 -4.498 -14.057 1.00 34.34 H new ATOM 0 HG3 GLN A 9 -0.942 -5.693 -15.338 1.00 34.34 H new ATOM 0 HE21 GLN A 9 -2.677 -3.194 -13.730 1.00 73.21 H new ATOM 0 HE22 GLN A 9 -4.188 -3.331 -14.634 1.00 73.21 H new ATOM 164 N ARG A 10 -2.241 -8.984 -11.866 1.00 10.41 N ATOM 165 CA ARG A 10 -1.893 -10.294 -11.331 1.00 24.30 C ATOM 166 C ARG A 10 -3.115 -11.206 -11.287 1.00 34.03 C ATOM 167 O ARG A 10 -3.042 -12.334 -10.801 1.00 31.32 O ATOM 168 CB ARG A 10 -1.296 -10.155 -9.929 1.00 53.41 C ATOM 169 CG ARG A 10 0.041 -9.432 -9.905 1.00 71.33 C ATOM 170 CD ARG A 10 1.114 -10.269 -9.227 1.00 21.21 C ATOM 171 NE ARG A 10 2.404 -9.584 -9.195 1.00 74.40 N ATOM 172 CZ ARG A 10 3.568 -10.215 -9.088 1.00 40.34 C ATOM 173 NH1 ARG A 10 3.604 -11.537 -9.004 1.00 64.33 N ATOM 174 NH2 ARG A 10 4.699 -9.522 -9.066 1.00 44.43 N ATOM 0 H ARG A 10 -2.340 -8.254 -11.161 1.00 10.41 H new ATOM 0 HA ARG A 10 -1.151 -10.742 -11.991 1.00 24.30 H new ATOM 0 HB2 ARG A 10 -2.001 -9.618 -9.295 1.00 53.41 H new ATOM 0 HB3 ARG A 10 -1.170 -11.148 -9.497 1.00 53.41 H new ATOM 0 HG2 ARG A 10 0.349 -9.200 -10.925 1.00 71.33 H new ATOM 0 HG3 ARG A 10 -0.067 -8.482 -9.381 1.00 71.33 H new ATOM 0 HD2 ARG A 10 0.802 -10.502 -8.209 1.00 21.21 H new ATOM 0 HD3 ARG A 10 1.220 -11.218 -9.753 1.00 21.21 H new ATOM 0 HE ARG A 10 2.411 -8.566 -9.258 1.00 74.40 H new ATOM 0 HH11 ARG A 10 2.736 -12.073 -9.021 1.00 64.33 H new ATOM 0 HH12 ARG A 10 4.499 -12.019 -8.922 1.00 64.33 H new ATOM 0 HH21 ARG A 10 4.675 -8.504 -9.131 1.00 44.43 H new ATOM 0 HH22 ARG A 10 5.593 -10.007 -8.984 1.00 44.43 H new ATOM 188 N GLN A 11 -4.237 -10.708 -11.796 1.00 52.14 N ATOM 189 CA GLN A 11 -5.476 -11.478 -11.814 1.00 4.45 C ATOM 190 C GLN A 11 -5.688 -12.136 -13.172 1.00 73.35 C ATOM 191 O GLN A 11 -5.603 -13.358 -13.302 1.00 45.01 O ATOM 192 CB GLN A 11 -6.665 -10.577 -11.478 1.00 54.44 C ATOM 193 CG GLN A 11 -7.264 -10.845 -10.107 1.00 53.41 C ATOM 194 CD GLN A 11 -8.614 -10.181 -9.920 1.00 13.10 C ATOM 195 OE1 GLN A 11 -8.796 -9.361 -9.020 1.00 13.51 O ATOM 196 NE2 GLN A 11 -9.570 -10.533 -10.772 1.00 14.14 N ATOM 0 H GLN A 11 -4.314 -9.775 -12.201 1.00 52.14 H new ATOM 0 HA GLN A 11 -5.399 -12.262 -11.060 1.00 4.45 H new ATOM 0 HB2 GLN A 11 -6.347 -9.536 -11.529 1.00 54.44 H new ATOM 0 HB3 GLN A 11 -7.437 -10.712 -12.235 1.00 54.44 H new ATOM 0 HG2 GLN A 11 -7.370 -11.921 -9.965 1.00 53.41 H new ATOM 0 HG3 GLN A 11 -6.578 -10.488 -9.339 1.00 53.41 H new ATOM 0 HE21 GLN A 11 -9.375 -11.217 -11.503 1.00 14.14 H new ATOM 0 HE22 GLN A 11 -10.499 -10.119 -10.695 1.00 14.14 H new ATOM 205 N HIS A 12 -5.967 -11.319 -14.184 1.00 23.54 N ATOM 206 CA HIS A 12 -6.192 -11.823 -15.534 1.00 22.32 C ATOM 207 C HIS A 12 -4.927 -11.699 -16.378 1.00 10.10 C ATOM 208 O HIS A 12 -4.459 -12.677 -16.959 1.00 62.23 O ATOM 209 CB HIS A 12 -7.340 -11.064 -16.199 1.00 60.23 C ATOM 210 CG HIS A 12 -8.430 -10.674 -15.249 1.00 74.34 C ATOM 211 ND1 HIS A 12 -9.565 -11.433 -15.054 1.00 20.02 N ATOM 212 CD2 HIS A 12 -8.554 -9.599 -14.437 1.00 51.31 C ATOM 213 CE1 HIS A 12 -10.340 -10.840 -14.164 1.00 33.25 C ATOM 214 NE2 HIS A 12 -9.750 -9.725 -13.773 1.00 65.22 N ATOM 0 H HIS A 12 -6.042 -10.306 -14.094 1.00 23.54 H new ATOM 0 HA HIS A 12 -6.457 -12.878 -15.462 1.00 22.32 H new ATOM 0 HB2 HIS A 12 -6.944 -10.166 -16.673 1.00 60.23 H new ATOM 0 HB3 HIS A 12 -7.763 -11.682 -16.990 1.00 60.23 H new ATOM 0 HD2 HIS A 12 -7.845 -8.792 -14.331 1.00 51.31 H new ATOM 0 HE1 HIS A 12 -11.295 -11.205 -13.815 1.00 33.25 H new ATOM 0 HE2 HIS A 12 -10.122 -9.065 -13.090 1.00 65.22 H new ATOM 222 N MET A 13 -4.380 -10.489 -16.441 1.00 30.31 N ATOM 223 CA MET A 13 -3.169 -10.238 -17.214 1.00 13.20 C ATOM 224 C MET A 13 -2.069 -11.224 -16.837 1.00 23.32 C ATOM 225 O MET A 13 -1.437 -11.092 -15.789 1.00 24.44 O ATOM 226 CB MET A 13 -2.684 -8.804 -16.990 1.00 72.20 C ATOM 227 CG MET A 13 -3.739 -7.752 -17.291 1.00 2.31 C ATOM 228 SD MET A 13 -4.702 -8.135 -18.766 1.00 64.24 S ATOM 229 CE MET A 13 -3.600 -7.548 -20.051 1.00 74.23 C ATOM 0 H MET A 13 -4.756 -9.668 -15.967 1.00 30.31 H new ATOM 0 HA MET A 13 -3.407 -10.373 -18.269 1.00 13.20 H new ATOM 0 HB2 MET A 13 -2.360 -8.696 -15.955 1.00 72.20 H new ATOM 0 HB3 MET A 13 -1.812 -8.622 -17.618 1.00 72.20 H new ATOM 0 HG2 MET A 13 -4.410 -7.662 -16.437 1.00 2.31 H new ATOM 0 HG3 MET A 13 -3.255 -6.784 -17.419 1.00 2.31 H new ATOM 0 HE1 MET A 13 -3.795 -8.093 -20.974 1.00 74.23 H new ATOM 0 HE2 MET A 13 -3.768 -6.484 -20.216 1.00 74.23 H new ATOM 0 HE3 MET A 13 -2.566 -7.710 -19.746 1.00 74.23 H new ATOM 239 N ASP A 14 -1.845 -12.212 -17.697 1.00 14.31 N ATOM 240 CA ASP A 14 -0.820 -13.220 -17.454 1.00 34.22 C ATOM 241 C ASP A 14 0.255 -13.174 -18.535 1.00 54.12 C ATOM 242 O ASP A 14 1.015 -14.126 -18.710 1.00 20.14 O ATOM 243 CB ASP A 14 -1.448 -14.614 -17.401 1.00 13.22 C ATOM 244 CG ASP A 14 -1.684 -15.089 -15.981 1.00 12.25 C ATOM 245 OD1 ASP A 14 -2.237 -14.308 -15.178 1.00 74.14 O ATOM 246 OD2 ASP A 14 -1.315 -16.241 -15.671 1.00 23.12 O ATOM 0 H ASP A 14 -2.360 -12.336 -18.569 1.00 14.31 H new ATOM 0 HA ASP A 14 -0.353 -13.003 -16.493 1.00 34.22 H new ATOM 0 HB2 ASP A 14 -2.396 -14.603 -17.940 1.00 13.22 H new ATOM 0 HB3 ASP A 14 -0.798 -15.322 -17.915 1.00 13.22 H new ATOM 251 N SER A 15 0.311 -12.061 -19.259 1.00 51.33 N ATOM 252 CA SER A 15 1.289 -11.892 -20.327 1.00 65.22 C ATOM 253 C SER A 15 2.589 -12.618 -19.993 1.00 1.03 C ATOM 254 O SER A 15 3.124 -13.366 -20.812 1.00 11.34 O ATOM 255 CB SER A 15 1.568 -10.406 -20.563 1.00 31.42 C ATOM 256 OG SER A 15 1.960 -9.764 -19.362 1.00 32.32 O ATOM 0 H SER A 15 -0.310 -11.263 -19.125 1.00 51.33 H new ATOM 0 HA SER A 15 0.874 -12.325 -21.237 1.00 65.22 H new ATOM 0 HB2 SER A 15 2.352 -10.294 -21.312 1.00 31.42 H new ATOM 0 HB3 SER A 15 0.676 -9.924 -20.962 1.00 31.42 H new ATOM 0 HG SER A 15 2.134 -8.816 -19.540 1.00 32.32 H new ATOM 262 N ASP A 16 3.091 -12.392 -18.784 1.00 3.41 N ATOM 263 CA ASP A 16 4.328 -13.024 -18.339 1.00 13.11 C ATOM 264 C ASP A 16 4.408 -14.466 -18.830 1.00 41.13 C ATOM 265 O ASP A 16 5.351 -14.843 -19.526 1.00 74.43 O ATOM 266 CB ASP A 16 4.425 -12.986 -16.813 1.00 54.20 C ATOM 267 CG ASP A 16 4.656 -11.585 -16.282 1.00 51.33 C ATOM 268 OD1 ASP A 16 4.221 -10.619 -16.945 1.00 62.53 O ATOM 269 OD2 ASP A 16 5.271 -11.453 -15.204 1.00 30.33 O ATOM 0 H ASP A 16 2.661 -11.776 -18.094 1.00 3.41 H new ATOM 0 HA ASP A 16 5.164 -12.468 -18.762 1.00 13.11 H new ATOM 0 HB2 ASP A 16 3.507 -13.387 -16.383 1.00 54.20 H new ATOM 0 HB3 ASP A 16 5.239 -13.634 -16.487 1.00 54.20 H new ATOM 274 N SER A 17 3.414 -15.267 -18.462 1.00 74.43 N ATOM 275 CA SER A 17 3.374 -16.669 -18.862 1.00 21.34 C ATOM 276 C SER A 17 3.316 -16.800 -20.381 1.00 24.25 C ATOM 277 O SER A 17 2.692 -15.987 -21.061 1.00 41.44 O ATOM 278 CB SER A 17 2.167 -17.367 -18.232 1.00 52.00 C ATOM 279 OG SER A 17 2.570 -18.258 -17.206 1.00 41.24 O ATOM 0 H SER A 17 2.625 -14.970 -17.888 1.00 74.43 H new ATOM 0 HA SER A 17 4.287 -17.148 -18.508 1.00 21.34 H new ATOM 0 HB2 SER A 17 1.485 -16.622 -17.823 1.00 52.00 H new ATOM 0 HB3 SER A 17 1.619 -17.915 -18.999 1.00 52.00 H new ATOM 0 HG SER A 17 1.798 -18.480 -16.644 1.00 41.24 H new ATOM 285 N SER A 18 3.973 -17.830 -20.905 1.00 35.52 N ATOM 286 CA SER A 18 4.000 -18.067 -22.343 1.00 71.24 C ATOM 287 C SER A 18 2.686 -18.679 -22.818 1.00 74.43 C ATOM 288 O SER A 18 1.950 -19.305 -22.054 1.00 3.52 O ATOM 289 CB SER A 18 5.166 -18.988 -22.708 1.00 32.21 C ATOM 290 OG SER A 18 6.402 -18.301 -22.631 1.00 4.53 O ATOM 0 H SER A 18 4.493 -18.513 -20.355 1.00 35.52 H new ATOM 0 HA SER A 18 4.135 -17.107 -22.842 1.00 71.24 H new ATOM 0 HB2 SER A 18 5.181 -19.845 -22.035 1.00 32.21 H new ATOM 0 HB3 SER A 18 5.025 -19.377 -23.717 1.00 32.21 H new ATOM 0 HG SER A 18 7.131 -18.912 -22.867 1.00 4.53 H new ATOM 296 N PRO A 19 2.382 -18.496 -24.112 1.00 32.12 N ATOM 297 CA PRO A 19 1.156 -19.023 -24.719 1.00 41.24 C ATOM 298 C PRO A 19 1.175 -20.543 -24.838 1.00 13.11 C ATOM 299 O PRO A 19 2.031 -21.210 -24.257 1.00 50.13 O ATOM 300 CB PRO A 19 1.143 -18.378 -26.108 1.00 22.33 C ATOM 301 CG PRO A 19 2.574 -18.086 -26.403 1.00 71.42 C ATOM 302 CD PRO A 19 3.212 -17.761 -25.081 1.00 32.20 C ATOM 0 HA PRO A 19 0.274 -18.796 -24.120 1.00 41.24 H new ATOM 0 HB2 PRO A 19 0.714 -19.049 -26.852 1.00 22.33 H new ATOM 0 HB3 PRO A 19 0.543 -17.468 -26.116 1.00 22.33 H new ATOM 0 HG2 PRO A 19 3.059 -18.943 -26.870 1.00 71.42 H new ATOM 0 HG3 PRO A 19 2.667 -17.250 -27.097 1.00 71.42 H new ATOM 0 HD2 PRO A 19 4.252 -18.085 -25.046 1.00 32.20 H new ATOM 0 HD3 PRO A 19 3.205 -16.689 -24.884 1.00 32.20 H new ATOM 310 N SER A 20 0.225 -21.085 -25.594 1.00 1.40 N ATOM 311 CA SER A 20 0.131 -22.527 -25.786 1.00 32.00 C ATOM 312 C SER A 20 -0.224 -23.227 -24.478 1.00 34.12 C ATOM 313 O SER A 20 0.406 -24.214 -24.098 1.00 13.00 O ATOM 314 CB SER A 20 1.450 -23.078 -26.330 1.00 43.33 C ATOM 315 OG SER A 20 1.322 -24.440 -26.697 1.00 75.35 O ATOM 0 H SER A 20 -0.490 -20.547 -26.083 1.00 1.40 H new ATOM 0 HA SER A 20 -0.661 -22.721 -26.509 1.00 32.00 H new ATOM 0 HB2 SER A 20 1.763 -22.493 -27.195 1.00 43.33 H new ATOM 0 HB3 SER A 20 2.230 -22.973 -25.576 1.00 43.33 H new ATOM 0 HG SER A 20 1.070 -24.968 -25.911 1.00 75.35 H new ATOM 321 N SER A 21 -1.239 -22.708 -23.793 1.00 24.42 N ATOM 322 CA SER A 21 -1.677 -23.280 -22.525 1.00 24.30 C ATOM 323 C SER A 21 -2.847 -24.236 -22.736 1.00 14.35 C ATOM 324 O SER A 21 -3.988 -23.808 -22.914 1.00 43.20 O ATOM 325 CB SER A 21 -2.078 -22.170 -21.552 1.00 54.01 C ATOM 326 OG SER A 21 -0.947 -21.430 -21.127 1.00 61.04 O ATOM 0 H SER A 21 -1.773 -21.893 -24.095 1.00 24.42 H new ATOM 0 HA SER A 21 -0.845 -23.841 -22.100 1.00 24.30 H new ATOM 0 HB2 SER A 21 -2.794 -21.502 -22.032 1.00 54.01 H new ATOM 0 HB3 SER A 21 -2.578 -22.604 -20.686 1.00 54.01 H new ATOM 0 HG SER A 21 -1.013 -21.255 -20.165 1.00 61.04 H new ATOM 332 N SER A 22 -2.556 -25.532 -22.713 1.00 71.43 N ATOM 333 CA SER A 22 -3.583 -26.550 -22.906 1.00 1.25 C ATOM 334 C SER A 22 -3.710 -27.433 -21.668 1.00 74.43 C ATOM 335 O SER A 22 -4.811 -27.832 -21.288 1.00 20.43 O ATOM 336 CB SER A 22 -3.257 -27.409 -24.128 1.00 64.25 C ATOM 337 OG SER A 22 -2.086 -28.178 -23.914 1.00 4.20 O ATOM 0 H SER A 22 -1.618 -25.903 -22.563 1.00 71.43 H new ATOM 0 HA SER A 22 -4.535 -26.045 -23.071 1.00 1.25 H new ATOM 0 HB2 SER A 22 -4.096 -28.071 -24.345 1.00 64.25 H new ATOM 0 HB3 SER A 22 -3.121 -26.769 -25.000 1.00 64.25 H new ATOM 0 HG SER A 22 -1.900 -28.720 -24.709 1.00 4.20 H new ATOM 343 N SER A 23 -2.576 -27.735 -21.045 1.00 21.30 N ATOM 344 CA SER A 23 -2.559 -28.575 -19.853 1.00 2.11 C ATOM 345 C SER A 23 -3.252 -27.877 -18.687 1.00 0.13 C ATOM 346 O SER A 23 -3.851 -26.813 -18.851 1.00 22.32 O ATOM 347 CB SER A 23 -1.119 -28.924 -19.470 1.00 73.31 C ATOM 348 OG SER A 23 -0.569 -29.873 -20.367 1.00 70.22 O ATOM 0 H SER A 23 -1.657 -27.411 -21.346 1.00 21.30 H new ATOM 0 HA SER A 23 -3.101 -29.494 -20.078 1.00 2.11 H new ATOM 0 HB2 SER A 23 -0.509 -28.020 -19.473 1.00 73.31 H new ATOM 0 HB3 SER A 23 -1.095 -29.322 -18.455 1.00 73.31 H new ATOM 0 HG SER A 23 0.352 -30.078 -20.102 1.00 70.22 H new ATOM 354 N THR A 24 -3.167 -28.483 -17.507 1.00 24.42 N ATOM 355 CA THR A 24 -3.786 -27.923 -16.313 1.00 3.45 C ATOM 356 C THR A 24 -3.198 -26.556 -15.979 1.00 31.23 C ATOM 357 O THR A 24 -3.480 -25.990 -14.922 1.00 44.12 O ATOM 358 CB THR A 24 -3.611 -28.855 -15.099 1.00 2.54 C ATOM 359 OG1 THR A 24 -2.452 -29.677 -15.275 1.00 70.14 O ATOM 360 CG2 THR A 24 -4.838 -29.733 -14.909 1.00 53.23 C ATOM 0 H THR A 24 -2.675 -29.363 -17.353 1.00 24.42 H new ATOM 0 HA THR A 24 -4.849 -27.816 -16.529 1.00 3.45 H new ATOM 0 HB THR A 24 -3.485 -28.237 -14.210 1.00 2.54 H new ATOM 0 HG1 THR A 24 -2.347 -30.265 -14.498 1.00 70.14 H new ATOM 0 HG21 THR A 24 -4.691 -30.382 -14.046 1.00 53.23 H new ATOM 0 HG22 THR A 24 -5.713 -29.104 -14.745 1.00 53.23 H new ATOM 0 HG23 THR A 24 -4.991 -30.343 -15.800 1.00 53.23 H new ATOM 368 N TYR A 25 -2.381 -26.031 -16.885 1.00 74.32 N ATOM 369 CA TYR A 25 -1.752 -24.731 -16.686 1.00 34.04 C ATOM 370 C TYR A 25 -2.657 -23.807 -15.876 1.00 22.03 C ATOM 371 O TYR A 25 -2.199 -23.103 -14.976 1.00 4.53 O ATOM 372 CB TYR A 25 -1.423 -24.088 -18.034 1.00 15.22 C ATOM 373 CG TYR A 25 -1.283 -22.584 -17.969 1.00 54.31 C ATOM 374 CD1 TYR A 25 -0.060 -21.992 -17.682 1.00 43.34 C ATOM 375 CD2 TYR A 25 -2.375 -21.754 -18.196 1.00 32.54 C ATOM 376 CE1 TYR A 25 0.072 -20.618 -17.621 1.00 65.05 C ATOM 377 CE2 TYR A 25 -2.252 -20.380 -18.138 1.00 40.32 C ATOM 378 CZ TYR A 25 -1.026 -19.816 -17.850 1.00 73.33 C ATOM 379 OH TYR A 25 -0.898 -18.447 -17.792 1.00 35.41 O ATOM 0 H TYR A 25 -2.139 -26.486 -17.765 1.00 74.32 H new ATOM 0 HA TYR A 25 -0.827 -24.884 -16.129 1.00 34.04 H new ATOM 0 HB2 TYR A 25 -0.495 -24.515 -18.414 1.00 15.22 H new ATOM 0 HB3 TYR A 25 -2.206 -24.341 -18.749 1.00 15.22 H new ATOM 0 HD1 TYR A 25 0.803 -22.616 -17.503 1.00 43.34 H new ATOM 0 HD2 TYR A 25 -3.336 -22.192 -18.422 1.00 32.54 H new ATOM 0 HE1 TYR A 25 1.030 -20.174 -17.395 1.00 65.05 H new ATOM 0 HE2 TYR A 25 -3.111 -19.750 -18.317 1.00 40.32 H new ATOM 0 HH TYR A 25 -0.385 -18.200 -16.995 1.00 35.41 H new ATOM 389 N CYS A 26 -3.945 -23.816 -16.202 1.00 1.11 N ATOM 390 CA CYS A 26 -4.916 -22.980 -15.507 1.00 31.04 C ATOM 391 C CYS A 26 -5.171 -23.501 -14.095 1.00 61.53 C ATOM 392 O CYS A 26 -4.964 -22.790 -13.113 1.00 70.31 O ATOM 393 CB CYS A 26 -6.230 -22.930 -16.289 1.00 31.33 C ATOM 394 SG CYS A 26 -6.270 -21.661 -17.595 1.00 71.43 S ATOM 0 H CYS A 26 -4.341 -24.394 -16.944 1.00 1.11 H new ATOM 0 HA CYS A 26 -4.505 -21.973 -15.435 1.00 31.04 H new ATOM 0 HB2 CYS A 26 -6.409 -23.906 -16.740 1.00 31.33 H new ATOM 0 HB3 CYS A 26 -7.048 -22.745 -15.593 1.00 31.33 H new ATOM 399 N ASN A 27 -5.621 -24.749 -14.004 1.00 13.45 N ATOM 400 CA ASN A 27 -5.905 -25.366 -12.713 1.00 2.10 C ATOM 401 C ASN A 27 -4.963 -24.834 -11.637 1.00 61.10 C ATOM 402 O ASN A 27 -5.399 -24.451 -10.552 1.00 23.44 O ATOM 403 CB ASN A 27 -5.776 -26.887 -12.813 1.00 31.24 C ATOM 404 CG ASN A 27 -5.793 -27.559 -11.453 1.00 70.12 C ATOM 405 OD1 ASN A 27 -5.832 -26.892 -10.419 1.00 71.12 O ATOM 406 ND2 ASN A 27 -5.763 -28.887 -11.449 1.00 53.32 N ATOM 0 H ASN A 27 -5.797 -25.352 -14.808 1.00 13.45 H new ATOM 0 HA ASN A 27 -6.927 -25.112 -12.433 1.00 2.10 H new ATOM 0 HB2 ASN A 27 -6.592 -27.279 -13.419 1.00 31.24 H new ATOM 0 HB3 ASN A 27 -4.848 -27.137 -13.327 1.00 31.24 H new ATOM 0 HD21 ASN A 27 -5.772 -29.395 -10.564 1.00 53.32 H new ATOM 0 HD22 ASN A 27 -5.731 -29.399 -12.331 1.00 53.32 H new ATOM 413 N GLN A 28 -3.671 -24.813 -11.947 1.00 64.32 N ATOM 414 CA GLN A 28 -2.668 -24.329 -11.006 1.00 45.55 C ATOM 415 C GLN A 28 -2.524 -22.813 -11.097 1.00 1.12 C ATOM 416 O GLN A 28 -2.713 -22.102 -10.110 1.00 60.12 O ATOM 417 CB GLN A 28 -1.319 -24.998 -11.277 1.00 3.50 C ATOM 418 CG GLN A 28 -1.200 -26.391 -10.681 1.00 12.23 C ATOM 419 CD GLN A 28 -1.780 -27.463 -11.583 1.00 4.24 C ATOM 420 OE1 GLN A 28 -2.576 -28.294 -11.146 1.00 13.12 O ATOM 421 NE2 GLN A 28 -1.382 -27.450 -12.849 1.00 43.44 N ATOM 0 H GLN A 28 -3.294 -25.125 -12.842 1.00 64.32 H new ATOM 0 HA GLN A 28 -2.997 -24.585 -9.999 1.00 45.55 H new ATOM 0 HB2 GLN A 28 -1.163 -25.058 -12.354 1.00 3.50 H new ATOM 0 HB3 GLN A 28 -0.524 -24.370 -10.874 1.00 3.50 H new ATOM 0 HG2 GLN A 28 -0.150 -26.612 -10.490 1.00 12.23 H new ATOM 0 HG3 GLN A 28 -1.711 -26.415 -9.719 1.00 12.23 H new ATOM 0 HE21 GLN A 28 -0.720 -26.742 -13.168 1.00 43.44 H new ATOM 0 HE22 GLN A 28 -1.738 -28.148 -13.503 1.00 43.44 H new ATOM 430 N MET A 29 -2.188 -22.325 -12.287 1.00 31.24 N ATOM 431 CA MET A 29 -2.020 -20.893 -12.505 1.00 61.23 C ATOM 432 C MET A 29 -2.961 -20.092 -11.611 1.00 23.44 C ATOM 433 O MET A 29 -2.517 -19.295 -10.784 1.00 75.25 O ATOM 434 CB MET A 29 -2.275 -20.546 -13.973 1.00 72.33 C ATOM 435 CG MET A 29 -1.051 -20.714 -14.859 1.00 73.51 C ATOM 436 SD MET A 29 -0.125 -19.181 -15.062 1.00 25.24 S ATOM 437 CE MET A 29 0.447 -18.907 -13.386 1.00 62.44 C ATOM 0 H MET A 29 -2.027 -22.900 -13.114 1.00 31.24 H new ATOM 0 HA MET A 29 -0.994 -20.630 -12.249 1.00 61.23 H new ATOM 0 HB2 MET A 29 -3.078 -21.178 -14.353 1.00 72.33 H new ATOM 0 HB3 MET A 29 -2.622 -19.515 -14.039 1.00 72.33 H new ATOM 0 HG2 MET A 29 -0.398 -21.474 -14.430 1.00 73.51 H new ATOM 0 HG3 MET A 29 -1.363 -21.078 -15.838 1.00 73.51 H new ATOM 0 HE1 MET A 29 1.322 -18.257 -13.402 1.00 62.44 H new ATOM 0 HE2 MET A 29 -0.345 -18.436 -12.804 1.00 62.44 H new ATOM 0 HE3 MET A 29 0.713 -19.861 -12.932 1.00 62.44 H new ATOM 447 N MET A 30 -4.261 -20.310 -11.781 1.00 64.13 N ATOM 448 CA MET A 30 -5.263 -19.609 -10.988 1.00 12.41 C ATOM 449 C MET A 30 -4.945 -19.708 -9.499 1.00 55.13 C ATOM 450 O MET A 30 -5.046 -18.724 -8.767 1.00 2.42 O ATOM 451 CB MET A 30 -6.655 -20.181 -11.264 1.00 22.14 C ATOM 452 CG MET A 30 -7.425 -19.419 -12.330 1.00 70.40 C ATOM 453 SD MET A 30 -8.242 -17.949 -11.680 1.00 62.21 S ATOM 454 CE MET A 30 -7.014 -16.695 -12.035 1.00 4.20 C ATOM 0 H MET A 30 -4.645 -20.967 -12.461 1.00 64.13 H new ATOM 0 HA MET A 30 -5.247 -18.558 -11.275 1.00 12.41 H new ATOM 0 HB2 MET A 30 -6.556 -21.222 -11.573 1.00 22.14 H new ATOM 0 HB3 MET A 30 -7.231 -20.176 -10.338 1.00 22.14 H new ATOM 0 HG2 MET A 30 -6.742 -19.127 -13.127 1.00 70.40 H new ATOM 0 HG3 MET A 30 -8.171 -20.078 -12.775 1.00 70.40 H new ATOM 0 HE1 MET A 30 -7.342 -15.739 -11.628 1.00 4.20 H new ATOM 0 HE2 MET A 30 -6.064 -16.976 -11.580 1.00 4.20 H new ATOM 0 HE3 MET A 30 -6.887 -16.605 -13.114 1.00 4.20 H new ATOM 464 N ARG A 31 -4.562 -20.902 -9.059 1.00 15.11 N ATOM 465 CA ARG A 31 -4.232 -21.129 -7.657 1.00 63.23 C ATOM 466 C ARG A 31 -3.033 -20.283 -7.237 1.00 71.45 C ATOM 467 O ARG A 31 -3.081 -19.578 -6.230 1.00 31.14 O ATOM 468 CB ARG A 31 -3.934 -22.610 -7.415 1.00 74.11 C ATOM 469 CG ARG A 31 -3.425 -22.908 -6.015 1.00 4.15 C ATOM 470 CD ARG A 31 -2.041 -23.537 -6.048 1.00 23.45 C ATOM 471 NE ARG A 31 -1.842 -24.481 -4.950 1.00 51.53 N ATOM 472 CZ ARG A 31 -0.647 -24.827 -4.486 1.00 63.13 C ATOM 473 NH1 ARG A 31 0.451 -24.310 -5.021 1.00 70.43 N ATOM 474 NH2 ARG A 31 -0.547 -25.692 -3.485 1.00 15.22 N ATOM 0 H ARG A 31 -4.473 -21.727 -9.653 1.00 15.11 H new ATOM 0 HA ARG A 31 -5.092 -20.835 -7.055 1.00 63.23 H new ATOM 0 HB2 ARG A 31 -4.841 -23.188 -7.593 1.00 74.11 H new ATOM 0 HB3 ARG A 31 -3.194 -22.946 -8.141 1.00 74.11 H new ATOM 0 HG2 ARG A 31 -3.393 -21.986 -5.434 1.00 4.15 H new ATOM 0 HG3 ARG A 31 -4.119 -23.579 -5.509 1.00 4.15 H new ATOM 0 HD2 ARG A 31 -1.899 -24.051 -6.998 1.00 23.45 H new ATOM 0 HD3 ARG A 31 -1.285 -22.753 -5.994 1.00 23.45 H new ATOM 0 HE ARG A 31 -2.666 -24.897 -4.516 1.00 51.53 H new ATOM 0 HH11 ARG A 31 0.379 -23.645 -5.791 1.00 70.43 H new ATOM 0 HH12 ARG A 31 1.368 -24.578 -4.663 1.00 70.43 H new ATOM 0 HH21 ARG A 31 -1.389 -26.092 -3.071 1.00 15.22 H new ATOM 0 HH22 ARG A 31 0.372 -25.957 -3.130 1.00 15.22 H new ATOM 488 N ARG A 32 -1.959 -20.360 -8.017 1.00 33.12 N ATOM 489 CA ARG A 32 -0.748 -19.603 -7.725 1.00 61.20 C ATOM 490 C ARG A 32 -1.064 -18.122 -7.537 1.00 71.32 C ATOM 491 O ARG A 32 -0.357 -17.412 -6.822 1.00 61.31 O ATOM 492 CB ARG A 32 0.273 -19.779 -8.851 1.00 75.01 C ATOM 493 CG ARG A 32 1.650 -20.200 -8.365 1.00 12.42 C ATOM 494 CD ARG A 32 2.700 -19.149 -8.690 1.00 22.21 C ATOM 495 NE ARG A 32 3.312 -19.373 -9.997 1.00 54.12 N ATOM 496 CZ ARG A 32 4.492 -18.877 -10.351 1.00 10.30 C ATOM 497 NH1 ARG A 32 5.185 -18.133 -9.499 1.00 75.23 N ATOM 498 NH2 ARG A 32 4.982 -19.125 -11.559 1.00 1.41 N ATOM 0 H ARG A 32 -1.903 -20.939 -8.855 1.00 33.12 H new ATOM 0 HA ARG A 32 -0.325 -19.987 -6.797 1.00 61.20 H new ATOM 0 HB2 ARG A 32 -0.099 -20.525 -9.553 1.00 75.01 H new ATOM 0 HB3 ARG A 32 0.362 -18.841 -9.399 1.00 75.01 H new ATOM 0 HG2 ARG A 32 1.622 -20.367 -7.288 1.00 12.42 H new ATOM 0 HG3 ARG A 32 1.926 -21.148 -8.827 1.00 12.42 H new ATOM 0 HD2 ARG A 32 2.242 -18.160 -8.669 1.00 22.21 H new ATOM 0 HD3 ARG A 32 3.473 -19.159 -7.921 1.00 22.21 H new ATOM 0 HE ARG A 32 2.805 -19.942 -10.675 1.00 54.12 H new ATOM 0 HH11 ARG A 32 4.812 -17.941 -8.569 1.00 75.23 H new ATOM 0 HH12 ARG A 32 6.091 -17.753 -9.773 1.00 75.23 H new ATOM 0 HH21 ARG A 32 4.452 -19.697 -12.217 1.00 1.41 H new ATOM 0 HH22 ARG A 32 5.888 -18.744 -11.830 1.00 1.41 H new ATOM 512 N ARG A 33 -2.130 -17.663 -8.185 1.00 32.44 N ATOM 513 CA ARG A 33 -2.539 -16.267 -8.090 1.00 60.23 C ATOM 514 C ARG A 33 -3.357 -16.025 -6.826 1.00 14.55 C ATOM 515 O ARG A 33 -3.989 -14.980 -6.674 1.00 53.13 O ATOM 516 CB ARG A 33 -3.353 -15.868 -9.322 1.00 54.31 C ATOM 517 CG ARG A 33 -2.633 -16.120 -10.637 1.00 10.15 C ATOM 518 CD ARG A 33 -1.521 -15.108 -10.866 1.00 14.13 C ATOM 519 NE ARG A 33 -0.532 -15.590 -11.826 1.00 2.34 N ATOM 520 CZ ARG A 33 0.722 -15.152 -11.871 1.00 75.03 C ATOM 521 NH1 ARG A 33 1.136 -14.228 -11.016 1.00 1.03 N ATOM 522 NH2 ARG A 33 1.563 -15.639 -12.774 1.00 22.30 N ATOM 0 H ARG A 33 -2.726 -18.238 -8.781 1.00 32.44 H new ATOM 0 HA ARG A 33 -1.640 -15.653 -8.042 1.00 60.23 H new ATOM 0 HB2 ARG A 33 -4.293 -16.421 -9.321 1.00 54.31 H new ATOM 0 HB3 ARG A 33 -3.605 -14.810 -9.253 1.00 54.31 H new ATOM 0 HG2 ARG A 33 -2.216 -17.127 -10.638 1.00 10.15 H new ATOM 0 HG3 ARG A 33 -3.347 -16.070 -11.459 1.00 10.15 H new ATOM 0 HD2 ARG A 33 -1.950 -14.173 -11.226 1.00 14.13 H new ATOM 0 HD3 ARG A 33 -1.029 -14.889 -9.918 1.00 14.13 H new ATOM 0 HE ARG A 33 -0.819 -16.301 -12.498 1.00 2.34 H new ATOM 0 HH11 ARG A 33 0.492 -13.851 -10.321 1.00 1.03 H new ATOM 0 HH12 ARG A 33 2.099 -13.894 -11.053 1.00 1.03 H new ATOM 0 HH21 ARG A 33 1.247 -16.350 -13.434 1.00 22.30 H new ATOM 0 HH22 ARG A 33 2.525 -15.303 -12.808 1.00 22.30 H new ATOM 536 N ASN A 34 -3.341 -16.998 -5.920 1.00 40.34 N ATOM 537 CA ASN A 34 -4.083 -16.890 -4.669 1.00 65.42 C ATOM 538 C ASN A 34 -5.572 -16.695 -4.935 1.00 11.12 C ATOM 539 O ASN A 34 -6.206 -15.815 -4.354 1.00 12.24 O ATOM 540 CB ASN A 34 -3.545 -15.728 -3.832 1.00 15.20 C ATOM 541 CG ASN A 34 -3.697 -15.969 -2.343 1.00 34.34 C ATOM 542 OD1 ASN A 34 -2.720 -16.235 -1.643 1.00 11.13 O ATOM 543 ND2 ASN A 34 -4.928 -15.878 -1.851 1.00 63.00 N ATOM 0 H ASN A 34 -2.823 -17.870 -6.029 1.00 40.34 H new ATOM 0 HA ASN A 34 -3.951 -17.819 -4.115 1.00 65.42 H new ATOM 0 HB2 ASN A 34 -2.492 -15.572 -4.066 1.00 15.20 H new ATOM 0 HB3 ASN A 34 -4.071 -14.813 -4.105 1.00 15.20 H new ATOM 0 HD21 ASN A 34 -5.092 -16.031 -0.856 1.00 63.00 H new ATOM 0 HD22 ASN A 34 -5.709 -15.655 -2.468 1.00 63.00 H new ATOM 550 N MET A 35 -6.124 -17.522 -5.816 1.00 70.42 N ATOM 551 CA MET A 35 -7.540 -17.442 -6.157 1.00 44.23 C ATOM 552 C MET A 35 -8.307 -18.627 -5.579 1.00 4.43 C ATOM 553 O MET A 35 -9.515 -18.548 -5.356 1.00 33.51 O ATOM 554 CB MET A 35 -7.718 -17.396 -7.676 1.00 34.00 C ATOM 555 CG MET A 35 -7.441 -16.029 -8.280 1.00 4.13 C ATOM 556 SD MET A 35 -8.430 -14.723 -7.527 1.00 74.21 S ATOM 557 CE MET A 35 -7.211 -13.937 -6.476 1.00 73.24 C ATOM 0 H MET A 35 -5.613 -18.255 -6.307 1.00 70.42 H new ATOM 0 HA MET A 35 -7.942 -16.526 -5.723 1.00 44.23 H new ATOM 0 HB2 MET A 35 -7.052 -18.128 -8.134 1.00 34.00 H new ATOM 0 HB3 MET A 35 -8.737 -17.693 -7.923 1.00 34.00 H new ATOM 0 HG2 MET A 35 -6.384 -15.792 -8.163 1.00 4.13 H new ATOM 0 HG3 MET A 35 -7.644 -16.061 -9.351 1.00 4.13 H new ATOM 0 HE1 MET A 35 -7.570 -13.928 -5.447 1.00 73.24 H new ATOM 0 HE2 MET A 35 -6.274 -14.491 -6.529 1.00 73.24 H new ATOM 0 HE3 MET A 35 -7.047 -12.913 -6.812 1.00 73.24 H new ATOM 567 N THR A 36 -7.597 -19.725 -5.337 1.00 42.43 N ATOM 568 CA THR A 36 -8.211 -20.926 -4.786 1.00 40.22 C ATOM 569 C THR A 36 -8.079 -20.964 -3.268 1.00 41.10 C ATOM 570 O THR A 36 -8.253 -22.012 -2.648 1.00 20.34 O ATOM 571 CB THR A 36 -7.580 -22.201 -5.377 1.00 53.11 C ATOM 572 OG1 THR A 36 -6.247 -22.363 -4.881 1.00 42.14 O ATOM 573 CG2 THR A 36 -7.558 -22.139 -6.897 1.00 22.11 C ATOM 0 H THR A 36 -6.596 -19.807 -5.514 1.00 42.43 H new ATOM 0 HA THR A 36 -9.267 -20.893 -5.055 1.00 40.22 H new ATOM 0 HB THR A 36 -8.186 -23.055 -5.073 1.00 53.11 H new ATOM 0 HG1 THR A 36 -6.134 -23.274 -4.538 1.00 42.14 H new ATOM 0 HG21 THR A 36 -7.108 -23.050 -7.292 1.00 22.11 H new ATOM 0 HG22 THR A 36 -8.577 -22.046 -7.272 1.00 22.11 H new ATOM 0 HG23 THR A 36 -6.973 -21.277 -7.218 1.00 22.11 H new ATOM 581 N GLN A 37 -7.771 -19.814 -2.676 1.00 70.25 N ATOM 582 CA GLN A 37 -7.616 -19.718 -1.230 1.00 1.41 C ATOM 583 C GLN A 37 -8.972 -19.580 -0.545 1.00 4.50 C ATOM 584 O GLN A 37 -9.625 -18.542 -0.642 1.00 43.54 O ATOM 585 CB GLN A 37 -6.726 -18.527 -0.870 1.00 24.04 C ATOM 586 CG GLN A 37 -5.287 -18.913 -0.567 1.00 44.15 C ATOM 587 CD GLN A 37 -4.803 -18.368 0.762 1.00 11.00 C ATOM 588 OE1 GLN A 37 -5.427 -17.482 1.347 1.00 41.34 O ATOM 589 NE2 GLN A 37 -3.686 -18.896 1.248 1.00 61.53 N ATOM 0 H GLN A 37 -7.624 -18.937 -3.176 1.00 70.25 H new ATOM 0 HA GLN A 37 -7.144 -20.635 -0.878 1.00 1.41 H new ATOM 0 HB2 GLN A 37 -6.736 -17.814 -1.694 1.00 24.04 H new ATOM 0 HB3 GLN A 37 -7.147 -18.018 -0.003 1.00 24.04 H new ATOM 0 HG2 GLN A 37 -5.200 -19.999 -0.563 1.00 44.15 H new ATOM 0 HG3 GLN A 37 -4.641 -18.544 -1.363 1.00 44.15 H new ATOM 0 HE21 GLN A 37 -3.201 -19.629 0.730 1.00 61.53 H new ATOM 0 HE22 GLN A 37 -3.313 -18.569 2.139 1.00 61.53 H new ATOM 598 N GLY A 38 -9.389 -20.634 0.148 1.00 32.54 N ATOM 599 CA GLY A 38 -10.665 -20.610 0.839 1.00 74.42 C ATOM 600 C GLY A 38 -11.754 -21.332 0.070 1.00 32.51 C ATOM 601 O GLY A 38 -12.501 -22.129 0.639 1.00 12.20 O ATOM 0 H GLY A 38 -8.866 -21.505 0.244 1.00 32.54 H new ATOM 0 HA2 GLY A 38 -10.552 -21.070 1.821 1.00 74.42 H new ATOM 0 HA3 GLY A 38 -10.966 -19.575 1.004 1.00 74.42 H new ATOM 605 N ARG A 39 -11.846 -21.053 -1.226 1.00 31.21 N ATOM 606 CA ARG A 39 -12.854 -21.680 -2.073 1.00 3.20 C ATOM 607 C ARG A 39 -12.312 -21.914 -3.480 1.00 23.41 C ATOM 608 O ARG A 39 -11.439 -21.184 -3.951 1.00 31.15 O ATOM 609 CB ARG A 39 -14.110 -20.809 -2.137 1.00 43.24 C ATOM 610 CG ARG A 39 -13.875 -19.369 -1.710 1.00 32.22 C ATOM 611 CD ARG A 39 -14.786 -18.410 -2.460 1.00 44.23 C ATOM 612 NE ARG A 39 -14.735 -17.060 -1.905 1.00 34.13 N ATOM 613 CZ ARG A 39 -13.687 -16.254 -2.026 1.00 4.02 C ATOM 614 NH1 ARG A 39 -12.607 -16.659 -2.680 1.00 21.20 N ATOM 615 NH2 ARG A 39 -13.717 -15.039 -1.492 1.00 62.35 N ATOM 0 H ARG A 39 -11.235 -20.397 -1.713 1.00 31.21 H new ATOM 0 HA ARG A 39 -13.111 -22.645 -1.636 1.00 3.20 H new ATOM 0 HB2 ARG A 39 -14.497 -20.818 -3.156 1.00 43.24 H new ATOM 0 HB3 ARG A 39 -14.879 -21.247 -1.500 1.00 43.24 H new ATOM 0 HG2 ARG A 39 -14.048 -19.273 -0.638 1.00 32.22 H new ATOM 0 HG3 ARG A 39 -12.834 -19.100 -1.890 1.00 32.22 H new ATOM 0 HD2 ARG A 39 -14.496 -18.381 -3.510 1.00 44.23 H new ATOM 0 HD3 ARG A 39 -15.811 -18.779 -2.422 1.00 44.23 H new ATOM 0 HE ARG A 39 -15.550 -16.717 -1.396 1.00 34.13 H new ATOM 0 HH11 ARG A 39 -12.580 -17.592 -3.092 1.00 21.20 H new ATOM 0 HH12 ARG A 39 -11.803 -16.038 -2.771 1.00 21.20 H new ATOM 0 HH21 ARG A 39 -14.546 -14.724 -0.988 1.00 62.35 H new ATOM 0 HH22 ARG A 39 -12.911 -14.421 -1.586 1.00 62.35 H new ATOM 629 N CYS A 40 -12.834 -22.938 -4.147 1.00 33.35 N ATOM 630 CA CYS A 40 -12.403 -23.271 -5.499 1.00 12.11 C ATOM 631 C CYS A 40 -13.061 -22.349 -6.522 1.00 32.23 C ATOM 632 O CYS A 40 -14.277 -22.381 -6.711 1.00 53.21 O ATOM 633 CB CYS A 40 -12.739 -24.729 -5.820 1.00 3.25 C ATOM 634 SG CYS A 40 -11.286 -25.824 -5.909 1.00 43.21 S ATOM 0 H CYS A 40 -13.557 -23.552 -3.772 1.00 33.35 H new ATOM 0 HA CYS A 40 -11.323 -23.134 -5.553 1.00 12.11 H new ATOM 0 HB2 CYS A 40 -13.421 -25.109 -5.060 1.00 3.25 H new ATOM 0 HB3 CYS A 40 -13.269 -24.768 -6.772 1.00 3.25 H new ATOM 639 N LYS A 41 -12.249 -21.529 -7.179 1.00 41.32 N ATOM 640 CA LYS A 41 -12.750 -20.599 -8.184 1.00 44.42 C ATOM 641 C LYS A 41 -13.607 -21.323 -9.217 1.00 33.02 C ATOM 642 O LYS A 41 -13.221 -22.355 -9.766 1.00 20.00 O ATOM 643 CB LYS A 41 -11.584 -19.891 -8.880 1.00 33.04 C ATOM 644 CG LYS A 41 -11.893 -18.458 -9.277 1.00 2.21 C ATOM 645 CD LYS A 41 -12.354 -17.636 -8.085 1.00 55.13 C ATOM 646 CE LYS A 41 -11.496 -16.394 -7.898 1.00 61.43 C ATOM 647 NZ LYS A 41 -11.854 -15.654 -6.657 1.00 20.12 N ATOM 0 H LYS A 41 -11.240 -21.489 -7.034 1.00 41.32 H new ATOM 0 HA LYS A 41 -13.369 -19.857 -7.679 1.00 44.42 H new ATOM 0 HB2 LYS A 41 -10.718 -19.897 -8.217 1.00 33.04 H new ATOM 0 HB3 LYS A 41 -11.307 -20.455 -9.771 1.00 33.04 H new ATOM 0 HG2 LYS A 41 -11.005 -18.001 -9.714 1.00 2.21 H new ATOM 0 HG3 LYS A 41 -12.666 -18.451 -10.046 1.00 2.21 H new ATOM 0 HD2 LYS A 41 -13.395 -17.343 -8.225 1.00 55.13 H new ATOM 0 HD3 LYS A 41 -12.313 -18.247 -7.183 1.00 55.13 H new ATOM 0 HE2 LYS A 41 -10.445 -16.681 -7.859 1.00 61.43 H new ATOM 0 HE3 LYS A 41 -11.615 -15.737 -8.760 1.00 61.43 H new ATOM 0 HZ1 LYS A 41 -11.247 -14.815 -6.566 1.00 20.12 H new ATOM 0 HZ2 LYS A 41 -12.850 -15.358 -6.705 1.00 20.12 H new ATOM 0 HZ3 LYS A 41 -11.716 -16.272 -5.832 1.00 20.12 H new ATOM 661 N PRO A 42 -14.799 -20.771 -9.490 1.00 21.14 N ATOM 662 CA PRO A 42 -15.735 -21.348 -10.460 1.00 2.44 C ATOM 663 C PRO A 42 -15.236 -21.217 -11.895 1.00 21.14 C ATOM 664 O PRO A 42 -15.219 -22.191 -12.648 1.00 11.14 O ATOM 665 CB PRO A 42 -17.008 -20.521 -10.259 1.00 24.23 C ATOM 666 CG PRO A 42 -16.532 -19.221 -9.709 1.00 11.20 C ATOM 667 CD PRO A 42 -15.324 -19.542 -8.873 1.00 12.43 C ATOM 0 HA PRO A 42 -15.876 -22.418 -10.304 1.00 2.44 H new ATOM 0 HB2 PRO A 42 -17.542 -20.381 -11.199 1.00 24.23 H new ATOM 0 HB3 PRO A 42 -17.696 -21.014 -9.572 1.00 24.23 H new ATOM 0 HG2 PRO A 42 -16.278 -18.528 -10.511 1.00 11.20 H new ATOM 0 HG3 PRO A 42 -17.307 -18.744 -9.108 1.00 11.20 H new ATOM 0 HD2 PRO A 42 -14.592 -18.735 -8.899 1.00 12.43 H new ATOM 0 HD3 PRO A 42 -15.589 -19.699 -7.827 1.00 12.43 H new ATOM 675 N VAL A 43 -14.830 -20.008 -12.267 1.00 45.44 N ATOM 676 CA VAL A 43 -14.328 -19.750 -13.612 1.00 75.22 C ATOM 677 C VAL A 43 -13.443 -18.510 -13.641 1.00 3.34 C ATOM 678 O VAL A 43 -13.459 -17.702 -12.713 1.00 3.01 O ATOM 679 CB VAL A 43 -15.483 -19.567 -14.616 1.00 4.55 C ATOM 680 CG1 VAL A 43 -14.944 -19.441 -16.032 1.00 63.54 C ATOM 681 CG2 VAL A 43 -16.468 -20.721 -14.511 1.00 3.01 C ATOM 0 H VAL A 43 -14.839 -19.191 -11.656 1.00 45.44 H new ATOM 0 HA VAL A 43 -13.738 -20.620 -13.902 1.00 75.22 H new ATOM 0 HB VAL A 43 -16.012 -18.646 -14.371 1.00 4.55 H new ATOM 0 HG11 VAL A 43 -15.774 -19.313 -16.727 1.00 63.54 H new ATOM 0 HG12 VAL A 43 -14.282 -18.577 -16.094 1.00 63.54 H new ATOM 0 HG13 VAL A 43 -14.389 -20.343 -16.292 1.00 63.54 H new ATOM 0 HG21 VAL A 43 -17.277 -20.575 -15.227 1.00 3.01 H new ATOM 0 HG22 VAL A 43 -15.955 -21.658 -14.729 1.00 3.01 H new ATOM 0 HG23 VAL A 43 -16.879 -20.758 -13.502 1.00 3.01 H new ATOM 691 N ASN A 44 -12.671 -18.365 -14.713 1.00 25.14 N ATOM 692 CA ASN A 44 -11.777 -17.222 -14.862 1.00 60.34 C ATOM 693 C ASN A 44 -11.224 -17.146 -16.282 1.00 71.54 C ATOM 694 O ASN A 44 -11.512 -18.002 -17.120 1.00 34.11 O ATOM 695 CB ASN A 44 -10.626 -17.314 -13.859 1.00 45.20 C ATOM 696 CG ASN A 44 -10.183 -15.951 -13.361 1.00 34.54 C ATOM 697 OD1 ASN A 44 -9.208 -15.384 -13.853 1.00 70.41 O ATOM 698 ND2 ASN A 44 -10.901 -15.420 -12.378 1.00 12.40 N ATOM 0 H ASN A 44 -12.646 -19.024 -15.491 1.00 25.14 H new ATOM 0 HA ASN A 44 -12.350 -16.316 -14.665 1.00 60.34 H new ATOM 0 HB2 ASN A 44 -10.935 -17.925 -13.011 1.00 45.20 H new ATOM 0 HB3 ASN A 44 -9.781 -17.820 -14.325 1.00 45.20 H new ATOM 0 HD21 ASN A 44 -10.652 -14.506 -12.001 1.00 12.40 H new ATOM 0 HD22 ASN A 44 -11.702 -15.926 -12.000 1.00 12.40 H new ATOM 705 N THR A 45 -10.427 -16.116 -16.547 1.00 63.10 N ATOM 706 CA THR A 45 -9.834 -15.927 -17.865 1.00 25.52 C ATOM 707 C THR A 45 -8.484 -15.225 -17.765 1.00 13.10 C ATOM 708 O THR A 45 -8.373 -14.156 -17.165 1.00 2.31 O ATOM 709 CB THR A 45 -10.759 -15.109 -18.785 1.00 64.45 C ATOM 710 OG1 THR A 45 -12.126 -15.317 -18.416 1.00 33.43 O ATOM 711 CG2 THR A 45 -10.556 -15.501 -20.242 1.00 15.44 C ATOM 0 H THR A 45 -10.177 -15.399 -15.866 1.00 63.10 H new ATOM 0 HA THR A 45 -9.693 -16.919 -18.294 1.00 25.52 H new ATOM 0 HB THR A 45 -10.509 -14.054 -18.670 1.00 64.45 H new ATOM 0 HG1 THR A 45 -12.707 -14.792 -19.005 1.00 33.43 H new ATOM 0 HG21 THR A 45 -11.220 -14.910 -20.874 1.00 15.44 H new ATOM 0 HG22 THR A 45 -9.521 -15.314 -20.528 1.00 15.44 H new ATOM 0 HG23 THR A 45 -10.782 -16.560 -20.369 1.00 15.44 H new ATOM 719 N PHE A 46 -7.461 -15.832 -18.357 1.00 52.11 N ATOM 720 CA PHE A 46 -6.118 -15.264 -18.334 1.00 72.14 C ATOM 721 C PHE A 46 -5.833 -14.491 -19.619 1.00 2.04 C ATOM 722 O PHE A 46 -6.685 -14.397 -20.502 1.00 43.33 O ATOM 723 CB PHE A 46 -5.077 -16.370 -18.149 1.00 50.13 C ATOM 724 CG PHE A 46 -4.849 -16.744 -16.713 1.00 22.13 C ATOM 725 CD1 PHE A 46 -4.688 -15.765 -15.745 1.00 65.43 C ATOM 726 CD2 PHE A 46 -4.795 -18.075 -16.330 1.00 1.42 C ATOM 727 CE1 PHE A 46 -4.478 -16.106 -14.422 1.00 63.33 C ATOM 728 CE2 PHE A 46 -4.586 -18.421 -15.008 1.00 62.54 C ATOM 729 CZ PHE A 46 -4.426 -17.436 -14.054 1.00 22.23 C ATOM 0 H PHE A 46 -7.536 -16.717 -18.859 1.00 52.11 H new ATOM 0 HA PHE A 46 -6.057 -14.573 -17.493 1.00 72.14 H new ATOM 0 HB2 PHE A 46 -5.396 -17.254 -18.700 1.00 50.13 H new ATOM 0 HB3 PHE A 46 -4.133 -16.046 -18.586 1.00 50.13 H new ATOM 0 HD1 PHE A 46 -4.727 -14.723 -16.028 1.00 65.43 H new ATOM 0 HD2 PHE A 46 -4.917 -18.850 -17.072 1.00 1.42 H new ATOM 0 HE1 PHE A 46 -4.355 -15.334 -13.677 1.00 63.33 H new ATOM 0 HE2 PHE A 46 -4.548 -19.462 -14.722 1.00 62.54 H new ATOM 0 HZ PHE A 46 -4.260 -17.705 -13.021 1.00 22.23 H new ATOM 739 N VAL A 47 -4.628 -13.938 -19.714 1.00 64.31 N ATOM 740 CA VAL A 47 -4.228 -13.174 -20.889 1.00 52.45 C ATOM 741 C VAL A 47 -2.730 -13.296 -21.142 1.00 23.13 C ATOM 742 O VAL A 47 -1.929 -13.283 -20.207 1.00 24.14 O ATOM 743 CB VAL A 47 -4.593 -11.684 -20.741 1.00 25.54 C ATOM 744 CG1 VAL A 47 -3.954 -10.865 -21.852 1.00 14.23 C ATOM 745 CG2 VAL A 47 -6.103 -11.504 -20.734 1.00 20.02 C ATOM 0 H VAL A 47 -3.912 -14.005 -18.991 1.00 64.31 H new ATOM 0 HA VAL A 47 -4.771 -13.592 -21.737 1.00 52.45 H new ATOM 0 HB VAL A 47 -4.204 -11.325 -19.788 1.00 25.54 H new ATOM 0 HG11 VAL A 47 -4.223 -9.816 -21.731 1.00 14.23 H new ATOM 0 HG12 VAL A 47 -2.870 -10.970 -21.804 1.00 14.23 H new ATOM 0 HG13 VAL A 47 -4.311 -11.222 -22.818 1.00 14.23 H new ATOM 0 HG21 VAL A 47 -6.343 -10.446 -20.629 1.00 20.02 H new ATOM 0 HG22 VAL A 47 -6.518 -11.879 -21.669 1.00 20.02 H new ATOM 0 HG23 VAL A 47 -6.532 -12.058 -19.899 1.00 20.02 H new ATOM 755 N HIS A 48 -2.357 -13.415 -22.412 1.00 42.21 N ATOM 756 CA HIS A 48 -0.953 -13.539 -22.788 1.00 40.34 C ATOM 757 C HIS A 48 -0.424 -12.224 -23.353 1.00 42.12 C ATOM 758 O HIS A 48 0.770 -12.089 -23.621 1.00 14.35 O ATOM 759 CB HIS A 48 -0.775 -14.657 -23.816 1.00 13.11 C ATOM 760 CG HIS A 48 -0.903 -16.031 -23.234 1.00 31.01 C ATOM 761 ND1 HIS A 48 -0.029 -16.535 -22.294 1.00 45.33 N ATOM 762 CD2 HIS A 48 -1.812 -17.008 -23.462 1.00 24.10 C ATOM 763 CE1 HIS A 48 -0.392 -17.763 -21.971 1.00 54.20 C ATOM 764 NE2 HIS A 48 -1.472 -18.074 -22.665 1.00 52.23 N ATOM 0 H HIS A 48 -3.007 -13.428 -23.198 1.00 42.21 H new ATOM 0 HA HIS A 48 -0.383 -13.785 -21.892 1.00 40.34 H new ATOM 0 HB2 HIS A 48 -1.517 -14.535 -24.605 1.00 13.11 H new ATOM 0 HB3 HIS A 48 0.205 -14.558 -24.282 1.00 13.11 H new ATOM 0 HD2 HIS A 48 -2.648 -16.959 -24.143 1.00 24.10 H new ATOM 0 HE1 HIS A 48 0.109 -18.404 -21.260 1.00 54.20 H new ATOM 0 HE2 HIS A 48 -1.972 -18.962 -22.617 1.00 52.23 H new ATOM 772 N GLU A 49 -1.320 -11.259 -23.533 1.00 14.14 N ATOM 773 CA GLU A 49 -0.943 -9.956 -24.067 1.00 44.14 C ATOM 774 C GLU A 49 -0.566 -8.995 -22.943 1.00 50.14 C ATOM 775 O GLU A 49 -1.118 -9.039 -21.844 1.00 22.33 O ATOM 776 CB GLU A 49 -2.088 -9.368 -24.894 1.00 0.40 C ATOM 777 CG GLU A 49 -1.809 -9.339 -26.387 1.00 45.42 C ATOM 778 CD GLU A 49 -1.471 -10.708 -26.944 1.00 42.12 C ATOM 779 OE1 GLU A 49 -0.324 -11.162 -26.749 1.00 72.10 O ATOM 780 OE2 GLU A 49 -2.354 -11.325 -27.575 1.00 71.34 O ATOM 0 H GLU A 49 -2.312 -11.355 -23.317 1.00 14.14 H new ATOM 0 HA GLU A 49 -0.074 -10.093 -24.710 1.00 44.14 H new ATOM 0 HB2 GLU A 49 -2.992 -9.950 -24.713 1.00 0.40 H new ATOM 0 HB3 GLU A 49 -2.289 -8.353 -24.551 1.00 0.40 H new ATOM 0 HG2 GLU A 49 -2.681 -8.944 -26.908 1.00 45.42 H new ATOM 0 HG3 GLU A 49 -0.983 -8.656 -26.585 1.00 45.42 H new ATOM 787 N PRO A 50 0.397 -8.105 -23.225 1.00 2.25 N ATOM 788 CA PRO A 50 0.870 -7.116 -22.251 1.00 12.00 C ATOM 789 C PRO A 50 -0.174 -6.042 -21.962 1.00 22.53 C ATOM 790 O PRO A 50 -0.916 -5.627 -22.853 1.00 22.30 O ATOM 791 CB PRO A 50 2.094 -6.502 -22.935 1.00 54.41 C ATOM 792 CG PRO A 50 1.852 -6.699 -24.392 1.00 24.42 C ATOM 793 CD PRO A 50 1.099 -7.995 -24.515 1.00 14.34 C ATOM 0 HA PRO A 50 1.088 -7.568 -21.283 1.00 12.00 H new ATOM 0 HB2 PRO A 50 2.196 -5.445 -22.690 1.00 54.41 H new ATOM 0 HB3 PRO A 50 3.014 -6.993 -22.616 1.00 54.41 H new ATOM 0 HG2 PRO A 50 1.276 -5.872 -24.807 1.00 24.42 H new ATOM 0 HG3 PRO A 50 2.792 -6.740 -24.942 1.00 24.42 H new ATOM 0 HD2 PRO A 50 0.401 -7.976 -25.352 1.00 14.34 H new ATOM 0 HD3 PRO A 50 1.772 -8.837 -24.680 1.00 14.34 H new ATOM 801 N LEU A 51 -0.226 -5.596 -20.712 1.00 22.24 N ATOM 802 CA LEU A 51 -1.179 -4.570 -20.305 1.00 0.52 C ATOM 803 C LEU A 51 -1.244 -3.448 -21.336 1.00 0.50 C ATOM 804 O LEU A 51 -2.292 -3.198 -21.932 1.00 63.03 O ATOM 805 CB LEU A 51 -0.793 -4.000 -18.938 1.00 70.24 C ATOM 806 CG LEU A 51 -1.801 -3.043 -18.301 1.00 61.02 C ATOM 807 CD1 LEU A 51 -2.950 -3.818 -17.674 1.00 5.53 C ATOM 808 CD2 LEU A 51 -1.119 -2.163 -17.264 1.00 23.44 C ATOM 0 H LEU A 51 0.381 -5.929 -19.963 1.00 22.24 H new ATOM 0 HA LEU A 51 -2.164 -5.032 -20.234 1.00 0.52 H new ATOM 0 HB2 LEU A 51 -0.629 -4.832 -18.253 1.00 70.24 H new ATOM 0 HB3 LEU A 51 0.159 -3.478 -19.040 1.00 70.24 H new ATOM 0 HG LEU A 51 -2.207 -2.400 -19.082 1.00 61.02 H new ATOM 0 HD11 LEU A 51 -3.657 -3.120 -17.226 1.00 5.53 H new ATOM 0 HD12 LEU A 51 -3.455 -4.404 -18.442 1.00 5.53 H new ATOM 0 HD13 LEU A 51 -2.562 -4.486 -16.905 1.00 5.53 H new ATOM 0 HD21 LEU A 51 -1.852 -1.488 -16.821 1.00 23.44 H new ATOM 0 HD22 LEU A 51 -0.684 -2.789 -16.485 1.00 23.44 H new ATOM 0 HD23 LEU A 51 -0.332 -1.580 -17.742 1.00 23.44 H new ATOM 820 N VAL A 52 -0.116 -2.775 -21.543 1.00 13.31 N ATOM 821 CA VAL A 52 -0.044 -1.681 -22.505 1.00 20.24 C ATOM 822 C VAL A 52 -0.987 -1.919 -23.679 1.00 1.23 C ATOM 823 O VAL A 52 -1.611 -0.986 -24.185 1.00 71.44 O ATOM 824 CB VAL A 52 1.389 -1.498 -23.040 1.00 33.33 C ATOM 825 CG1 VAL A 52 1.756 -2.635 -23.981 1.00 25.10 C ATOM 826 CG2 VAL A 52 1.529 -0.153 -23.735 1.00 45.40 C ATOM 0 H VAL A 52 0.760 -2.968 -21.058 1.00 13.31 H new ATOM 0 HA VAL A 52 -0.346 -0.776 -21.978 1.00 20.24 H new ATOM 0 HB VAL A 52 2.080 -1.519 -22.197 1.00 33.33 H new ATOM 0 HG11 VAL A 52 2.772 -2.489 -24.349 1.00 25.10 H new ATOM 0 HG12 VAL A 52 1.696 -3.583 -23.447 1.00 25.10 H new ATOM 0 HG13 VAL A 52 1.063 -2.649 -24.823 1.00 25.10 H new ATOM 0 HG21 VAL A 52 2.547 -0.040 -24.107 1.00 45.40 H new ATOM 0 HG22 VAL A 52 0.830 -0.100 -24.570 1.00 45.40 H new ATOM 0 HG23 VAL A 52 1.310 0.647 -23.027 1.00 45.40 H new ATOM 836 N ASP A 53 -1.086 -3.173 -24.106 1.00 42.55 N ATOM 837 CA ASP A 53 -1.954 -3.534 -25.221 1.00 12.02 C ATOM 838 C ASP A 53 -3.422 -3.354 -24.846 1.00 71.14 C ATOM 839 O ASP A 53 -4.145 -2.584 -25.479 1.00 31.03 O ATOM 840 CB ASP A 53 -1.697 -4.980 -25.647 1.00 73.22 C ATOM 841 CG ASP A 53 -2.073 -5.232 -27.094 1.00 64.53 C ATOM 842 OD1 ASP A 53 -3.026 -4.589 -27.580 1.00 61.13 O ATOM 843 OD2 ASP A 53 -1.414 -6.074 -27.740 1.00 65.05 O ATOM 0 H ASP A 53 -0.576 -3.956 -23.697 1.00 42.55 H new ATOM 0 HA ASP A 53 -1.727 -2.872 -26.056 1.00 12.02 H new ATOM 0 HB2 ASP A 53 -0.643 -5.217 -25.502 1.00 73.22 H new ATOM 0 HB3 ASP A 53 -2.266 -5.652 -25.004 1.00 73.22 H new ATOM 848 N VAL A 54 -3.857 -4.071 -23.815 1.00 5.25 N ATOM 849 CA VAL A 54 -5.238 -3.991 -23.356 1.00 11.44 C ATOM 850 C VAL A 54 -5.627 -2.552 -23.033 1.00 33.43 C ATOM 851 O VAL A 54 -6.741 -2.120 -23.328 1.00 42.32 O ATOM 852 CB VAL A 54 -5.467 -4.865 -22.109 1.00 21.15 C ATOM 853 CG1 VAL A 54 -6.812 -4.547 -21.473 1.00 23.43 C ATOM 854 CG2 VAL A 54 -5.373 -6.340 -22.468 1.00 72.23 C ATOM 0 H VAL A 54 -3.272 -4.714 -23.282 1.00 5.25 H new ATOM 0 HA VAL A 54 -5.863 -4.360 -24.169 1.00 11.44 H new ATOM 0 HB VAL A 54 -4.687 -4.641 -21.382 1.00 21.15 H new ATOM 0 HG11 VAL A 54 -6.956 -5.174 -20.593 1.00 23.43 H new ATOM 0 HG12 VAL A 54 -6.836 -3.498 -21.178 1.00 23.43 H new ATOM 0 HG13 VAL A 54 -7.609 -4.741 -22.191 1.00 23.43 H new ATOM 0 HG21 VAL A 54 -5.537 -6.943 -21.575 1.00 72.23 H new ATOM 0 HG22 VAL A 54 -6.130 -6.582 -23.214 1.00 72.23 H new ATOM 0 HG23 VAL A 54 -4.384 -6.554 -22.873 1.00 72.23 H new ATOM 864 N GLN A 55 -4.702 -1.817 -22.425 1.00 1.01 N ATOM 865 CA GLN A 55 -4.949 -0.427 -22.062 1.00 10.44 C ATOM 866 C GLN A 55 -5.464 0.365 -23.259 1.00 14.53 C ATOM 867 O GLN A 55 -6.473 1.064 -23.165 1.00 44.12 O ATOM 868 CB GLN A 55 -3.670 0.216 -21.522 1.00 14.52 C ATOM 869 CG GLN A 55 -2.932 -0.650 -20.514 1.00 53.20 C ATOM 870 CD GLN A 55 -2.569 0.105 -19.251 1.00 12.34 C ATOM 871 OE1 GLN A 55 -1.951 1.169 -19.305 1.00 70.22 O ATOM 872 NE2 GLN A 55 -2.952 -0.442 -18.103 1.00 15.31 N ATOM 0 H GLN A 55 -3.775 -2.161 -22.174 1.00 1.01 H new ATOM 0 HA GLN A 55 -5.712 -0.411 -21.284 1.00 10.44 H new ATOM 0 HB2 GLN A 55 -3.004 0.436 -22.356 1.00 14.52 H new ATOM 0 HB3 GLN A 55 -3.921 1.168 -21.055 1.00 14.52 H new ATOM 0 HG2 GLN A 55 -3.553 -1.508 -20.254 1.00 53.20 H new ATOM 0 HG3 GLN A 55 -2.024 -1.041 -20.973 1.00 53.20 H new ATOM 0 HE21 GLN A 55 -3.462 -1.325 -18.104 1.00 15.31 H new ATOM 0 HE22 GLN A 55 -2.736 0.021 -17.220 1.00 15.31 H new ATOM 881 N ASN A 56 -4.765 0.251 -24.383 1.00 41.41 N ATOM 882 CA ASN A 56 -5.152 0.958 -25.599 1.00 23.11 C ATOM 883 C ASN A 56 -6.645 0.800 -25.868 1.00 71.10 C ATOM 884 O ASN A 56 -7.283 1.690 -26.431 1.00 31.22 O ATOM 885 CB ASN A 56 -4.349 0.438 -26.793 1.00 71.21 C ATOM 886 CG ASN A 56 -2.921 0.949 -26.797 1.00 33.13 C ATOM 887 OD1 ASN A 56 -2.681 2.152 -26.894 1.00 53.41 O ATOM 888 ND2 ASN A 56 -1.965 0.033 -26.691 1.00 11.55 N ATOM 0 H ASN A 56 -3.928 -0.324 -24.478 1.00 41.41 H new ATOM 0 HA ASN A 56 -4.937 2.017 -25.458 1.00 23.11 H new ATOM 0 HB2 ASN A 56 -4.342 -0.652 -26.775 1.00 71.21 H new ATOM 0 HB3 ASN A 56 -4.842 0.739 -27.717 1.00 71.21 H new ATOM 0 HD21 ASN A 56 -0.985 0.316 -26.688 1.00 11.55 H new ATOM 0 HD22 ASN A 56 -2.211 -0.954 -26.613 1.00 11.55 H new ATOM 895 N VAL A 57 -7.197 -0.339 -25.461 1.00 50.05 N ATOM 896 CA VAL A 57 -8.616 -0.614 -25.657 1.00 5.42 C ATOM 897 C VAL A 57 -9.478 0.469 -25.018 1.00 20.14 C ATOM 898 O VAL A 57 -10.461 0.922 -25.605 1.00 10.24 O ATOM 899 CB VAL A 57 -9.009 -1.982 -25.068 1.00 45.25 C ATOM 900 CG1 VAL A 57 -10.496 -2.237 -25.258 1.00 61.41 C ATOM 901 CG2 VAL A 57 -8.183 -3.091 -25.703 1.00 74.01 C ATOM 0 H VAL A 57 -6.683 -1.086 -24.994 1.00 50.05 H new ATOM 0 HA VAL A 57 -8.791 -0.626 -26.733 1.00 5.42 H new ATOM 0 HB VAL A 57 -8.801 -1.972 -23.998 1.00 45.25 H new ATOM 0 HG11 VAL A 57 -10.756 -3.208 -24.836 1.00 61.41 H new ATOM 0 HG12 VAL A 57 -11.066 -1.458 -24.753 1.00 61.41 H new ATOM 0 HG13 VAL A 57 -10.734 -2.229 -26.322 1.00 61.41 H new ATOM 0 HG21 VAL A 57 -8.473 -4.051 -25.276 1.00 74.01 H new ATOM 0 HG22 VAL A 57 -8.358 -3.105 -26.779 1.00 74.01 H new ATOM 0 HG23 VAL A 57 -7.125 -2.913 -25.510 1.00 74.01 H new ATOM 911 N CYS A 58 -9.103 0.880 -23.811 1.00 15.12 N ATOM 912 CA CYS A 58 -9.842 1.910 -23.090 1.00 42.11 C ATOM 913 C CYS A 58 -9.757 3.249 -23.817 1.00 3.44 C ATOM 914 O CYS A 58 -10.493 4.185 -23.504 1.00 53.24 O ATOM 915 CB CYS A 58 -9.300 2.054 -21.667 1.00 3.13 C ATOM 916 SG CYS A 58 -8.713 0.493 -20.933 1.00 44.42 S ATOM 0 H CYS A 58 -8.292 0.516 -23.312 1.00 15.12 H new ATOM 0 HA CYS A 58 -10.888 1.607 -23.044 1.00 42.11 H new ATOM 0 HB2 CYS A 58 -8.479 2.771 -21.673 1.00 3.13 H new ATOM 0 HB3 CYS A 58 -10.082 2.470 -21.032 1.00 3.13 H new ATOM 921 N PHE A 59 -8.853 3.333 -24.787 1.00 51.24 N ATOM 922 CA PHE A 59 -8.670 4.557 -25.558 1.00 55.53 C ATOM 923 C PHE A 59 -8.977 4.322 -27.034 1.00 61.43 C ATOM 924 O PHE A 59 -8.995 5.259 -27.832 1.00 31.41 O ATOM 925 CB PHE A 59 -7.240 5.077 -25.399 1.00 60.24 C ATOM 926 CG PHE A 59 -6.754 5.069 -23.978 1.00 62.13 C ATOM 927 CD1 PHE A 59 -7.362 5.863 -23.020 1.00 12.13 C ATOM 928 CD2 PHE A 59 -5.689 4.267 -23.601 1.00 43.10 C ATOM 929 CE1 PHE A 59 -6.916 5.858 -21.712 1.00 12.34 C ATOM 930 CE2 PHE A 59 -5.238 4.258 -22.294 1.00 75.22 C ATOM 931 CZ PHE A 59 -5.854 5.054 -21.348 1.00 61.21 C ATOM 0 H PHE A 59 -8.235 2.568 -25.058 1.00 51.24 H new ATOM 0 HA PHE A 59 -9.365 5.304 -25.175 1.00 55.53 H new ATOM 0 HB2 PHE A 59 -6.571 4.468 -26.007 1.00 60.24 H new ATOM 0 HB3 PHE A 59 -7.186 6.094 -25.787 1.00 60.24 H new ATOM 0 HD1 PHE A 59 -8.194 6.493 -23.298 1.00 12.13 H new ATOM 0 HD2 PHE A 59 -5.205 3.641 -24.337 1.00 43.10 H new ATOM 0 HE1 PHE A 59 -7.398 6.483 -20.975 1.00 12.34 H new ATOM 0 HE2 PHE A 59 -4.406 3.630 -22.013 1.00 75.22 H new ATOM 0 HZ PHE A 59 -5.506 5.048 -20.326 1.00 61.21 H new ATOM 941 N GLN A 60 -9.216 3.063 -27.389 1.00 54.31 N ATOM 942 CA GLN A 60 -9.521 2.704 -28.769 1.00 65.20 C ATOM 943 C GLN A 60 -11.025 2.726 -29.018 1.00 60.53 C ATOM 944 O GLN A 60 -11.530 3.580 -29.745 1.00 53.13 O ATOM 945 CB GLN A 60 -8.958 1.319 -29.093 1.00 62.14 C ATOM 946 CG GLN A 60 -7.452 1.308 -29.305 1.00 14.03 C ATOM 947 CD GLN A 60 -7.067 1.020 -30.742 1.00 40.03 C ATOM 948 OE1 GLN A 60 -6.978 1.930 -31.567 1.00 65.33 O ATOM 949 NE2 GLN A 60 -6.836 -0.251 -31.050 1.00 40.23 N ATOM 0 H GLN A 60 -9.204 2.276 -26.741 1.00 54.31 H new ATOM 0 HA GLN A 60 -9.053 3.441 -29.422 1.00 65.20 H new ATOM 0 HB2 GLN A 60 -9.207 0.636 -28.281 1.00 62.14 H new ATOM 0 HB3 GLN A 60 -9.446 0.939 -29.991 1.00 62.14 H new ATOM 0 HG2 GLN A 60 -7.040 2.273 -29.009 1.00 14.03 H new ATOM 0 HG3 GLN A 60 -7.003 0.557 -28.655 1.00 14.03 H new ATOM 0 HE21 GLN A 60 -6.921 -0.973 -30.334 1.00 40.23 H new ATOM 0 HE22 GLN A 60 -6.573 -0.505 -32.002 1.00 40.23 H new ATOM 958 N GLU A 61 -11.734 1.780 -28.410 1.00 74.35 N ATOM 959 CA GLU A 61 -13.181 1.691 -28.568 1.00 72.35 C ATOM 960 C GLU A 61 -13.880 1.724 -27.212 1.00 63.31 C ATOM 961 O GLU A 61 -13.230 1.779 -26.167 1.00 55.05 O ATOM 962 CB GLU A 61 -13.557 0.410 -29.317 1.00 0.01 C ATOM 963 CG GLU A 61 -14.897 0.492 -30.029 1.00 3.00 C ATOM 964 CD GLU A 61 -14.969 -0.415 -31.242 1.00 51.10 C ATOM 965 OE1 GLU A 61 -14.386 -1.518 -31.193 1.00 21.34 O ATOM 966 OE2 GLU A 61 -15.608 -0.022 -32.240 1.00 51.11 O ATOM 0 H GLU A 61 -11.331 1.065 -27.804 1.00 74.35 H new ATOM 0 HA GLU A 61 -13.511 2.553 -29.148 1.00 72.35 H new ATOM 0 HB2 GLU A 61 -12.780 0.185 -30.048 1.00 0.01 H new ATOM 0 HB3 GLU A 61 -13.580 -0.420 -28.611 1.00 0.01 H new ATOM 0 HG2 GLU A 61 -15.691 0.225 -29.332 1.00 3.00 H new ATOM 0 HG3 GLU A 61 -15.078 1.521 -30.338 1.00 3.00 H new ATOM 973 N LYS A 62 -15.208 1.690 -27.236 1.00 42.03 N ATOM 974 CA LYS A 62 -15.997 1.715 -26.010 1.00 43.33 C ATOM 975 C LYS A 62 -17.241 0.843 -26.146 1.00 4.02 C ATOM 976 O LYS A 62 -17.654 0.501 -27.254 1.00 2.21 O ATOM 977 CB LYS A 62 -16.402 3.151 -25.670 1.00 12.20 C ATOM 978 CG LYS A 62 -15.251 4.005 -25.167 1.00 53.43 C ATOM 979 CD LYS A 62 -15.469 5.476 -25.483 1.00 22.31 C ATOM 980 CE LYS A 62 -14.556 5.946 -26.605 1.00 3.03 C ATOM 981 NZ LYS A 62 -13.481 6.848 -26.104 1.00 73.42 N ATOM 0 H LYS A 62 -15.761 1.645 -28.092 1.00 42.03 H new ATOM 0 HA LYS A 62 -15.382 1.316 -25.203 1.00 43.33 H new ATOM 0 HB2 LYS A 62 -16.830 3.619 -26.557 1.00 12.20 H new ATOM 0 HB3 LYS A 62 -17.185 3.129 -24.912 1.00 12.20 H new ATOM 0 HG2 LYS A 62 -15.144 3.875 -24.090 1.00 53.43 H new ATOM 0 HG3 LYS A 62 -14.320 3.668 -25.623 1.00 53.43 H new ATOM 0 HD2 LYS A 62 -16.509 5.638 -25.767 1.00 22.31 H new ATOM 0 HD3 LYS A 62 -15.286 6.072 -24.589 1.00 22.31 H new ATOM 0 HE2 LYS A 62 -14.106 5.082 -27.094 1.00 3.03 H new ATOM 0 HE3 LYS A 62 -15.146 6.467 -27.359 1.00 3.03 H new ATOM 0 HZ1 LYS A 62 -12.880 7.147 -26.899 1.00 73.42 H new ATOM 0 HZ2 LYS A 62 -13.909 7.685 -25.660 1.00 73.42 H new ATOM 0 HZ3 LYS A 62 -12.902 6.342 -25.403 1.00 73.42 H new ATOM 995 N VAL A 63 -17.835 0.487 -25.011 1.00 63.01 N ATOM 996 CA VAL A 63 -19.033 -0.343 -25.003 1.00 72.35 C ATOM 997 C VAL A 63 -19.963 0.045 -23.860 1.00 32.25 C ATOM 998 O VAL A 63 -19.599 0.837 -22.989 1.00 74.34 O ATOM 999 CB VAL A 63 -18.680 -1.837 -24.879 1.00 72.43 C ATOM 1000 CG1 VAL A 63 -17.521 -2.191 -25.799 1.00 13.30 C ATOM 1001 CG2 VAL A 63 -18.352 -2.189 -23.436 1.00 15.31 C ATOM 0 H VAL A 63 -17.506 0.761 -24.085 1.00 63.01 H new ATOM 0 HA VAL A 63 -19.541 -0.175 -25.953 1.00 72.35 H new ATOM 0 HB VAL A 63 -19.547 -2.423 -25.184 1.00 72.43 H new ATOM 0 HG11 VAL A 63 -17.286 -3.251 -25.697 1.00 13.30 H new ATOM 0 HG12 VAL A 63 -17.798 -1.978 -26.832 1.00 13.30 H new ATOM 0 HG13 VAL A 63 -16.647 -1.598 -25.528 1.00 13.30 H new ATOM 0 HG21 VAL A 63 -18.105 -3.248 -23.367 1.00 15.31 H new ATOM 0 HG22 VAL A 63 -17.501 -1.595 -23.101 1.00 15.31 H new ATOM 0 HG23 VAL A 63 -19.214 -1.976 -22.804 1.00 15.31 H new ATOM 1011 N THR A 64 -21.167 -0.519 -23.866 1.00 14.32 N ATOM 1012 CA THR A 64 -22.151 -0.232 -22.829 1.00 40.34 C ATOM 1013 C THR A 64 -22.091 -1.268 -21.713 1.00 14.11 C ATOM 1014 O THR A 64 -21.556 -2.362 -21.895 1.00 11.21 O ATOM 1015 CB THR A 64 -23.579 -0.195 -23.405 1.00 33.41 C ATOM 1016 OG1 THR A 64 -23.530 -0.044 -24.828 1.00 53.10 O ATOM 1017 CG2 THR A 64 -24.379 0.946 -22.796 1.00 13.14 C ATOM 0 H THR A 64 -21.484 -1.177 -24.578 1.00 14.32 H new ATOM 0 HA THR A 64 -21.906 0.749 -22.423 1.00 40.34 H new ATOM 0 HB THR A 64 -24.071 -1.135 -23.157 1.00 33.41 H new ATOM 0 HG1 THR A 64 -24.442 -0.023 -25.186 1.00 53.10 H new ATOM 0 HG21 THR A 64 -25.384 0.952 -23.218 1.00 13.14 H new ATOM 0 HG22 THR A 64 -24.440 0.812 -21.716 1.00 13.14 H new ATOM 0 HG23 THR A 64 -23.887 1.893 -23.017 1.00 13.14 H new ATOM 1025 N CYS A 65 -22.645 -0.918 -20.557 1.00 1.52 N ATOM 1026 CA CYS A 65 -22.656 -1.817 -19.410 1.00 25.23 C ATOM 1027 C CYS A 65 -24.007 -1.781 -18.702 1.00 72.04 C ATOM 1028 O CYS A 65 -24.852 -0.934 -18.995 1.00 64.34 O ATOM 1029 CB CYS A 65 -21.544 -1.440 -18.429 1.00 1.44 C ATOM 1030 SG CYS A 65 -19.996 -2.370 -18.665 1.00 43.02 S ATOM 0 H CYS A 65 -23.093 -0.017 -20.390 1.00 1.52 H new ATOM 0 HA CYS A 65 -22.483 -2.830 -19.773 1.00 25.23 H new ATOM 0 HB2 CYS A 65 -21.334 -0.375 -18.527 1.00 1.44 H new ATOM 0 HB3 CYS A 65 -21.901 -1.602 -17.412 1.00 1.44 H new ATOM 1035 N LYS A 66 -24.205 -2.706 -17.769 1.00 52.21 N ATOM 1036 CA LYS A 66 -25.453 -2.780 -17.018 1.00 24.42 C ATOM 1037 C LYS A 66 -25.937 -1.388 -16.628 1.00 11.41 C ATOM 1038 O LYS A 66 -27.070 -1.010 -16.922 1.00 35.04 O ATOM 1039 CB LYS A 66 -25.266 -3.637 -15.763 1.00 43.32 C ATOM 1040 CG LYS A 66 -26.434 -4.565 -15.481 1.00 14.24 C ATOM 1041 CD LYS A 66 -26.782 -4.590 -14.002 1.00 2.44 C ATOM 1042 CE LYS A 66 -27.735 -5.728 -13.672 1.00 55.31 C ATOM 1043 NZ LYS A 66 -28.506 -5.463 -12.425 1.00 45.23 N ATOM 0 H LYS A 66 -23.517 -3.415 -17.515 1.00 52.21 H new ATOM 0 HA LYS A 66 -26.206 -3.241 -17.657 1.00 24.42 H new ATOM 0 HB2 LYS A 66 -24.359 -4.231 -15.871 1.00 43.32 H new ATOM 0 HB3 LYS A 66 -25.118 -2.982 -14.905 1.00 43.32 H new ATOM 0 HG2 LYS A 66 -27.303 -4.242 -16.055 1.00 14.24 H new ATOM 0 HG3 LYS A 66 -26.188 -5.573 -15.815 1.00 14.24 H new ATOM 0 HD2 LYS A 66 -25.870 -4.696 -13.414 1.00 2.44 H new ATOM 0 HD3 LYS A 66 -27.236 -3.640 -13.718 1.00 2.44 H new ATOM 0 HE2 LYS A 66 -28.426 -5.875 -14.502 1.00 55.31 H new ATOM 0 HE3 LYS A 66 -27.170 -6.654 -13.560 1.00 55.31 H new ATOM 0 HZ1 LYS A 66 -29.144 -6.262 -12.235 1.00 45.23 H new ATOM 0 HZ2 LYS A 66 -27.848 -5.348 -11.628 1.00 45.23 H new ATOM 0 HZ3 LYS A 66 -29.065 -4.594 -12.541 1.00 45.23 H new ATOM 1057 N ASN A 67 -25.070 -0.628 -15.966 1.00 72.11 N ATOM 1058 CA ASN A 67 -25.410 0.724 -15.537 1.00 72.40 C ATOM 1059 C ASN A 67 -25.719 1.614 -16.737 1.00 62.21 C ATOM 1060 O ASN A 67 -26.456 2.592 -16.624 1.00 52.13 O ATOM 1061 CB ASN A 67 -24.264 1.326 -14.722 1.00 42.14 C ATOM 1062 CG ASN A 67 -24.746 2.355 -13.718 1.00 35.52 C ATOM 1063 OD1 ASN A 67 -25.351 2.010 -12.702 1.00 5.32 O ATOM 1064 ND2 ASN A 67 -24.482 3.625 -13.999 1.00 5.15 N ATOM 0 H ASN A 67 -24.127 -0.925 -15.715 1.00 72.11 H new ATOM 0 HA ASN A 67 -26.301 0.667 -14.911 1.00 72.40 H new ATOM 0 HB2 ASN A 67 -23.738 0.529 -14.197 1.00 42.14 H new ATOM 0 HB3 ASN A 67 -23.546 1.791 -15.398 1.00 42.14 H new ATOM 0 HD21 ASN A 67 -24.783 4.362 -13.361 1.00 5.15 H new ATOM 0 HD22 ASN A 67 -23.978 3.864 -14.853 1.00 5.15 H new ATOM 1071 N GLY A 68 -25.149 1.266 -17.887 1.00 42.41 N ATOM 1072 CA GLY A 68 -25.375 2.043 -19.092 1.00 10.43 C ATOM 1073 C GLY A 68 -24.301 3.088 -19.318 1.00 5.41 C ATOM 1074 O GLY A 68 -24.518 4.065 -20.034 1.00 42.30 O ATOM 0 H GLY A 68 -24.535 0.460 -18.006 1.00 42.41 H new ATOM 0 HA2 GLY A 68 -25.412 1.373 -19.951 1.00 10.43 H new ATOM 0 HA3 GLY A 68 -26.347 2.533 -19.028 1.00 10.43 H new ATOM 1078 N GLN A 69 -23.139 2.883 -18.705 1.00 13.23 N ATOM 1079 CA GLN A 69 -22.028 3.818 -18.841 1.00 73.44 C ATOM 1080 C GLN A 69 -20.947 3.247 -19.753 1.00 5.42 C ATOM 1081 O GLN A 69 -20.958 2.061 -20.079 1.00 45.44 O ATOM 1082 CB GLN A 69 -21.436 4.143 -17.469 1.00 72.00 C ATOM 1083 CG GLN A 69 -22.433 4.774 -16.510 1.00 72.33 C ATOM 1084 CD GLN A 69 -21.957 4.747 -15.071 1.00 65.45 C ATOM 1085 OE1 GLN A 69 -21.926 5.776 -14.396 1.00 33.31 O ATOM 1086 NE2 GLN A 69 -21.581 3.566 -14.594 1.00 62.21 N ATOM 0 H GLN A 69 -22.943 2.078 -18.110 1.00 13.23 H new ATOM 0 HA GLN A 69 -22.410 4.735 -19.289 1.00 73.44 H new ATOM 0 HB2 GLN A 69 -21.047 3.227 -17.024 1.00 72.00 H new ATOM 0 HB3 GLN A 69 -20.591 4.819 -17.598 1.00 72.00 H new ATOM 0 HG2 GLN A 69 -22.615 5.806 -16.809 1.00 72.33 H new ATOM 0 HG3 GLN A 69 -23.385 4.248 -16.584 1.00 72.33 H new ATOM 0 HE21 GLN A 69 -21.623 2.739 -15.189 1.00 62.21 H new ATOM 0 HE22 GLN A 69 -21.250 3.486 -13.632 1.00 62.21 H new ATOM 1095 N GLY A 70 -20.013 4.101 -20.161 1.00 5.41 N ATOM 1096 CA GLY A 70 -18.937 3.664 -21.031 1.00 41.14 C ATOM 1097 C GLY A 70 -17.698 3.252 -20.261 1.00 14.24 C ATOM 1098 O GLY A 70 -16.577 3.548 -20.671 1.00 60.20 O ATOM 0 H GLY A 70 -19.983 5.088 -19.904 1.00 5.41 H new ATOM 0 HA2 GLY A 70 -19.281 2.825 -21.635 1.00 41.14 H new ATOM 0 HA3 GLY A 70 -18.682 4.469 -21.720 1.00 41.14 H new ATOM 1102 N ASN A 71 -17.901 2.569 -19.139 1.00 34.22 N ATOM 1103 CA ASN A 71 -16.792 2.118 -18.307 1.00 65.32 C ATOM 1104 C ASN A 71 -16.137 0.874 -18.901 1.00 52.01 C ATOM 1105 O ASN A 71 -14.995 0.546 -18.578 1.00 71.44 O ATOM 1106 CB ASN A 71 -17.278 1.823 -16.887 1.00 32.31 C ATOM 1107 CG ASN A 71 -16.141 1.770 -15.885 1.00 42.32 C ATOM 1108 OD1 ASN A 71 -16.090 2.564 -14.945 1.00 63.33 O ATOM 1109 ND2 ASN A 71 -15.221 0.833 -16.083 1.00 34.43 N ATOM 0 H ASN A 71 -18.824 2.316 -18.785 1.00 34.22 H new ATOM 0 HA ASN A 71 -16.050 2.916 -18.271 1.00 65.32 H new ATOM 0 HB2 ASN A 71 -17.991 2.590 -16.583 1.00 32.31 H new ATOM 0 HB3 ASN A 71 -17.810 0.872 -16.879 1.00 32.31 H new ATOM 0 HD21 ASN A 71 -14.432 0.750 -15.442 1.00 34.43 H new ATOM 0 HD22 ASN A 71 -15.304 0.196 -16.876 1.00 34.43 H new ATOM 1116 N CYS A 72 -16.868 0.186 -19.772 1.00 34.04 N ATOM 1117 CA CYS A 72 -16.361 -1.021 -20.412 1.00 23.42 C ATOM 1118 C CYS A 72 -15.928 -0.735 -21.847 1.00 72.30 C ATOM 1119 O CYS A 72 -16.516 0.106 -22.528 1.00 23.14 O ATOM 1120 CB CYS A 72 -17.427 -2.118 -20.398 1.00 32.21 C ATOM 1121 SG CYS A 72 -19.138 -1.492 -20.388 1.00 2.13 S ATOM 0 H CYS A 72 -17.814 0.445 -20.051 1.00 34.04 H new ATOM 0 HA CYS A 72 -15.492 -1.362 -19.850 1.00 23.42 H new ATOM 0 HB2 CYS A 72 -17.289 -2.755 -21.272 1.00 32.21 H new ATOM 0 HB3 CYS A 72 -17.276 -2.745 -19.520 1.00 32.21 H new ATOM 1126 N TYR A 73 -14.898 -1.441 -22.300 1.00 50.21 N ATOM 1127 CA TYR A 73 -14.385 -1.262 -23.653 1.00 51.22 C ATOM 1128 C TYR A 73 -13.979 -2.600 -24.263 1.00 45.32 C ATOM 1129 O TYR A 73 -13.570 -3.520 -23.555 1.00 71.41 O ATOM 1130 CB TYR A 73 -13.190 -0.308 -23.646 1.00 4.32 C ATOM 1131 CG TYR A 73 -13.307 0.803 -22.626 1.00 72.42 C ATOM 1132 CD1 TYR A 73 -12.876 0.620 -21.318 1.00 42.12 C ATOM 1133 CD2 TYR A 73 -13.849 2.035 -22.971 1.00 61.34 C ATOM 1134 CE1 TYR A 73 -12.982 1.632 -20.383 1.00 72.53 C ATOM 1135 CE2 TYR A 73 -13.958 3.052 -22.044 1.00 2.45 C ATOM 1136 CZ TYR A 73 -13.524 2.846 -20.751 1.00 24.22 C ATOM 1137 OH TYR A 73 -13.630 3.856 -19.823 1.00 1.32 O ATOM 0 H TYR A 73 -14.402 -2.142 -21.750 1.00 50.21 H new ATOM 0 HA TYR A 73 -15.180 -0.832 -24.262 1.00 51.22 H new ATOM 0 HB2 TYR A 73 -12.282 -0.878 -23.448 1.00 4.32 H new ATOM 0 HB3 TYR A 73 -13.080 0.131 -24.638 1.00 4.32 H new ATOM 0 HD1 TYR A 73 -12.451 -0.329 -21.027 1.00 42.12 H new ATOM 0 HD2 TYR A 73 -14.191 2.200 -23.982 1.00 61.34 H new ATOM 0 HE1 TYR A 73 -12.643 1.473 -19.370 1.00 72.53 H new ATOM 0 HE2 TYR A 73 -14.381 4.004 -22.330 1.00 2.45 H new ATOM 0 HH TYR A 73 -12.753 4.021 -19.417 1.00 1.32 H new ATOM 1147 N LYS A 74 -14.093 -2.700 -25.583 1.00 41.32 N ATOM 1148 CA LYS A 74 -13.736 -3.923 -26.292 1.00 52.11 C ATOM 1149 C LYS A 74 -12.482 -3.717 -27.136 1.00 54.20 C ATOM 1150 O LYS A 74 -12.329 -2.689 -27.796 1.00 2.03 O ATOM 1151 CB LYS A 74 -14.895 -4.377 -27.183 1.00 43.31 C ATOM 1152 CG LYS A 74 -15.915 -5.240 -26.461 1.00 53.45 C ATOM 1153 CD LYS A 74 -17.077 -5.607 -27.370 1.00 0.35 C ATOM 1154 CE LYS A 74 -18.079 -6.502 -26.658 1.00 33.32 C ATOM 1155 NZ LYS A 74 -19.396 -6.523 -27.353 1.00 71.21 N ATOM 0 H LYS A 74 -14.430 -1.948 -26.184 1.00 41.32 H new ATOM 0 HA LYS A 74 -13.531 -4.696 -25.551 1.00 52.11 H new ATOM 0 HB2 LYS A 74 -15.397 -3.498 -27.588 1.00 43.31 H new ATOM 0 HB3 LYS A 74 -14.495 -4.934 -28.030 1.00 43.31 H new ATOM 0 HG2 LYS A 74 -15.434 -6.149 -26.099 1.00 53.45 H new ATOM 0 HG3 LYS A 74 -16.290 -4.708 -25.587 1.00 53.45 H new ATOM 0 HD2 LYS A 74 -17.575 -4.699 -27.710 1.00 0.35 H new ATOM 0 HD3 LYS A 74 -16.700 -6.115 -28.258 1.00 0.35 H new ATOM 0 HE2 LYS A 74 -17.683 -7.516 -26.600 1.00 33.32 H new ATOM 0 HE3 LYS A 74 -18.214 -6.153 -25.634 1.00 33.32 H new ATOM 0 HZ1 LYS A 74 -20.051 -7.144 -26.837 1.00 71.21 H new ATOM 0 HZ2 LYS A 74 -19.786 -5.560 -27.387 1.00 71.21 H new ATOM 0 HZ3 LYS A 74 -19.272 -6.880 -28.322 1.00 71.21 H new ATOM 1169 N SER A 75 -11.590 -4.701 -27.111 1.00 65.13 N ATOM 1170 CA SER A 75 -10.348 -4.626 -27.873 1.00 30.25 C ATOM 1171 C SER A 75 -10.632 -4.409 -29.356 1.00 34.33 C ATOM 1172 O SER A 75 -11.534 -5.025 -29.922 1.00 60.14 O ATOM 1173 CB SER A 75 -9.529 -5.904 -27.680 1.00 72.12 C ATOM 1174 OG SER A 75 -10.330 -7.057 -27.876 1.00 44.01 O ATOM 0 H SER A 75 -11.703 -5.559 -26.572 1.00 65.13 H new ATOM 0 HA SER A 75 -9.775 -3.776 -27.503 1.00 30.25 H new ATOM 0 HB2 SER A 75 -8.694 -5.914 -28.381 1.00 72.12 H new ATOM 0 HB3 SER A 75 -9.103 -5.919 -26.677 1.00 72.12 H new ATOM 0 HG SER A 75 -10.089 -7.482 -28.726 1.00 44.01 H new ATOM 1180 N ASN A 76 -9.856 -3.528 -29.978 1.00 24.50 N ATOM 1181 CA ASN A 76 -10.023 -3.229 -31.395 1.00 53.34 C ATOM 1182 C ASN A 76 -9.762 -4.467 -32.248 1.00 11.31 C ATOM 1183 O ASN A 76 -9.981 -4.456 -33.459 1.00 70.41 O ATOM 1184 CB ASN A 76 -9.080 -2.099 -31.814 1.00 71.01 C ATOM 1185 CG ASN A 76 -9.823 -0.909 -32.389 1.00 52.32 C ATOM 1186 OD1 ASN A 76 -9.732 -0.624 -33.583 1.00 43.53 O ATOM 1187 ND2 ASN A 76 -10.564 -0.207 -31.539 1.00 72.24 N ATOM 0 H ASN A 76 -9.105 -3.009 -29.523 1.00 24.50 H new ATOM 0 HA ASN A 76 -11.053 -2.911 -31.554 1.00 53.34 H new ATOM 0 HB2 ASN A 76 -8.497 -1.777 -30.951 1.00 71.01 H new ATOM 0 HB3 ASN A 76 -8.373 -2.475 -32.554 1.00 71.01 H new ATOM 0 HD21 ASN A 76 -11.087 0.605 -31.868 1.00 72.24 H new ATOM 0 HD22 ASN A 76 -10.610 -0.480 -30.557 1.00 72.24 H new ATOM 1194 N SER A 77 -9.293 -5.532 -31.606 1.00 73.22 N ATOM 1195 CA SER A 77 -8.999 -6.777 -32.306 1.00 30.44 C ATOM 1196 C SER A 77 -8.826 -7.927 -31.318 1.00 22.31 C ATOM 1197 O SER A 77 -8.837 -7.724 -30.104 1.00 25.41 O ATOM 1198 CB SER A 77 -7.735 -6.624 -33.154 1.00 72.10 C ATOM 1199 OG SER A 77 -7.997 -6.913 -34.516 1.00 54.03 O ATOM 0 H SER A 77 -9.109 -5.558 -30.603 1.00 73.22 H new ATOM 0 HA SER A 77 -9.841 -7.005 -32.960 1.00 30.44 H new ATOM 0 HB2 SER A 77 -7.352 -5.608 -33.062 1.00 72.10 H new ATOM 0 HB3 SER A 77 -6.959 -7.292 -32.780 1.00 72.10 H new ATOM 0 HG SER A 77 -7.174 -6.806 -35.037 1.00 54.03 H new ATOM 1205 N SER A 78 -8.666 -9.136 -31.848 1.00 52.43 N ATOM 1206 CA SER A 78 -8.494 -10.320 -31.015 1.00 15.33 C ATOM 1207 C SER A 78 -7.377 -10.110 -29.997 1.00 60.33 C ATOM 1208 O SER A 78 -6.631 -9.135 -30.071 1.00 2.51 O ATOM 1209 CB SER A 78 -8.186 -11.541 -31.884 1.00 14.34 C ATOM 1210 OG SER A 78 -6.905 -11.433 -32.478 1.00 64.22 O ATOM 0 H SER A 78 -8.652 -9.321 -32.851 1.00 52.43 H new ATOM 0 HA SER A 78 -9.425 -10.493 -30.476 1.00 15.33 H new ATOM 0 HB2 SER A 78 -8.234 -12.445 -31.277 1.00 14.34 H new ATOM 0 HB3 SER A 78 -8.944 -11.639 -32.661 1.00 14.34 H new ATOM 0 HG SER A 78 -6.731 -12.226 -33.027 1.00 64.22 H new ATOM 1216 N MET A 79 -7.269 -11.034 -29.048 1.00 62.32 N ATOM 1217 CA MET A 79 -6.242 -10.952 -28.016 1.00 20.31 C ATOM 1218 C MET A 79 -5.971 -12.325 -27.409 1.00 22.04 C ATOM 1219 O MET A 79 -6.898 -13.038 -27.023 1.00 64.40 O ATOM 1220 CB MET A 79 -6.667 -9.972 -26.921 1.00 23.12 C ATOM 1221 CG MET A 79 -5.574 -8.993 -26.525 1.00 2.53 C ATOM 1222 SD MET A 79 -5.736 -7.399 -27.352 1.00 55.30 S ATOM 1223 CE MET A 79 -5.590 -6.279 -25.962 1.00 23.13 C ATOM 0 H MET A 79 -7.880 -11.848 -28.972 1.00 62.32 H new ATOM 0 HA MET A 79 -5.324 -10.592 -28.480 1.00 20.31 H new ATOM 0 HB2 MET A 79 -7.538 -9.413 -27.263 1.00 23.12 H new ATOM 0 HB3 MET A 79 -6.976 -10.535 -26.040 1.00 23.12 H new ATOM 0 HG2 MET A 79 -5.600 -8.842 -25.446 1.00 2.53 H new ATOM 0 HG3 MET A 79 -4.602 -9.424 -26.763 1.00 2.53 H new ATOM 0 HE1 MET A 79 -5.264 -5.301 -26.316 1.00 23.13 H new ATOM 0 HE2 MET A 79 -6.557 -6.183 -25.469 1.00 23.13 H new ATOM 0 HE3 MET A 79 -4.860 -6.671 -25.254 1.00 23.13 H new ATOM 1233 N HIS A 80 -4.695 -12.689 -27.327 1.00 31.55 N ATOM 1234 CA HIS A 80 -4.302 -13.977 -26.766 1.00 35.45 C ATOM 1235 C HIS A 80 -4.782 -14.111 -25.323 1.00 52.33 C ATOM 1236 O HIS A 80 -4.589 -13.207 -24.509 1.00 70.41 O ATOM 1237 CB HIS A 80 -2.784 -14.143 -26.827 1.00 43.24 C ATOM 1238 CG HIS A 80 -2.203 -13.844 -28.175 1.00 72.23 C ATOM 1239 ND1 HIS A 80 -0.946 -13.305 -28.351 1.00 13.13 N ATOM 1240 CD2 HIS A 80 -2.715 -14.014 -29.417 1.00 24.30 C ATOM 1241 CE1 HIS A 80 -0.710 -13.155 -29.642 1.00 13.42 C ATOM 1242 NE2 HIS A 80 -1.768 -13.578 -30.311 1.00 3.03 N ATOM 0 H HIS A 80 -3.916 -12.111 -27.642 1.00 31.55 H new ATOM 0 HA HIS A 80 -4.770 -14.761 -27.361 1.00 35.45 H new ATOM 0 HB2 HIS A 80 -2.325 -13.486 -26.089 1.00 43.24 H new ATOM 0 HB3 HIS A 80 -2.527 -15.165 -26.548 1.00 43.24 H new ATOM 0 HD1 HIS A 80 -0.299 -13.060 -27.601 1.00 13.13 H new ATOM 0 HD2 HIS A 80 -3.687 -14.417 -29.659 1.00 24.30 H new ATOM 0 HE1 HIS A 80 0.194 -12.755 -30.077 1.00 13.42 H new ATOM 1250 N ILE A 81 -5.408 -15.241 -25.015 1.00 73.44 N ATOM 1251 CA ILE A 81 -5.915 -15.492 -23.672 1.00 0.02 C ATOM 1252 C ILE A 81 -6.056 -16.987 -23.407 1.00 71.24 C ATOM 1253 O ILE A 81 -6.120 -17.791 -24.338 1.00 44.14 O ATOM 1254 CB ILE A 81 -7.279 -14.812 -23.448 1.00 45.34 C ATOM 1255 CG1 ILE A 81 -8.356 -15.488 -24.298 1.00 61.34 C ATOM 1256 CG2 ILE A 81 -7.191 -13.329 -23.777 1.00 3.22 C ATOM 1257 CD1 ILE A 81 -8.366 -15.028 -25.739 1.00 54.12 C ATOM 0 H ILE A 81 -5.576 -15.998 -25.678 1.00 73.44 H new ATOM 0 HA ILE A 81 -5.189 -15.069 -22.978 1.00 0.02 H new ATOM 0 HB ILE A 81 -7.553 -14.916 -22.398 1.00 45.34 H new ATOM 0 HG12 ILE A 81 -8.205 -16.567 -24.271 1.00 61.34 H new ATOM 0 HG13 ILE A 81 -9.333 -15.292 -23.856 1.00 61.34 H new ATOM 0 HG21 ILE A 81 -8.162 -12.862 -23.614 1.00 3.22 H new ATOM 0 HG22 ILE A 81 -6.449 -12.857 -23.133 1.00 3.22 H new ATOM 0 HG23 ILE A 81 -6.899 -13.204 -24.820 1.00 3.22 H new ATOM 0 HD11 ILE A 81 -9.155 -15.549 -26.282 1.00 54.12 H new ATOM 0 HD12 ILE A 81 -8.548 -13.954 -25.777 1.00 54.12 H new ATOM 0 HD13 ILE A 81 -7.403 -15.249 -26.198 1.00 54.12 H new ATOM 1269 N THR A 82 -6.106 -17.355 -22.131 1.00 15.22 N ATOM 1270 CA THR A 82 -6.241 -18.753 -21.743 1.00 30.12 C ATOM 1271 C THR A 82 -7.486 -18.970 -20.890 1.00 40.23 C ATOM 1272 O THR A 82 -7.495 -18.661 -19.699 1.00 14.34 O ATOM 1273 CB THR A 82 -5.006 -19.241 -20.961 1.00 54.35 C ATOM 1274 OG1 THR A 82 -3.824 -19.051 -21.746 1.00 63.43 O ATOM 1275 CG2 THR A 82 -5.146 -20.710 -20.591 1.00 44.42 C ATOM 0 H THR A 82 -6.055 -16.703 -21.348 1.00 15.22 H new ATOM 0 HA THR A 82 -6.330 -19.329 -22.664 1.00 30.12 H new ATOM 0 HB THR A 82 -4.929 -18.658 -20.043 1.00 54.35 H new ATOM 0 HG1 THR A 82 -3.346 -18.256 -21.431 1.00 63.43 H new ATOM 0 HG21 THR A 82 -4.263 -21.032 -20.040 1.00 44.42 H new ATOM 0 HG22 THR A 82 -6.031 -20.846 -19.970 1.00 44.42 H new ATOM 0 HG23 THR A 82 -5.245 -21.306 -21.498 1.00 44.42 H new ATOM 1283 N ASP A 83 -8.534 -19.503 -21.508 1.00 34.24 N ATOM 1284 CA ASP A 83 -9.785 -19.763 -20.804 1.00 72.02 C ATOM 1285 C ASP A 83 -9.567 -20.733 -19.647 1.00 64.45 C ATOM 1286 O ASP A 83 -8.906 -21.761 -19.801 1.00 42.05 O ATOM 1287 CB ASP A 83 -10.830 -20.327 -21.769 1.00 1.34 C ATOM 1288 CG ASP A 83 -11.266 -19.312 -22.808 1.00 24.34 C ATOM 1289 OD1 ASP A 83 -10.465 -19.014 -23.718 1.00 44.32 O ATOM 1290 OD2 ASP A 83 -12.408 -18.818 -22.711 1.00 0.23 O ATOM 0 H ASP A 83 -8.543 -19.763 -22.494 1.00 34.24 H new ATOM 0 HA ASP A 83 -10.148 -18.819 -20.398 1.00 72.02 H new ATOM 0 HB2 ASP A 83 -10.421 -21.204 -22.271 1.00 1.34 H new ATOM 0 HB3 ASP A 83 -11.700 -20.660 -21.203 1.00 1.34 H new ATOM 1295 N CYS A 84 -10.125 -20.400 -18.489 1.00 0.13 N ATOM 1296 CA CYS A 84 -9.990 -21.240 -17.305 1.00 15.13 C ATOM 1297 C CYS A 84 -11.328 -21.383 -16.584 1.00 52.24 C ATOM 1298 O CYS A 84 -11.760 -20.478 -15.869 1.00 64.24 O ATOM 1299 CB CYS A 84 -8.946 -20.653 -16.353 1.00 15.40 C ATOM 1300 SG CYS A 84 -7.402 -20.138 -17.170 1.00 24.11 S ATOM 0 H CYS A 84 -10.676 -19.554 -18.345 1.00 0.13 H new ATOM 0 HA CYS A 84 -9.663 -22.229 -17.627 1.00 15.13 H new ATOM 0 HB2 CYS A 84 -9.379 -19.793 -15.842 1.00 15.40 H new ATOM 0 HB3 CYS A 84 -8.711 -21.393 -15.588 1.00 15.40 H new ATOM 1305 N ARG A 85 -11.979 -22.525 -16.778 1.00 71.23 N ATOM 1306 CA ARG A 85 -13.268 -22.787 -16.148 1.00 43.54 C ATOM 1307 C ARG A 85 -13.279 -24.159 -15.482 1.00 61.45 C ATOM 1308 O ARG A 85 -12.796 -25.140 -16.050 1.00 32.53 O ATOM 1309 CB ARG A 85 -14.392 -22.700 -17.183 1.00 23.43 C ATOM 1310 CG ARG A 85 -15.762 -23.047 -16.623 1.00 41.33 C ATOM 1311 CD ARG A 85 -16.482 -24.059 -17.500 1.00 70.03 C ATOM 1312 NE ARG A 85 -17.501 -24.798 -16.760 1.00 13.32 N ATOM 1313 CZ ARG A 85 -18.736 -24.350 -16.564 1.00 14.22 C ATOM 1314 NH1 ARG A 85 -19.103 -23.173 -17.051 1.00 55.32 N ATOM 1315 NH2 ARG A 85 -19.607 -25.080 -15.879 1.00 75.22 N ATOM 0 H ARG A 85 -11.635 -23.284 -17.366 1.00 71.23 H new ATOM 0 HA ARG A 85 -13.430 -22.030 -15.381 1.00 43.54 H new ATOM 0 HB2 ARG A 85 -14.421 -21.690 -17.592 1.00 23.43 H new ATOM 0 HB3 ARG A 85 -14.166 -23.373 -18.010 1.00 23.43 H new ATOM 0 HG2 ARG A 85 -15.653 -23.449 -15.616 1.00 41.33 H new ATOM 0 HG3 ARG A 85 -16.363 -22.141 -16.542 1.00 41.33 H new ATOM 0 HD2 ARG A 85 -16.947 -23.544 -18.341 1.00 70.03 H new ATOM 0 HD3 ARG A 85 -15.757 -24.759 -17.916 1.00 70.03 H new ATOM 0 HE ARG A 85 -17.251 -25.708 -16.372 1.00 13.32 H new ATOM 0 HH11 ARG A 85 -18.436 -22.609 -17.578 1.00 55.32 H new ATOM 0 HH12 ARG A 85 -20.052 -22.832 -16.899 1.00 55.32 H new ATOM 0 HH21 ARG A 85 -19.328 -25.986 -15.502 1.00 75.22 H new ATOM 0 HH22 ARG A 85 -20.555 -24.735 -15.729 1.00 75.22 H new ATOM 1329 N LEU A 86 -13.832 -24.221 -14.276 1.00 61.43 N ATOM 1330 CA LEU A 86 -13.906 -25.474 -13.532 1.00 2.10 C ATOM 1331 C LEU A 86 -14.529 -26.577 -14.382 1.00 43.41 C ATOM 1332 O LEU A 86 -15.476 -26.338 -15.132 1.00 33.03 O ATOM 1333 CB LEU A 86 -14.719 -25.281 -12.251 1.00 22.44 C ATOM 1334 CG LEU A 86 -13.917 -25.218 -10.950 1.00 41.32 C ATOM 1335 CD1 LEU A 86 -14.846 -25.058 -9.757 1.00 75.12 C ATOM 1336 CD2 LEU A 86 -13.054 -26.462 -10.794 1.00 15.30 C ATOM 0 H LEU A 86 -14.236 -23.419 -13.792 1.00 61.43 H new ATOM 0 HA LEU A 86 -12.891 -25.773 -13.270 1.00 2.10 H new ATOM 0 HB2 LEU A 86 -15.294 -24.360 -12.345 1.00 22.44 H new ATOM 0 HB3 LEU A 86 -15.436 -26.098 -12.173 1.00 22.44 H new ATOM 0 HG LEU A 86 -13.261 -24.349 -10.992 1.00 41.32 H new ATOM 0 HD11 LEU A 86 -14.257 -25.015 -8.841 1.00 75.12 H new ATOM 0 HD12 LEU A 86 -15.419 -24.137 -9.863 1.00 75.12 H new ATOM 0 HD13 LEU A 86 -15.528 -25.907 -9.711 1.00 75.12 H new ATOM 0 HD21 LEU A 86 -12.491 -26.400 -9.863 1.00 15.30 H new ATOM 0 HD22 LEU A 86 -13.691 -27.346 -10.774 1.00 15.30 H new ATOM 0 HD23 LEU A 86 -12.362 -26.532 -11.633 1.00 15.30 H new ATOM 1348 N THR A 87 -13.992 -27.787 -14.259 1.00 45.52 N ATOM 1349 CA THR A 87 -14.495 -28.927 -15.015 1.00 2.43 C ATOM 1350 C THR A 87 -15.486 -29.739 -14.189 1.00 50.13 C ATOM 1351 O THR A 87 -15.380 -29.807 -12.966 1.00 10.24 O ATOM 1352 CB THR A 87 -13.348 -29.848 -15.472 1.00 32.02 C ATOM 1353 OG1 THR A 87 -12.182 -29.611 -14.676 1.00 0.34 O ATOM 1354 CG2 THR A 87 -13.022 -29.618 -16.940 1.00 23.23 C ATOM 0 H THR A 87 -13.208 -28.003 -13.643 1.00 45.52 H new ATOM 0 HA THR A 87 -15.001 -28.526 -15.894 1.00 2.43 H new ATOM 0 HB THR A 87 -13.669 -30.882 -15.345 1.00 32.02 H new ATOM 0 HG1 THR A 87 -12.419 -29.661 -13.726 1.00 0.34 H new ATOM 0 HG21 THR A 87 -12.209 -30.279 -17.240 1.00 23.23 H new ATOM 0 HG22 THR A 87 -13.903 -29.828 -17.546 1.00 23.23 H new ATOM 0 HG23 THR A 87 -12.719 -28.581 -17.087 1.00 23.23 H new ATOM 1362 N ASN A 88 -16.449 -30.355 -14.867 1.00 52.44 N ATOM 1363 CA ASN A 88 -17.460 -31.163 -14.196 1.00 20.34 C ATOM 1364 C ASN A 88 -16.810 -32.194 -13.277 1.00 40.40 C ATOM 1365 O ASN A 88 -16.318 -33.225 -13.733 1.00 42.43 O ATOM 1366 CB ASN A 88 -18.346 -31.868 -15.225 1.00 0.02 C ATOM 1367 CG ASN A 88 -19.806 -31.477 -15.095 1.00 64.51 C ATOM 1368 OD1 ASN A 88 -20.503 -31.932 -14.188 1.00 71.23 O ATOM 1369 ND2 ASN A 88 -20.274 -30.631 -16.004 1.00 53.43 N ATOM 0 H ASN A 88 -16.550 -30.310 -15.881 1.00 52.44 H new ATOM 0 HA ASN A 88 -18.077 -30.499 -13.590 1.00 20.34 H new ATOM 0 HB2 ASN A 88 -17.996 -31.626 -16.228 1.00 0.02 H new ATOM 0 HB3 ASN A 88 -18.250 -32.947 -15.105 1.00 0.02 H new ATOM 0 HD21 ASN A 88 -21.249 -30.332 -15.969 1.00 53.43 H new ATOM 0 HD22 ASN A 88 -19.659 -30.280 -16.738 1.00 53.43 H new ATOM 1376 N GLY A 89 -16.813 -31.907 -11.979 1.00 0.53 N ATOM 1377 CA GLY A 89 -16.222 -32.818 -11.016 1.00 44.42 C ATOM 1378 C GLY A 89 -15.170 -32.148 -10.154 1.00 51.30 C ATOM 1379 O GLY A 89 -15.065 -32.429 -8.960 1.00 71.13 O ATOM 0 H GLY A 89 -17.214 -31.060 -11.577 1.00 0.53 H new ATOM 0 HA2 GLY A 89 -17.006 -33.225 -10.377 1.00 44.42 H new ATOM 0 HA3 GLY A 89 -15.773 -33.659 -11.544 1.00 44.42 H new ATOM 1383 N SER A 90 -14.388 -31.260 -10.760 1.00 12.22 N ATOM 1384 CA SER A 90 -13.336 -30.552 -10.041 1.00 5.14 C ATOM 1385 C SER A 90 -13.930 -29.593 -9.013 1.00 24.40 C ATOM 1386 O SER A 90 -14.489 -28.556 -9.367 1.00 12.52 O ATOM 1387 CB SER A 90 -12.449 -29.781 -11.020 1.00 64.45 C ATOM 1388 OG SER A 90 -13.189 -29.353 -12.150 1.00 60.44 O ATOM 0 H SER A 90 -14.463 -31.014 -11.747 1.00 12.22 H new ATOM 0 HA SER A 90 -12.730 -31.290 -9.516 1.00 5.14 H new ATOM 0 HB2 SER A 90 -12.013 -28.917 -10.518 1.00 64.45 H new ATOM 0 HB3 SER A 90 -11.622 -30.413 -11.341 1.00 64.45 H new ATOM 0 HG SER A 90 -14.139 -29.299 -11.917 1.00 60.44 H new ATOM 1394 N ARG A 91 -13.803 -29.950 -7.739 1.00 14.52 N ATOM 1395 CA ARG A 91 -14.328 -29.123 -6.659 1.00 14.31 C ATOM 1396 C ARG A 91 -13.330 -29.033 -5.508 1.00 50.35 C ATOM 1397 O ARG A 91 -12.417 -29.851 -5.400 1.00 61.40 O ATOM 1398 CB ARG A 91 -15.656 -29.690 -6.153 1.00 10.01 C ATOM 1399 CG ARG A 91 -16.803 -28.694 -6.204 1.00 1.23 C ATOM 1400 CD ARG A 91 -16.451 -27.402 -5.483 1.00 1.20 C ATOM 1401 NE ARG A 91 -17.597 -26.502 -5.381 1.00 62.13 N ATOM 1402 CZ ARG A 91 -17.487 -25.186 -5.242 1.00 54.44 C ATOM 1403 NH1 ARG A 91 -16.290 -24.618 -5.190 1.00 31.45 N ATOM 1404 NH2 ARG A 91 -18.577 -24.433 -5.157 1.00 32.42 N ATOM 0 H ARG A 91 -13.342 -30.805 -7.430 1.00 14.52 H new ATOM 0 HA ARG A 91 -14.495 -28.120 -7.052 1.00 14.31 H new ATOM 0 HB2 ARG A 91 -15.919 -30.564 -6.749 1.00 10.01 H new ATOM 0 HB3 ARG A 91 -15.528 -30.031 -5.126 1.00 10.01 H new ATOM 0 HG2 ARG A 91 -17.051 -28.476 -7.243 1.00 1.23 H new ATOM 0 HG3 ARG A 91 -17.690 -29.135 -5.750 1.00 1.23 H new ATOM 0 HD2 ARG A 91 -16.082 -27.633 -4.484 1.00 1.20 H new ATOM 0 HD3 ARG A 91 -15.642 -26.900 -6.013 1.00 1.20 H new ATOM 0 HE ARG A 91 -18.533 -26.906 -5.419 1.00 62.13 H new ATOM 0 HH11 ARG A 91 -15.450 -25.192 -5.257 1.00 31.45 H new ATOM 0 HH12 ARG A 91 -16.210 -23.607 -5.083 1.00 31.45 H new ATOM 0 HH21 ARG A 91 -19.500 -24.865 -5.198 1.00 32.42 H new ATOM 0 HH22 ARG A 91 -18.492 -23.422 -5.050 1.00 32.42 H new ATOM 1418 N TYR A 92 -13.510 -28.033 -4.653 1.00 12.22 N ATOM 1419 CA TYR A 92 -12.624 -27.834 -3.512 1.00 42.33 C ATOM 1420 C TYR A 92 -12.485 -29.117 -2.700 1.00 30.44 C ATOM 1421 O TYR A 92 -13.460 -29.819 -2.427 1.00 44.32 O ATOM 1422 CB TYR A 92 -13.150 -26.707 -2.621 1.00 62.14 C ATOM 1423 CG TYR A 92 -12.125 -26.180 -1.643 1.00 23.54 C ATOM 1424 CD1 TYR A 92 -11.690 -26.958 -0.576 1.00 72.21 C ATOM 1425 CD2 TYR A 92 -11.592 -24.905 -1.783 1.00 65.33 C ATOM 1426 CE1 TYR A 92 -10.754 -26.481 0.321 1.00 34.12 C ATOM 1427 CE2 TYR A 92 -10.654 -24.421 -0.892 1.00 12.42 C ATOM 1428 CZ TYR A 92 -10.239 -25.212 0.159 1.00 71.02 C ATOM 1429 OH TYR A 92 -9.307 -24.732 1.050 1.00 64.31 O ATOM 0 H TYR A 92 -14.261 -27.347 -4.728 1.00 12.22 H new ATOM 0 HA TYR A 92 -11.640 -27.558 -3.892 1.00 42.33 H new ATOM 0 HB2 TYR A 92 -13.493 -25.887 -3.252 1.00 62.14 H new ATOM 0 HB3 TYR A 92 -14.017 -27.068 -2.067 1.00 62.14 H new ATOM 0 HD1 TYR A 92 -12.091 -27.952 -0.446 1.00 72.21 H new ATOM 0 HD2 TYR A 92 -11.917 -24.281 -2.603 1.00 65.33 H new ATOM 0 HE1 TYR A 92 -10.427 -27.098 1.145 1.00 34.12 H new ATOM 0 HE2 TYR A 92 -10.248 -23.428 -1.018 1.00 12.42 H new ATOM 0 HH TYR A 92 -9.046 -23.823 0.793 1.00 64.31 H new ATOM 1439 N PRO A 93 -11.244 -29.433 -2.302 1.00 23.14 N ATOM 1440 CA PRO A 93 -10.076 -28.606 -2.620 1.00 61.22 C ATOM 1441 C PRO A 93 -9.719 -28.654 -4.102 1.00 25.12 C ATOM 1442 O PRO A 93 -9.083 -27.741 -4.626 1.00 45.11 O ATOM 1443 CB PRO A 93 -8.959 -29.231 -1.780 1.00 51.03 C ATOM 1444 CG PRO A 93 -9.382 -30.645 -1.579 1.00 34.11 C ATOM 1445 CD PRO A 93 -10.884 -30.622 -1.510 1.00 54.14 C ATOM 0 HA PRO A 93 -10.251 -27.552 -2.404 1.00 61.22 H new ATOM 0 HB2 PRO A 93 -7.999 -29.174 -2.293 1.00 51.03 H new ATOM 0 HB3 PRO A 93 -8.843 -28.713 -0.828 1.00 51.03 H new ATOM 0 HG2 PRO A 93 -9.039 -31.275 -2.399 1.00 34.11 H new ATOM 0 HG3 PRO A 93 -8.955 -31.053 -0.663 1.00 34.11 H new ATOM 0 HD2 PRO A 93 -11.319 -31.530 -1.928 1.00 54.14 H new ATOM 0 HD3 PRO A 93 -11.238 -30.542 -0.482 1.00 54.14 H new ATOM 1453 N ASN A 94 -10.132 -29.725 -4.771 1.00 74.03 N ATOM 1454 CA ASN A 94 -9.855 -29.891 -6.194 1.00 34.45 C ATOM 1455 C ASN A 94 -10.330 -28.677 -6.986 1.00 31.21 C ATOM 1456 O ASN A 94 -11.517 -28.349 -6.989 1.00 71.42 O ATOM 1457 CB ASN A 94 -10.534 -31.157 -6.722 1.00 15.40 C ATOM 1458 CG ASN A 94 -10.748 -32.194 -5.637 1.00 34.21 C ATOM 1459 OD1 ASN A 94 -11.865 -32.667 -5.426 1.00 15.31 O ATOM 1460 ND2 ASN A 94 -9.675 -32.553 -4.942 1.00 72.53 N ATOM 0 H ASN A 94 -10.659 -30.491 -4.352 1.00 74.03 H new ATOM 0 HA ASN A 94 -8.776 -29.985 -6.321 1.00 34.45 H new ATOM 0 HB2 ASN A 94 -11.495 -30.893 -7.163 1.00 15.40 H new ATOM 0 HB3 ASN A 94 -9.926 -31.588 -7.517 1.00 15.40 H new ATOM 0 HD21 ASN A 94 -9.757 -33.247 -4.199 1.00 72.53 H new ATOM 0 HD22 ASN A 94 -8.768 -32.135 -5.151 1.00 72.53 H new ATOM 1467 N CYS A 95 -9.395 -28.013 -7.657 1.00 71.44 N ATOM 1468 CA CYS A 95 -9.716 -26.836 -8.454 1.00 51.52 C ATOM 1469 C CYS A 95 -9.393 -27.070 -9.927 1.00 21.40 C ATOM 1470 O CYS A 95 -9.276 -26.125 -10.706 1.00 3.12 O ATOM 1471 CB CYS A 95 -8.944 -25.619 -7.939 1.00 22.41 C ATOM 1472 SG CYS A 95 -9.643 -24.881 -6.428 1.00 3.44 S ATOM 0 H CYS A 95 -8.408 -28.271 -7.664 1.00 71.44 H new ATOM 0 HA CYS A 95 -10.785 -26.647 -8.361 1.00 51.52 H new ATOM 0 HB2 CYS A 95 -7.913 -25.912 -7.744 1.00 22.41 H new ATOM 0 HB3 CYS A 95 -8.917 -24.861 -8.722 1.00 22.41 H new ATOM 1477 N ALA A 96 -9.250 -28.338 -10.301 1.00 13.21 N ATOM 1478 CA ALA A 96 -8.943 -28.698 -11.680 1.00 12.44 C ATOM 1479 C ALA A 96 -9.841 -27.945 -12.656 1.00 65.02 C ATOM 1480 O ALA A 96 -11.004 -28.300 -12.845 1.00 72.21 O ATOM 1481 CB ALA A 96 -9.087 -30.199 -11.878 1.00 22.34 C ATOM 0 H ALA A 96 -9.342 -29.133 -9.668 1.00 13.21 H new ATOM 0 HA ALA A 96 -7.911 -28.414 -11.883 1.00 12.44 H new ATOM 0 HB1 ALA A 96 -8.855 -30.454 -12.912 1.00 22.34 H new ATOM 0 HB2 ALA A 96 -8.400 -30.721 -11.213 1.00 22.34 H new ATOM 0 HB3 ALA A 96 -10.110 -30.499 -11.651 1.00 22.34 H new ATOM 1487 N TYR A 97 -9.293 -26.904 -13.274 1.00 21.24 N ATOM 1488 CA TYR A 97 -10.045 -26.100 -14.229 1.00 13.52 C ATOM 1489 C TYR A 97 -9.837 -26.607 -15.652 1.00 71.43 C ATOM 1490 O TYR A 97 -9.109 -27.574 -15.878 1.00 44.22 O ATOM 1491 CB TYR A 97 -9.626 -24.632 -14.133 1.00 11.43 C ATOM 1492 CG TYR A 97 -9.644 -24.088 -12.722 1.00 52.20 C ATOM 1493 CD1 TYR A 97 -10.767 -24.231 -11.916 1.00 22.33 C ATOM 1494 CD2 TYR A 97 -8.540 -23.430 -12.196 1.00 4.24 C ATOM 1495 CE1 TYR A 97 -10.788 -23.736 -10.626 1.00 53.54 C ATOM 1496 CE2 TYR A 97 -8.552 -22.932 -10.907 1.00 64.21 C ATOM 1497 CZ TYR A 97 -9.678 -23.087 -10.127 1.00 32.35 C ATOM 1498 OH TYR A 97 -9.695 -22.592 -8.843 1.00 3.31 O ATOM 0 H TYR A 97 -8.331 -26.598 -13.130 1.00 21.24 H new ATOM 0 HA TYR A 97 -11.103 -26.186 -13.983 1.00 13.52 H new ATOM 0 HB2 TYR A 97 -8.622 -24.522 -14.543 1.00 11.43 H new ATOM 0 HB3 TYR A 97 -10.291 -24.032 -14.753 1.00 11.43 H new ATOM 0 HD1 TYR A 97 -11.638 -24.738 -12.304 1.00 22.33 H new ATOM 0 HD2 TYR A 97 -7.657 -23.305 -12.805 1.00 4.24 H new ATOM 0 HE1 TYR A 97 -11.668 -23.857 -10.012 1.00 53.54 H new ATOM 0 HE2 TYR A 97 -7.684 -22.424 -10.513 1.00 64.21 H new ATOM 0 HH TYR A 97 -10.150 -23.229 -8.253 1.00 3.31 H new ATOM 1508 N ARG A 98 -10.482 -25.948 -16.609 1.00 51.10 N ATOM 1509 CA ARG A 98 -10.369 -26.332 -18.011 1.00 0.50 C ATOM 1510 C ARG A 98 -9.536 -25.315 -18.787 1.00 73.42 C ATOM 1511 O ARG A 98 -10.008 -24.224 -19.108 1.00 13.04 O ATOM 1512 CB ARG A 98 -11.757 -26.457 -18.641 1.00 53.01 C ATOM 1513 CG ARG A 98 -12.022 -27.817 -19.266 1.00 31.24 C ATOM 1514 CD ARG A 98 -11.777 -27.798 -20.766 1.00 75.23 C ATOM 1515 NE ARG A 98 -11.272 -29.078 -21.255 1.00 32.53 N ATOM 1516 CZ ARG A 98 -9.987 -29.415 -21.240 1.00 33.42 C ATOM 1517 NH1 ARG A 98 -9.083 -28.571 -20.763 1.00 63.31 N ATOM 1518 NH2 ARG A 98 -9.605 -30.599 -21.702 1.00 31.12 N ATOM 0 H ARG A 98 -11.088 -25.146 -16.439 1.00 51.10 H new ATOM 0 HA ARG A 98 -9.868 -27.299 -18.058 1.00 0.50 H new ATOM 0 HB2 ARG A 98 -12.512 -26.264 -17.878 1.00 53.01 H new ATOM 0 HB3 ARG A 98 -11.871 -25.687 -19.404 1.00 53.01 H new ATOM 0 HG2 ARG A 98 -11.379 -28.564 -18.801 1.00 31.24 H new ATOM 0 HG3 ARG A 98 -13.052 -28.115 -19.068 1.00 31.24 H new ATOM 0 HD2 ARG A 98 -12.706 -27.554 -21.282 1.00 75.23 H new ATOM 0 HD3 ARG A 98 -11.062 -27.011 -21.007 1.00 75.23 H new ATOM 0 HE ARG A 98 -11.942 -29.750 -21.628 1.00 32.53 H new ATOM 0 HH11 ARG A 98 -9.373 -27.661 -20.406 1.00 63.31 H new ATOM 0 HH12 ARG A 98 -8.097 -28.832 -20.753 1.00 63.31 H new ATOM 0 HH21 ARG A 98 -10.298 -31.251 -22.069 1.00 31.12 H new ATOM 0 HH22 ARG A 98 -8.618 -30.857 -21.690 1.00 31.12 H new ATOM 1532 N THR A 99 -8.294 -25.681 -19.087 1.00 23.25 N ATOM 1533 CA THR A 99 -7.395 -24.802 -19.823 1.00 45.01 C ATOM 1534 C THR A 99 -7.668 -24.866 -21.321 1.00 53.23 C ATOM 1535 O THR A 99 -7.261 -25.811 -21.997 1.00 11.13 O ATOM 1536 CB THR A 99 -5.920 -25.164 -19.566 1.00 65.14 C ATOM 1537 OG1 THR A 99 -5.721 -25.455 -18.178 1.00 61.04 O ATOM 1538 CG2 THR A 99 -5.002 -24.026 -19.988 1.00 22.43 C ATOM 0 H THR A 99 -7.888 -26.581 -18.831 1.00 23.25 H new ATOM 0 HA THR A 99 -7.581 -23.789 -19.465 1.00 45.01 H new ATOM 0 HB THR A 99 -5.677 -26.045 -20.160 1.00 65.14 H new ATOM 0 HG1 THR A 99 -4.972 -26.079 -18.079 1.00 61.04 H new ATOM 0 HG21 THR A 99 -3.966 -24.305 -19.797 1.00 22.43 H new ATOM 0 HG22 THR A 99 -5.134 -23.827 -21.052 1.00 22.43 H new ATOM 0 HG23 THR A 99 -5.248 -23.130 -19.418 1.00 22.43 H new ATOM 1546 N SER A 100 -8.360 -23.854 -21.835 1.00 51.14 N ATOM 1547 CA SER A 100 -8.691 -23.797 -23.254 1.00 40.14 C ATOM 1548 C SER A 100 -7.891 -22.703 -23.955 1.00 51.03 C ATOM 1549 O SER A 100 -8.222 -21.519 -23.891 1.00 42.21 O ATOM 1550 CB SER A 100 -10.189 -23.548 -23.441 1.00 20.21 C ATOM 1551 OG SER A 100 -10.860 -24.737 -23.822 1.00 43.24 O ATOM 0 H SER A 100 -8.702 -23.063 -21.290 1.00 51.14 H new ATOM 0 HA SER A 100 -8.431 -24.757 -23.701 1.00 40.14 H new ATOM 0 HB2 SER A 100 -10.616 -23.167 -22.513 1.00 20.21 H new ATOM 0 HB3 SER A 100 -10.341 -22.781 -24.201 1.00 20.21 H new ATOM 0 HG SER A 100 -11.816 -24.552 -23.933 1.00 43.24 H new ATOM 1557 N PRO A 101 -6.812 -23.108 -24.641 1.00 50.45 N ATOM 1558 CA PRO A 101 -5.942 -22.178 -25.369 1.00 30.44 C ATOM 1559 C PRO A 101 -6.624 -21.588 -26.598 1.00 43.21 C ATOM 1560 O PRO A 101 -6.833 -22.277 -27.596 1.00 71.33 O ATOM 1561 CB PRO A 101 -4.756 -23.053 -25.783 1.00 73.30 C ATOM 1562 CG PRO A 101 -5.306 -24.437 -25.833 1.00 22.24 C ATOM 1563 CD PRO A 101 -6.358 -24.503 -24.761 1.00 34.52 C ATOM 0 HA PRO A 101 -5.663 -21.318 -24.760 1.00 30.44 H new ATOM 0 HB2 PRO A 101 -4.359 -22.749 -26.752 1.00 73.30 H new ATOM 0 HB3 PRO A 101 -3.939 -22.977 -25.066 1.00 73.30 H new ATOM 0 HG2 PRO A 101 -5.733 -24.652 -26.813 1.00 22.24 H new ATOM 0 HG3 PRO A 101 -4.523 -25.175 -25.657 1.00 22.24 H new ATOM 0 HD2 PRO A 101 -7.175 -25.169 -25.040 1.00 34.52 H new ATOM 0 HD3 PRO A 101 -5.951 -24.875 -23.821 1.00 34.52 H new ATOM 1571 N LYS A 102 -6.968 -20.307 -26.520 1.00 2.21 N ATOM 1572 CA LYS A 102 -7.624 -19.622 -27.627 1.00 15.52 C ATOM 1573 C LYS A 102 -7.267 -18.139 -27.637 1.00 53.44 C ATOM 1574 O LYS A 102 -6.852 -17.584 -26.620 1.00 62.34 O ATOM 1575 CB LYS A 102 -9.142 -19.791 -27.530 1.00 14.32 C ATOM 1576 CG LYS A 102 -9.659 -21.046 -28.212 1.00 13.43 C ATOM 1577 CD LYS A 102 -9.983 -20.792 -29.674 1.00 74.24 C ATOM 1578 CE LYS A 102 -10.542 -22.038 -30.345 1.00 41.34 C ATOM 1579 NZ LYS A 102 -9.553 -23.151 -30.358 1.00 74.34 N ATOM 0 H LYS A 102 -6.803 -19.722 -25.701 1.00 2.21 H new ATOM 0 HA LYS A 102 -7.273 -20.069 -28.557 1.00 15.52 H new ATOM 0 HB2 LYS A 102 -9.430 -19.814 -26.479 1.00 14.32 H new ATOM 0 HB3 LYS A 102 -9.625 -18.921 -27.974 1.00 14.32 H new ATOM 0 HG2 LYS A 102 -8.912 -21.837 -28.136 1.00 13.43 H new ATOM 0 HG3 LYS A 102 -10.552 -21.400 -27.697 1.00 13.43 H new ATOM 0 HD2 LYS A 102 -10.706 -19.980 -29.752 1.00 74.24 H new ATOM 0 HD3 LYS A 102 -9.083 -20.469 -30.197 1.00 74.24 H new ATOM 0 HE2 LYS A 102 -11.443 -22.359 -29.822 1.00 41.34 H new ATOM 0 HE3 LYS A 102 -10.834 -21.800 -31.368 1.00 41.34 H new ATOM 0 HZ1 LYS A 102 -9.894 -23.911 -30.980 1.00 74.34 H new ATOM 0 HZ2 LYS A 102 -8.640 -22.800 -30.710 1.00 74.34 H new ATOM 0 HZ3 LYS A 102 -9.433 -23.520 -29.393 1.00 74.34 H new ATOM 1593 N GLU A 103 -7.433 -17.503 -28.793 1.00 14.31 N ATOM 1594 CA GLU A 103 -7.129 -16.084 -28.934 1.00 2.43 C ATOM 1595 C GLU A 103 -8.289 -15.341 -29.590 1.00 1.40 C ATOM 1596 O GLU A 103 -8.647 -15.615 -30.735 1.00 50.04 O ATOM 1597 CB GLU A 103 -5.854 -15.892 -29.759 1.00 34.33 C ATOM 1598 CG GLU A 103 -5.857 -16.661 -31.069 1.00 64.14 C ATOM 1599 CD GLU A 103 -4.673 -16.314 -31.952 1.00 12.45 C ATOM 1600 OE1 GLU A 103 -4.656 -15.196 -32.509 1.00 25.34 O ATOM 1601 OE2 GLU A 103 -3.764 -17.160 -32.084 1.00 54.02 O ATOM 0 H GLU A 103 -7.776 -17.948 -29.644 1.00 14.31 H new ATOM 0 HA GLU A 103 -6.974 -15.672 -27.937 1.00 2.43 H new ATOM 0 HB2 GLU A 103 -5.724 -14.831 -29.970 1.00 34.33 H new ATOM 0 HB3 GLU A 103 -4.996 -16.206 -29.165 1.00 34.33 H new ATOM 0 HG2 GLU A 103 -5.847 -17.730 -30.858 1.00 64.14 H new ATOM 0 HG3 GLU A 103 -6.781 -16.451 -31.607 1.00 64.14 H new ATOM 1608 N ARG A 104 -8.872 -14.399 -28.855 1.00 71.22 N ATOM 1609 CA ARG A 104 -9.993 -13.618 -29.364 1.00 44.42 C ATOM 1610 C ARG A 104 -10.134 -12.306 -28.597 1.00 64.10 C ATOM 1611 O ARG A 104 -9.507 -12.114 -27.554 1.00 73.22 O ATOM 1612 CB ARG A 104 -11.290 -14.422 -29.264 1.00 13.52 C ATOM 1613 CG ARG A 104 -12.077 -14.473 -30.563 1.00 51.42 C ATOM 1614 CD ARG A 104 -11.819 -15.766 -31.320 1.00 73.10 C ATOM 1615 NE ARG A 104 -12.875 -16.751 -31.097 1.00 2.50 N ATOM 1616 CZ ARG A 104 -12.914 -17.935 -31.697 1.00 24.13 C ATOM 1617 NH1 ARG A 104 -11.961 -18.281 -32.551 1.00 44.22 N ATOM 1618 NH2 ARG A 104 -13.907 -18.777 -31.442 1.00 11.02 N ATOM 0 H ARG A 104 -8.587 -14.158 -27.906 1.00 71.22 H new ATOM 0 HA ARG A 104 -9.797 -13.388 -30.411 1.00 44.42 H new ATOM 0 HB2 ARG A 104 -11.054 -15.439 -28.952 1.00 13.52 H new ATOM 0 HB3 ARG A 104 -11.918 -13.988 -28.486 1.00 13.52 H new ATOM 0 HG2 ARG A 104 -13.142 -14.382 -30.348 1.00 51.42 H new ATOM 0 HG3 ARG A 104 -11.804 -13.623 -31.189 1.00 51.42 H new ATOM 0 HD2 ARG A 104 -11.742 -15.553 -32.386 1.00 73.10 H new ATOM 0 HD3 ARG A 104 -10.862 -16.184 -31.008 1.00 73.10 H new ATOM 0 HE ARG A 104 -13.623 -16.516 -30.445 1.00 2.50 H new ATOM 0 HH11 ARG A 104 -11.195 -17.637 -32.749 1.00 44.22 H new ATOM 0 HH12 ARG A 104 -11.994 -19.191 -33.010 1.00 44.22 H new ATOM 0 HH21 ARG A 104 -14.642 -18.515 -30.785 1.00 11.02 H new ATOM 0 HH22 ARG A 104 -13.936 -19.686 -31.903 1.00 11.02 H new ATOM 1632 N HIS A 105 -10.960 -11.406 -29.121 1.00 3.12 N ATOM 1633 CA HIS A 105 -11.183 -10.112 -28.485 1.00 61.13 C ATOM 1634 C HIS A 105 -11.559 -10.286 -27.017 1.00 3.32 C ATOM 1635 O HIS A 105 -11.716 -11.408 -26.535 1.00 53.02 O ATOM 1636 CB HIS A 105 -12.283 -9.343 -29.218 1.00 31.51 C ATOM 1637 CG HIS A 105 -12.163 -9.402 -30.710 1.00 1.13 C ATOM 1638 ND1 HIS A 105 -11.726 -8.339 -31.472 1.00 11.13 N ATOM 1639 CD2 HIS A 105 -12.424 -10.405 -31.580 1.00 42.13 C ATOM 1640 CE1 HIS A 105 -11.725 -8.685 -32.747 1.00 12.14 C ATOM 1641 NE2 HIS A 105 -12.144 -9.934 -32.840 1.00 30.24 N ATOM 0 H HIS A 105 -11.486 -11.549 -29.983 1.00 3.12 H new ATOM 0 HA HIS A 105 -10.255 -9.543 -28.539 1.00 61.13 H new ATOM 0 HB2 HIS A 105 -13.253 -9.744 -28.924 1.00 31.51 H new ATOM 0 HB3 HIS A 105 -12.259 -8.300 -28.901 1.00 31.51 H new ATOM 0 HD2 HIS A 105 -12.785 -11.392 -31.330 1.00 42.13 H new ATOM 0 HE1 HIS A 105 -11.431 -8.054 -33.573 1.00 12.14 H new ATOM 0 HE2 HIS A 105 -12.244 -10.463 -33.706 1.00 30.24 H new ATOM 1649 N ILE A 106 -11.700 -9.169 -26.311 1.00 44.32 N ATOM 1650 CA ILE A 106 -12.057 -9.198 -24.898 1.00 61.24 C ATOM 1651 C ILE A 106 -12.720 -7.893 -24.472 1.00 5.25 C ATOM 1652 O ILE A 106 -12.605 -6.875 -25.155 1.00 1.45 O ATOM 1653 CB ILE A 106 -10.823 -9.449 -24.011 1.00 14.11 C ATOM 1654 CG1 ILE A 106 -9.543 -9.080 -24.763 1.00 52.22 C ATOM 1655 CG2 ILE A 106 -10.780 -10.902 -23.562 1.00 53.02 C ATOM 1656 CD1 ILE A 106 -8.457 -8.521 -23.870 1.00 74.43 C ATOM 0 H ILE A 106 -11.572 -8.233 -26.695 1.00 44.32 H new ATOM 0 HA ILE A 106 -12.761 -10.020 -24.767 1.00 61.24 H new ATOM 0 HB ILE A 106 -10.896 -8.817 -23.126 1.00 14.11 H new ATOM 0 HG12 ILE A 106 -9.163 -9.965 -25.273 1.00 52.22 H new ATOM 0 HG13 ILE A 106 -9.782 -8.347 -25.533 1.00 52.22 H new ATOM 0 HG21 ILE A 106 -9.902 -11.064 -22.936 1.00 53.02 H new ATOM 0 HG22 ILE A 106 -11.680 -11.133 -22.992 1.00 53.02 H new ATOM 0 HG23 ILE A 106 -10.727 -11.551 -24.436 1.00 53.02 H new ATOM 0 HD11 ILE A 106 -7.579 -8.282 -24.471 1.00 74.43 H new ATOM 0 HD12 ILE A 106 -8.819 -7.617 -23.380 1.00 74.43 H new ATOM 0 HD13 ILE A 106 -8.190 -9.261 -23.116 1.00 74.43 H new ATOM 1668 N ILE A 107 -13.411 -7.930 -23.338 1.00 1.15 N ATOM 1669 CA ILE A 107 -14.089 -6.749 -22.818 1.00 12.10 C ATOM 1670 C ILE A 107 -13.768 -6.535 -21.343 1.00 33.13 C ATOM 1671 O ILE A 107 -14.079 -7.377 -20.500 1.00 60.32 O ATOM 1672 CB ILE A 107 -15.616 -6.856 -22.989 1.00 50.45 C ATOM 1673 CG1 ILE A 107 -15.955 -7.628 -24.266 1.00 31.43 C ATOM 1674 CG2 ILE A 107 -16.244 -5.470 -23.020 1.00 64.12 C ATOM 1675 CD1 ILE A 107 -16.571 -8.985 -24.005 1.00 22.30 C ATOM 0 H ILE A 107 -13.516 -8.765 -22.762 1.00 1.15 H new ATOM 0 HA ILE A 107 -13.725 -5.898 -23.393 1.00 12.10 H new ATOM 0 HB ILE A 107 -16.025 -7.400 -22.138 1.00 50.45 H new ATOM 0 HG12 ILE A 107 -16.644 -7.035 -24.868 1.00 31.43 H new ATOM 0 HG13 ILE A 107 -15.047 -7.757 -24.855 1.00 31.43 H new ATOM 0 HG21 ILE A 107 -17.323 -5.562 -23.141 1.00 64.12 H new ATOM 0 HG22 ILE A 107 -16.027 -4.951 -22.086 1.00 64.12 H new ATOM 0 HG23 ILE A 107 -15.832 -4.903 -23.855 1.00 64.12 H new ATOM 0 HD11 ILE A 107 -16.785 -9.476 -24.954 1.00 22.30 H new ATOM 0 HD12 ILE A 107 -15.875 -9.596 -23.430 1.00 22.30 H new ATOM 0 HD13 ILE A 107 -17.497 -8.862 -23.443 1.00 22.30 H new ATOM 1687 N VAL A 108 -13.146 -5.401 -21.036 1.00 63.33 N ATOM 1688 CA VAL A 108 -12.785 -5.074 -19.662 1.00 21.40 C ATOM 1689 C VAL A 108 -13.302 -3.694 -19.272 1.00 24.33 C ATOM 1690 O VAL A 108 -13.679 -2.896 -20.129 1.00 72.30 O ATOM 1691 CB VAL A 108 -11.259 -5.116 -19.457 1.00 61.02 C ATOM 1692 CG1 VAL A 108 -10.825 -6.483 -18.952 1.00 21.51 C ATOM 1693 CG2 VAL A 108 -10.539 -4.763 -20.750 1.00 5.23 C ATOM 0 H VAL A 108 -12.882 -4.693 -21.721 1.00 63.33 H new ATOM 0 HA VAL A 108 -13.250 -5.826 -19.025 1.00 21.40 H new ATOM 0 HB VAL A 108 -10.990 -4.375 -18.704 1.00 61.02 H new ATOM 0 HG11 VAL A 108 -9.744 -6.493 -18.813 1.00 21.51 H new ATOM 0 HG12 VAL A 108 -11.315 -6.692 -18.001 1.00 21.51 H new ATOM 0 HG13 VAL A 108 -11.105 -7.245 -19.679 1.00 21.51 H new ATOM 0 HG21 VAL A 108 -9.462 -4.797 -20.588 1.00 5.23 H new ATOM 0 HG22 VAL A 108 -10.812 -5.479 -21.526 1.00 5.23 H new ATOM 0 HG23 VAL A 108 -10.827 -3.760 -21.064 1.00 5.23 H new ATOM 1703 N ALA A 109 -13.315 -3.419 -17.971 1.00 61.45 N ATOM 1704 CA ALA A 109 -13.783 -2.134 -17.467 1.00 60.50 C ATOM 1705 C ALA A 109 -12.634 -1.327 -16.871 1.00 75.25 C ATOM 1706 O ALA A 109 -12.198 -1.584 -15.749 1.00 61.21 O ATOM 1707 CB ALA A 109 -14.878 -2.341 -16.431 1.00 71.32 C ATOM 0 H ALA A 109 -13.007 -4.069 -17.248 1.00 61.45 H new ATOM 0 HA ALA A 109 -14.193 -1.570 -18.305 1.00 60.50 H new ATOM 0 HB1 ALA A 109 -15.218 -1.373 -16.063 1.00 71.32 H new ATOM 0 HB2 ALA A 109 -15.715 -2.871 -16.887 1.00 71.32 H new ATOM 0 HB3 ALA A 109 -14.486 -2.928 -15.600 1.00 71.32 H new ATOM 1713 N CYS A 110 -12.148 -0.350 -17.630 1.00 33.50 N ATOM 1714 CA CYS A 110 -11.049 0.494 -17.178 1.00 55.42 C ATOM 1715 C CYS A 110 -11.574 1.711 -16.421 1.00 34.22 C ATOM 1716 O CYS A 110 -12.634 2.245 -16.745 1.00 13.44 O ATOM 1717 CB CYS A 110 -10.204 0.948 -18.370 1.00 21.21 C ATOM 1718 SG CYS A 110 -10.186 -0.230 -19.760 1.00 3.24 S ATOM 0 H CYS A 110 -12.498 -0.124 -18.561 1.00 33.50 H new ATOM 0 HA CYS A 110 -10.427 -0.093 -16.502 1.00 55.42 H new ATOM 0 HB2 CYS A 110 -10.581 1.907 -18.725 1.00 21.21 H new ATOM 0 HB3 CYS A 110 -9.180 1.113 -18.034 1.00 21.21 H new ATOM 1723 N GLU A 111 -10.824 2.142 -15.411 1.00 72.44 N ATOM 1724 CA GLU A 111 -11.215 3.294 -14.608 1.00 44.21 C ATOM 1725 C GLU A 111 -10.042 3.795 -13.769 1.00 35.42 C ATOM 1726 O GLU A 111 -8.956 3.219 -13.795 1.00 64.21 O ATOM 1727 CB GLU A 111 -12.391 2.935 -13.698 1.00 60.30 C ATOM 1728 CG GLU A 111 -13.629 3.782 -13.940 1.00 3.21 C ATOM 1729 CD GLU A 111 -13.444 5.223 -13.504 1.00 23.20 C ATOM 1730 OE1 GLU A 111 -13.369 5.467 -12.281 1.00 52.14 O ATOM 1731 OE2 GLU A 111 -13.374 6.105 -14.384 1.00 43.44 O ATOM 0 H GLU A 111 -9.943 1.711 -15.130 1.00 72.44 H new ATOM 0 HA GLU A 111 -11.521 4.090 -15.286 1.00 44.21 H new ATOM 0 HB2 GLU A 111 -12.645 1.885 -13.844 1.00 60.30 H new ATOM 0 HB3 GLU A 111 -12.082 3.047 -12.659 1.00 60.30 H new ATOM 0 HG2 GLU A 111 -13.881 3.757 -15.000 1.00 3.21 H new ATOM 0 HG3 GLU A 111 -14.472 3.349 -13.402 1.00 3.21 H new ATOM 1738 N GLY A 112 -10.272 4.872 -13.024 1.00 54.14 N ATOM 1739 CA GLY A 112 -9.227 5.433 -12.188 1.00 71.04 C ATOM 1740 C GLY A 112 -8.284 6.331 -12.964 1.00 1.12 C ATOM 1741 O GLY A 112 -8.700 7.029 -13.889 1.00 30.24 O ATOM 0 H GLY A 112 -11.164 5.366 -12.985 1.00 54.14 H new ATOM 0 HA2 GLY A 112 -9.681 6.002 -11.377 1.00 71.04 H new ATOM 0 HA3 GLY A 112 -8.659 4.624 -11.730 1.00 71.04 H new ATOM 1745 N SER A 113 -7.010 6.316 -12.586 1.00 23.44 N ATOM 1746 CA SER A 113 -6.005 7.139 -13.249 1.00 15.23 C ATOM 1747 C SER A 113 -4.606 6.572 -13.029 1.00 13.03 C ATOM 1748 O SER A 113 -4.161 6.371 -11.899 1.00 4.33 O ATOM 1749 CB SER A 113 -6.072 8.577 -12.731 1.00 52.44 C ATOM 1750 OG SER A 113 -5.012 9.358 -13.255 1.00 64.43 O ATOM 0 H SER A 113 -6.649 5.743 -11.824 1.00 23.44 H new ATOM 0 HA SER A 113 -6.215 7.135 -14.319 1.00 15.23 H new ATOM 0 HB2 SER A 113 -7.027 9.022 -13.008 1.00 52.44 H new ATOM 0 HB3 SER A 113 -6.024 8.577 -11.642 1.00 52.44 H new ATOM 0 HG SER A 113 -5.078 10.273 -12.910 1.00 64.43 H new ATOM 1756 N PRO A 114 -3.896 6.307 -14.135 1.00 24.11 N ATOM 1757 CA PRO A 114 -4.416 6.541 -15.485 1.00 40.22 C ATOM 1758 C PRO A 114 -5.534 5.571 -15.852 1.00 65.22 C ATOM 1759 O PRO A 114 -5.925 4.726 -15.046 1.00 52.43 O ATOM 1760 CB PRO A 114 -3.195 6.314 -16.380 1.00 71.01 C ATOM 1761 CG PRO A 114 -2.317 5.400 -15.598 1.00 23.03 C ATOM 1762 CD PRO A 114 -2.530 5.757 -14.153 1.00 5.43 C ATOM 0 HA PRO A 114 -4.857 7.533 -15.586 1.00 40.22 H new ATOM 0 HB2 PRO A 114 -3.480 5.869 -17.333 1.00 71.01 H new ATOM 0 HB3 PRO A 114 -2.689 7.253 -16.605 1.00 71.01 H new ATOM 0 HG2 PRO A 114 -2.574 4.357 -15.784 1.00 23.03 H new ATOM 0 HG3 PRO A 114 -1.272 5.526 -15.881 1.00 23.03 H new ATOM 0 HD2 PRO A 114 -2.440 4.884 -13.506 1.00 5.43 H new ATOM 0 HD3 PRO A 114 -1.798 6.487 -13.807 1.00 5.43 H new ATOM 1770 N TYR A 115 -6.043 5.697 -17.073 1.00 25.44 N ATOM 1771 CA TYR A 115 -7.117 4.832 -17.546 1.00 22.55 C ATOM 1772 C TYR A 115 -6.596 3.428 -17.840 1.00 54.03 C ATOM 1773 O TYR A 115 -5.938 3.198 -18.854 1.00 65.44 O ATOM 1774 CB TYR A 115 -7.761 5.423 -18.801 1.00 21.34 C ATOM 1775 CG TYR A 115 -9.265 5.551 -18.706 1.00 45.34 C ATOM 1776 CD1 TYR A 115 -9.876 5.919 -17.514 1.00 54.23 C ATOM 1777 CD2 TYR A 115 -10.073 5.304 -19.809 1.00 13.03 C ATOM 1778 CE1 TYR A 115 -11.250 6.037 -17.423 1.00 41.21 C ATOM 1779 CE2 TYR A 115 -11.447 5.421 -19.727 1.00 53.11 C ATOM 1780 CZ TYR A 115 -12.031 5.788 -18.532 1.00 62.33 C ATOM 1781 OH TYR A 115 -13.399 5.904 -18.447 1.00 33.04 O ATOM 0 H TYR A 115 -5.729 6.390 -17.753 1.00 25.44 H new ATOM 0 HA TYR A 115 -7.868 4.764 -16.759 1.00 22.55 H new ATOM 0 HB2 TYR A 115 -7.332 6.407 -18.990 1.00 21.34 H new ATOM 0 HB3 TYR A 115 -7.511 4.796 -19.657 1.00 21.34 H new ATOM 0 HD1 TYR A 115 -9.267 6.116 -16.644 1.00 54.23 H new ATOM 0 HD2 TYR A 115 -9.619 5.016 -20.746 1.00 13.03 H new ATOM 0 HE1 TYR A 115 -11.710 6.323 -16.488 1.00 41.21 H new ATOM 0 HE2 TYR A 115 -12.061 5.226 -20.594 1.00 53.11 H new ATOM 0 HH TYR A 115 -13.820 5.259 -19.052 1.00 33.04 H new ATOM 1791 N VAL A 116 -6.898 2.492 -16.946 1.00 1.23 N ATOM 1792 CA VAL A 116 -6.463 1.110 -17.109 1.00 1.11 C ATOM 1793 C VAL A 116 -7.548 0.136 -16.664 1.00 52.31 C ATOM 1794 O VAL A 116 -8.400 0.454 -15.834 1.00 51.20 O ATOM 1795 CB VAL A 116 -5.177 0.828 -16.310 1.00 3.43 C ATOM 1796 CG1 VAL A 116 -4.204 1.991 -16.436 1.00 61.12 C ATOM 1797 CG2 VAL A 116 -5.506 0.555 -14.850 1.00 72.40 C ATOM 0 H VAL A 116 -7.442 2.666 -16.101 1.00 1.23 H new ATOM 0 HA VAL A 116 -6.262 0.965 -18.170 1.00 1.11 H new ATOM 0 HB VAL A 116 -4.701 -0.061 -16.724 1.00 3.43 H new ATOM 0 HG11 VAL A 116 -3.301 1.774 -15.865 1.00 61.12 H new ATOM 0 HG12 VAL A 116 -3.944 2.136 -17.485 1.00 61.12 H new ATOM 0 HG13 VAL A 116 -4.669 2.898 -16.049 1.00 61.12 H new ATOM 0 HG21 VAL A 116 -4.586 0.358 -14.300 1.00 72.40 H new ATOM 0 HG22 VAL A 116 -6.006 1.424 -14.421 1.00 72.40 H new ATOM 0 HG23 VAL A 116 -6.163 -0.312 -14.781 1.00 72.40 H new ATOM 1807 N PRO A 117 -7.519 -1.080 -17.228 1.00 24.42 N ATOM 1808 CA PRO A 117 -8.493 -2.127 -16.904 1.00 5.03 C ATOM 1809 C PRO A 117 -8.311 -2.670 -15.490 1.00 53.13 C ATOM 1810 O PRO A 117 -7.275 -3.250 -15.165 1.00 52.04 O ATOM 1811 CB PRO A 117 -8.199 -3.217 -17.937 1.00 63.31 C ATOM 1812 CG PRO A 117 -6.771 -3.010 -18.311 1.00 35.32 C ATOM 1813 CD PRO A 117 -6.532 -1.528 -18.225 1.00 23.43 C ATOM 0 HA PRO A 117 -9.517 -1.755 -16.936 1.00 5.03 H new ATOM 0 HB2 PRO A 117 -8.359 -4.211 -17.520 1.00 63.31 H new ATOM 0 HB3 PRO A 117 -8.853 -3.127 -18.805 1.00 63.31 H new ATOM 0 HG2 PRO A 117 -6.108 -3.552 -17.636 1.00 35.32 H new ATOM 0 HG3 PRO A 117 -6.573 -3.380 -19.317 1.00 35.32 H new ATOM 0 HD2 PRO A 117 -5.513 -1.303 -17.911 1.00 23.43 H new ATOM 0 HD3 PRO A 117 -6.684 -1.040 -19.188 1.00 23.43 H new ATOM 1821 N VAL A 118 -9.326 -2.478 -14.653 1.00 61.30 N ATOM 1822 CA VAL A 118 -9.279 -2.950 -13.274 1.00 61.44 C ATOM 1823 C VAL A 118 -10.345 -4.010 -13.020 1.00 14.33 C ATOM 1824 O VAL A 118 -10.589 -4.399 -11.877 1.00 62.00 O ATOM 1825 CB VAL A 118 -9.473 -1.792 -12.278 1.00 20.34 C ATOM 1826 CG1 VAL A 118 -8.496 -0.664 -12.572 1.00 61.55 C ATOM 1827 CG2 VAL A 118 -10.908 -1.290 -12.318 1.00 52.33 C ATOM 0 H VAL A 118 -10.190 -1.999 -14.906 1.00 61.30 H new ATOM 0 HA VAL A 118 -8.292 -3.388 -13.122 1.00 61.44 H new ATOM 0 HB VAL A 118 -9.270 -2.163 -11.273 1.00 20.34 H new ATOM 0 HG11 VAL A 118 -8.649 0.145 -11.858 1.00 61.55 H new ATOM 0 HG12 VAL A 118 -7.475 -1.036 -12.487 1.00 61.55 H new ATOM 0 HG13 VAL A 118 -8.663 -0.292 -13.583 1.00 61.55 H new ATOM 0 HG21 VAL A 118 -11.027 -0.472 -11.608 1.00 52.33 H new ATOM 0 HG22 VAL A 118 -11.142 -0.936 -13.322 1.00 52.33 H new ATOM 0 HG23 VAL A 118 -11.585 -2.102 -12.053 1.00 52.33 H new ATOM 1837 N HIS A 119 -10.979 -4.473 -14.092 1.00 71.42 N ATOM 1838 CA HIS A 119 -12.020 -5.490 -13.985 1.00 41.33 C ATOM 1839 C HIS A 119 -12.198 -6.226 -15.310 1.00 34.04 C ATOM 1840 O HIS A 119 -12.232 -5.609 -16.375 1.00 31.42 O ATOM 1841 CB HIS A 119 -13.343 -4.852 -13.561 1.00 31.14 C ATOM 1842 CG HIS A 119 -14.541 -5.464 -14.219 1.00 53.30 C ATOM 1843 ND1 HIS A 119 -15.531 -6.121 -13.519 1.00 61.23 N ATOM 1844 CD2 HIS A 119 -14.907 -5.513 -15.521 1.00 60.33 C ATOM 1845 CE1 HIS A 119 -16.453 -6.550 -14.363 1.00 24.42 C ATOM 1846 NE2 HIS A 119 -16.098 -6.194 -15.584 1.00 41.12 N ATOM 0 H HIS A 119 -10.791 -4.161 -15.045 1.00 71.42 H new ATOM 0 HA HIS A 119 -11.713 -6.211 -13.227 1.00 41.33 H new ATOM 0 HB2 HIS A 119 -13.449 -4.939 -12.480 1.00 31.14 H new ATOM 0 HB3 HIS A 119 -13.315 -3.788 -13.794 1.00 31.14 H new ATOM 0 HD2 HIS A 119 -14.364 -5.094 -16.355 1.00 60.33 H new ATOM 0 HE1 HIS A 119 -17.345 -7.098 -14.099 1.00 24.42 H new ATOM 0 HE2 HIS A 119 -16.623 -6.393 -16.436 1.00 41.12 H new ATOM 1854 N PHE A 120 -12.311 -7.548 -15.236 1.00 34.05 N ATOM 1855 CA PHE A 120 -12.484 -8.369 -16.429 1.00 15.45 C ATOM 1856 C PHE A 120 -13.893 -8.953 -16.487 1.00 41.32 C ATOM 1857 O PHE A 120 -14.396 -9.489 -15.499 1.00 40.55 O ATOM 1858 CB PHE A 120 -11.451 -9.497 -16.452 1.00 1.42 C ATOM 1859 CG PHE A 120 -10.970 -9.841 -17.833 1.00 14.14 C ATOM 1860 CD1 PHE A 120 -11.806 -10.484 -18.731 1.00 34.51 C ATOM 1861 CD2 PHE A 120 -9.683 -9.521 -18.232 1.00 51.44 C ATOM 1862 CE1 PHE A 120 -11.366 -10.803 -20.002 1.00 33.13 C ATOM 1863 CE2 PHE A 120 -9.238 -9.836 -19.502 1.00 64.42 C ATOM 1864 CZ PHE A 120 -10.081 -10.478 -20.388 1.00 42.43 C ATOM 0 H PHE A 120 -12.286 -8.074 -14.362 1.00 34.05 H new ATOM 0 HA PHE A 120 -12.337 -7.733 -17.302 1.00 15.45 H new ATOM 0 HB2 PHE A 120 -10.597 -9.209 -15.840 1.00 1.42 H new ATOM 0 HB3 PHE A 120 -11.885 -10.386 -15.995 1.00 1.42 H new ATOM 0 HD1 PHE A 120 -12.813 -10.739 -18.435 1.00 34.51 H new ATOM 0 HD2 PHE A 120 -9.020 -9.020 -17.543 1.00 51.44 H new ATOM 0 HE1 PHE A 120 -12.027 -11.306 -20.692 1.00 33.13 H new ATOM 0 HE2 PHE A 120 -8.232 -9.580 -19.801 1.00 64.42 H new ATOM 0 HZ PHE A 120 -9.736 -10.725 -21.381 1.00 42.43 H new ATOM 1874 N ASP A 121 -14.524 -8.845 -17.651 1.00 44.43 N ATOM 1875 CA ASP A 121 -15.874 -9.362 -17.840 1.00 42.14 C ATOM 1876 C ASP A 121 -15.842 -10.735 -18.503 1.00 64.44 C ATOM 1877 O ASP A 121 -16.122 -11.750 -17.866 1.00 14.11 O ATOM 1878 CB ASP A 121 -16.700 -8.393 -18.687 1.00 15.42 C ATOM 1879 CG ASP A 121 -18.137 -8.290 -18.213 1.00 2.03 C ATOM 1880 OD1 ASP A 121 -18.638 -9.270 -17.623 1.00 71.04 O ATOM 1881 OD2 ASP A 121 -18.760 -7.230 -18.432 1.00 0.24 O ATOM 0 H ASP A 121 -14.122 -8.404 -18.478 1.00 44.43 H new ATOM 0 HA ASP A 121 -16.339 -9.462 -16.859 1.00 42.14 H new ATOM 0 HB2 ASP A 121 -16.239 -7.406 -18.658 1.00 15.42 H new ATOM 0 HB3 ASP A 121 -16.686 -8.721 -19.726 1.00 15.42 H new ATOM 1886 N ALA A 122 -15.498 -10.759 -19.787 1.00 74.31 N ATOM 1887 CA ALA A 122 -15.429 -12.008 -20.536 1.00 44.10 C ATOM 1888 C ALA A 122 -14.785 -11.793 -21.902 1.00 32.51 C ATOM 1889 O ALA A 122 -14.746 -10.674 -22.411 1.00 42.52 O ATOM 1890 CB ALA A 122 -16.818 -12.607 -20.693 1.00 72.43 C ATOM 0 H ALA A 122 -15.263 -9.928 -20.330 1.00 74.31 H new ATOM 0 HA ALA A 122 -14.807 -12.706 -19.976 1.00 44.10 H new ATOM 0 HB1 ALA A 122 -16.751 -13.539 -21.254 1.00 72.43 H new ATOM 0 HB2 ALA A 122 -17.242 -12.806 -19.709 1.00 72.43 H new ATOM 0 HB3 ALA A 122 -17.458 -11.906 -21.229 1.00 72.43 H new ATOM 1896 N SER A 123 -14.281 -12.874 -22.490 1.00 13.13 N ATOM 1897 CA SER A 123 -13.635 -12.803 -23.795 1.00 12.20 C ATOM 1898 C SER A 123 -14.651 -13.005 -24.916 1.00 2.35 C ATOM 1899 O SER A 123 -15.432 -13.956 -24.897 1.00 52.10 O ATOM 1900 CB SER A 123 -12.529 -13.855 -23.898 1.00 52.21 C ATOM 1901 OG SER A 123 -13.012 -15.139 -23.543 1.00 40.10 O ATOM 0 H SER A 123 -14.308 -13.809 -22.083 1.00 13.13 H new ATOM 0 HA SER A 123 -13.195 -11.812 -23.902 1.00 12.20 H new ATOM 0 HB2 SER A 123 -12.139 -13.878 -24.915 1.00 52.21 H new ATOM 0 HB3 SER A 123 -11.700 -13.581 -23.245 1.00 52.21 H new ATOM 0 HG SER A 123 -12.287 -15.794 -23.619 1.00 40.10 H new ATOM 1907 N VAL A 124 -14.633 -12.102 -25.891 1.00 73.12 N ATOM 1908 CA VAL A 124 -15.551 -12.180 -27.021 1.00 71.24 C ATOM 1909 C VAL A 124 -15.230 -13.377 -27.909 1.00 25.42 C ATOM 1910 O VAL A 124 -14.280 -14.116 -27.651 1.00 4.33 O ATOM 1911 CB VAL A 124 -15.504 -10.897 -27.872 1.00 71.13 C ATOM 1912 CG1 VAL A 124 -16.839 -10.665 -28.563 1.00 14.24 C ATOM 1913 CG2 VAL A 124 -15.124 -9.701 -27.012 1.00 31.50 C ATOM 0 H VAL A 124 -13.993 -11.308 -25.921 1.00 73.12 H new ATOM 0 HA VAL A 124 -16.553 -12.297 -26.607 1.00 71.24 H new ATOM 0 HB VAL A 124 -14.741 -11.020 -28.641 1.00 71.13 H new ATOM 0 HG11 VAL A 124 -16.787 -9.754 -29.159 1.00 14.24 H new ATOM 0 HG12 VAL A 124 -17.065 -11.511 -29.212 1.00 14.24 H new ATOM 0 HG13 VAL A 124 -17.624 -10.563 -27.813 1.00 14.24 H new ATOM 0 HG21 VAL A 124 -15.096 -8.803 -27.629 1.00 31.50 H new ATOM 0 HG22 VAL A 124 -15.862 -9.573 -26.220 1.00 31.50 H new ATOM 0 HG23 VAL A 124 -14.142 -9.868 -26.570 1.00 31.50 H new ATOM 1923 N GLU A 125 -16.028 -13.563 -28.956 1.00 3.34 N ATOM 1924 CA GLU A 125 -15.827 -14.671 -29.881 1.00 75.43 C ATOM 1925 C GLU A 125 -15.526 -14.159 -31.287 1.00 22.03 C ATOM 1926 O GLU A 125 -14.809 -14.803 -32.053 1.00 41.20 O ATOM 1927 CB GLU A 125 -17.065 -15.571 -29.909 1.00 63.33 C ATOM 1928 CG GLU A 125 -16.910 -16.845 -29.095 1.00 2.42 C ATOM 1929 CD GLU A 125 -17.537 -18.049 -29.770 1.00 0.12 C ATOM 1930 OE1 GLU A 125 -18.577 -17.879 -30.440 1.00 64.43 O ATOM 1931 OE2 GLU A 125 -16.987 -19.161 -29.627 1.00 72.33 O ATOM 0 H GLU A 125 -16.819 -12.961 -29.184 1.00 3.34 H new ATOM 0 HA GLU A 125 -14.972 -15.251 -29.533 1.00 75.43 H new ATOM 0 HB2 GLU A 125 -17.920 -15.010 -29.531 1.00 63.33 H new ATOM 0 HB3 GLU A 125 -17.288 -15.835 -30.943 1.00 63.33 H new ATOM 0 HG2 GLU A 125 -15.850 -17.038 -28.928 1.00 2.42 H new ATOM 0 HG3 GLU A 125 -17.367 -16.704 -28.115 1.00 2.42 H new