USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 100 THR OG1 : rot -131:sc= 1.19 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -153:sc= -1.22! (180deg=-0.257) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -0.989 K(o=-2.2,f=-1) USER MOD Single : A 6 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.012) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.301 USER MOD Single : A 32 SER OG : rot -66:sc= 1.19 USER MOD Single : A 37 HIS : no HD1:sc= -8.63 K(o=-8.6,f=-7.9!) USER MOD Single : A 41 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.006) USER MOD Single : A 44 MET CE :methyl 171:sc= -0.0961 (180deg=-0.288) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -127:sc= -3.31 USER MOD Single : A 70 ASN : amide:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.0196 (180deg=-0.171) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -122:sc=-0.00579 (180deg=-0.16) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0583 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.302 K(o=-0.3,f=-7.9!) USER MOD Single : A 96 ASN : amide:sc= -0.874 X(o=-0.87,f=-1.3) USER MOD Single : A 106 ASN : amide:sc= -0.652 K(o=-0.65,f=-1.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 163.336 13.482 8.667 1.00 0.00 N ATOM 2 CA GLN A 6 164.001 12.904 7.470 1.00 0.00 C ATOM 3 C GLN A 6 165.494 12.706 7.712 1.00 0.00 C ATOM 4 O GLN A 6 166.302 13.584 7.412 1.00 0.00 O ATOM 5 CB GLN A 6 163.781 13.850 6.287 1.00 0.00 C ATOM 6 CG GLN A 6 162.477 13.602 5.547 1.00 0.00 C ATOM 7 CD GLN A 6 162.103 14.748 4.627 1.00 0.00 C ATOM 8 OE1 GLN A 6 161.871 14.552 3.434 1.00 0.00 O ATOM 9 NE2 GLN A 6 162.043 15.955 5.179 1.00 0.00 N ATOM 0 HA GLN A 6 163.569 11.926 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 6 163.795 14.879 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 6 164.611 13.745 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 6 162.563 12.685 4.963 1.00 0.00 H new ATOM 0 HG3 GLN A 6 161.677 13.445 6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 6 162.243 16.072 6.172 1.00 0.00 H new ATOM 0 HE22 GLN A 6 161.797 16.765 4.609 1.00 0.00 H new ATOM 18 N TYR A 7 165.853 11.547 8.255 1.00 0.00 N ATOM 19 CA TYR A 7 167.250 11.235 8.536 1.00 0.00 C ATOM 20 C TYR A 7 168.078 11.263 7.261 1.00 0.00 C ATOM 21 O TYR A 7 167.545 11.406 6.160 1.00 0.00 O ATOM 22 CB TYR A 7 167.363 9.865 9.208 1.00 0.00 C ATOM 23 CG TYR A 7 168.756 9.501 9.671 1.00 0.00 C ATOM 24 CD1 TYR A 7 169.413 10.264 10.627 1.00 0.00 C ATOM 25 CD2 TYR A 7 169.413 8.391 9.153 1.00 0.00 C ATOM 26 CE1 TYR A 7 170.684 9.931 11.057 1.00 0.00 C ATOM 27 CE2 TYR A 7 170.684 8.051 9.577 1.00 0.00 C ATOM 28 CZ TYR A 7 171.314 8.825 10.528 1.00 0.00 C ATOM 29 OH TYR A 7 172.580 8.490 10.953 1.00 0.00 O ATOM 0 H TYR A 7 165.196 10.809 8.509 1.00 0.00 H new ATOM 0 HA TYR A 7 167.639 11.995 9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 7 166.691 9.840 10.066 1.00 0.00 H new ATOM 0 HB3 TYR A 7 167.016 9.103 8.510 1.00 0.00 H new ATOM 0 HD1 TYR A 7 168.923 11.132 11.042 1.00 0.00 H new ATOM 0 HD2 TYR A 7 168.922 7.784 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 7 171.180 10.534 11.803 1.00 0.00 H new ATOM 0 HE2 TYR A 7 171.180 7.184 9.166 1.00 0.00 H new ATOM 0 HH TYR A 7 172.880 7.684 10.483 1.00 0.00 H new ATOM 39 N VAL A 8 169.382 11.131 7.423 1.00 0.00 N ATOM 40 CA VAL A 8 170.302 11.145 6.293 1.00 0.00 C ATOM 41 C VAL A 8 171.040 9.817 6.160 1.00 0.00 C ATOM 42 O VAL A 8 171.128 9.044 7.113 1.00 0.00 O ATOM 43 CB VAL A 8 171.335 12.277 6.430 1.00 0.00 C ATOM 44 CG1 VAL A 8 172.135 12.431 5.146 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.650 13.586 6.800 1.00 0.00 C ATOM 0 H VAL A 8 169.833 11.012 8.330 1.00 0.00 H new ATOM 0 HA VAL A 8 169.700 11.311 5.400 1.00 0.00 H new ATOM 0 HB VAL A 8 172.026 12.016 7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.860 13.236 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.659 11.500 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.460 12.667 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 8 171.397 14.374 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.934 13.854 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 8 170.128 13.468 7.750 1.00 0.00 H new ATOM 55 N VAL A 9 171.572 9.561 4.970 1.00 0.00 N ATOM 56 CA VAL A 9 172.305 8.330 4.707 1.00 0.00 C ATOM 57 C VAL A 9 173.648 8.322 5.442 1.00 0.00 C ATOM 58 O VAL A 9 174.346 9.335 5.480 1.00 0.00 O ATOM 59 CB VAL A 9 172.551 8.145 3.195 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.341 9.320 2.635 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.263 6.827 2.920 1.00 0.00 C ATOM 0 H VAL A 9 171.509 10.192 4.171 1.00 0.00 H new ATOM 0 HA VAL A 9 171.694 7.505 5.073 1.00 0.00 H new ATOM 0 HB VAL A 9 171.585 8.114 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.505 9.172 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.782 10.242 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.302 9.388 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.426 6.718 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.223 6.818 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.650 6.000 3.280 1.00 0.00 H new ATOM 71 N PRO A 10 174.027 7.176 6.040 1.00 0.00 N ATOM 72 CA PRO A 10 175.292 7.052 6.773 1.00 0.00 C ATOM 73 C PRO A 10 176.508 7.237 5.875 1.00 0.00 C ATOM 74 O PRO A 10 176.381 7.564 4.695 1.00 0.00 O ATOM 75 CB PRO A 10 175.260 5.625 7.328 1.00 0.00 C ATOM 76 CG PRO A 10 174.271 4.898 6.486 1.00 0.00 C ATOM 77 CD PRO A 10 173.259 5.919 6.049 1.00 0.00 C ATOM 0 HA PRO A 10 175.381 7.820 7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 10 176.244 5.159 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 10 174.964 5.618 8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.756 4.438 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.795 4.096 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 10 172.854 5.688 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.415 5.968 6.737 1.00 0.00 H new ATOM 85 N SER A 11 177.688 7.030 6.449 1.00 0.00 N ATOM 86 CA SER A 11 178.933 7.179 5.712 1.00 0.00 C ATOM 87 C SER A 11 179.609 5.833 5.477 1.00 0.00 C ATOM 88 O SER A 11 180.013 5.156 6.422 1.00 0.00 O ATOM 89 CB SER A 11 179.875 8.108 6.474 1.00 0.00 C ATOM 90 OG SER A 11 180.897 8.610 5.628 1.00 0.00 O ATOM 0 H SER A 11 177.806 6.758 7.425 1.00 0.00 H new ATOM 0 HA SER A 11 178.699 7.610 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.308 8.938 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.323 7.570 7.310 1.00 0.00 H new ATOM 0 HG SER A 11 181.485 9.203 6.141 1.00 0.00 H new ATOM 96 N ALA A 12 179.734 5.452 4.208 1.00 0.00 N ATOM 97 CA ALA A 12 180.366 4.189 3.850 1.00 0.00 C ATOM 98 C ALA A 12 181.878 4.253 4.039 1.00 0.00 C ATOM 99 O ALA A 12 182.599 4.768 3.185 1.00 0.00 O ATOM 100 CB ALA A 12 180.026 3.818 2.414 1.00 0.00 C ATOM 0 H ALA A 12 179.406 6.000 3.413 1.00 0.00 H new ATOM 0 HA ALA A 12 179.978 3.418 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.505 2.872 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.946 3.717 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.384 4.598 1.742 1.00 0.00 H new ATOM 106 N LYS A 13 182.351 3.714 5.158 1.00 0.00 N ATOM 107 CA LYS A 13 183.779 3.695 5.457 1.00 0.00 C ATOM 108 C LYS A 13 184.423 2.453 4.848 1.00 0.00 C ATOM 109 O LYS A 13 184.161 1.335 5.287 1.00 0.00 O ATOM 110 CB LYS A 13 184.009 3.718 6.968 1.00 0.00 C ATOM 111 CG LYS A 13 184.058 5.120 7.557 1.00 0.00 C ATOM 112 CD LYS A 13 183.000 5.315 8.634 1.00 0.00 C ATOM 113 CE LYS A 13 183.572 6.020 9.855 1.00 0.00 C ATOM 114 NZ LYS A 13 182.623 6.001 11.002 1.00 0.00 N ATOM 0 H LYS A 13 181.765 3.284 5.874 1.00 0.00 H new ATOM 0 HA LYS A 13 184.238 4.583 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.213 3.156 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.945 3.206 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.046 5.303 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 13 183.910 5.853 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 13 182.172 5.898 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 182.595 4.347 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 13 184.505 5.539 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 13 183.812 7.052 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 183.050 6.491 11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 181.742 6.482 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 182.414 5.016 11.263 1.00 0.00 H new ATOM 128 N LEU A 14 185.250 2.653 3.825 1.00 0.00 N ATOM 129 CA LEU A 14 185.905 1.536 3.149 1.00 0.00 C ATOM 130 C LEU A 14 187.383 1.432 3.510 1.00 0.00 C ATOM 131 O LEU A 14 187.981 2.373 4.033 1.00 0.00 O ATOM 132 CB LEU A 14 185.755 1.682 1.633 1.00 0.00 C ATOM 133 CG LEU A 14 184.320 1.861 1.137 1.00 0.00 C ATOM 134 CD1 LEU A 14 183.960 3.337 1.067 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.140 1.202 -0.223 1.00 0.00 C ATOM 0 H LEU A 14 185.482 3.572 3.448 1.00 0.00 H new ATOM 0 HA LEU A 14 185.417 0.621 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.345 2.538 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.181 0.800 1.155 1.00 0.00 H new ATOM 0 HG LEU A 14 183.648 1.377 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 182.935 3.445 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.049 3.781 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.637 3.845 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.113 1.339 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.822 1.657 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.356 0.137 -0.143 1.00 0.00 H new ATOM 147 N GLU A 15 187.961 0.271 3.213 1.00 0.00 N ATOM 148 CA GLU A 15 189.370 0.005 3.481 1.00 0.00 C ATOM 149 C GLU A 15 189.911 -1.001 2.467 1.00 0.00 C ATOM 150 O GLU A 15 189.215 -1.950 2.101 1.00 0.00 O ATOM 151 CB GLU A 15 189.548 -0.536 4.901 1.00 0.00 C ATOM 152 CG GLU A 15 189.454 0.536 5.975 1.00 0.00 C ATOM 153 CD GLU A 15 188.212 0.397 6.832 1.00 0.00 C ATOM 154 OE1 GLU A 15 187.853 -0.748 7.177 1.00 0.00 O ATOM 155 OE2 GLU A 15 187.598 1.436 7.158 1.00 0.00 O ATOM 0 H GLU A 15 187.467 -0.510 2.781 1.00 0.00 H new ATOM 0 HA GLU A 15 189.927 0.938 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.789 -1.295 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.517 -1.029 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 190.337 0.485 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 15 189.457 1.519 5.503 1.00 0.00 H new ATOM 162 N ALA A 16 191.140 -0.791 2.001 1.00 0.00 N ATOM 163 CA ALA A 16 191.732 -1.695 1.017 1.00 0.00 C ATOM 164 C ALA A 16 192.420 -2.876 1.691 1.00 0.00 C ATOM 165 O ALA A 16 193.355 -2.706 2.470 1.00 0.00 O ATOM 166 CB ALA A 16 192.710 -0.941 0.128 1.00 0.00 C ATOM 0 H ALA A 16 191.738 -0.015 2.283 1.00 0.00 H new ATOM 0 HA ALA A 16 190.928 -2.091 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.143 -1.627 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.185 -0.142 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.504 -0.514 0.741 1.00 0.00 H new ATOM 172 N ILE A 17 191.938 -4.076 1.385 1.00 0.00 N ATOM 173 CA ILE A 17 192.489 -5.297 1.959 1.00 0.00 C ATOM 174 C ILE A 17 193.560 -5.904 1.058 1.00 0.00 C ATOM 175 O ILE A 17 193.541 -5.722 -0.158 1.00 0.00 O ATOM 176 CB ILE A 17 191.385 -6.349 2.198 1.00 0.00 C ATOM 177 CG1 ILE A 17 190.159 -5.698 2.843 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.909 -7.481 3.068 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.451 -5.055 4.181 1.00 0.00 C ATOM 0 H ILE A 17 191.163 -4.229 0.739 1.00 0.00 H new ATOM 0 HA ILE A 17 192.939 -5.019 2.912 1.00 0.00 H new ATOM 0 HB ILE A 17 191.088 -6.765 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.760 -4.943 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.383 -6.452 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 17 191.118 -8.214 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.753 -7.960 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 17 192.232 -7.082 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.538 -4.614 4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.822 -5.810 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.204 -4.277 4.054 1.00 0.00 H new ATOM 191 N TYR A 18 194.492 -6.631 1.669 1.00 0.00 N ATOM 192 CA TYR A 18 195.573 -7.272 0.930 1.00 0.00 C ATOM 193 C TYR A 18 195.480 -8.793 1.057 1.00 0.00 C ATOM 194 O TYR A 18 195.013 -9.306 2.074 1.00 0.00 O ATOM 195 CB TYR A 18 196.929 -6.783 1.445 1.00 0.00 C ATOM 196 CG TYR A 18 197.831 -6.237 0.361 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.345 -5.351 -0.592 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.167 -6.612 0.287 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.167 -4.852 -1.587 1.00 0.00 C ATOM 200 CE2 TYR A 18 199.994 -6.118 -0.703 1.00 0.00 C ATOM 201 CZ TYR A 18 199.489 -5.238 -1.638 1.00 0.00 C ATOM 202 OH TYR A 18 200.310 -4.744 -2.627 1.00 0.00 O ATOM 0 H TYR A 18 194.519 -6.790 2.676 1.00 0.00 H new ATOM 0 HA TYR A 18 195.478 -7.004 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.765 -6.008 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.436 -7.608 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.309 -5.047 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 18 199.566 -7.302 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 18 197.774 -4.163 -2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 18 201.030 -6.419 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 18 201.211 -5.115 -2.520 1.00 0.00 H new ATOM 212 N PRO A 19 195.922 -9.540 0.027 1.00 0.00 N ATOM 213 CA PRO A 19 196.484 -8.984 -1.202 1.00 0.00 C ATOM 214 C PRO A 19 195.402 -8.531 -2.178 1.00 0.00 C ATOM 215 O PRO A 19 195.698 -7.921 -3.206 1.00 0.00 O ATOM 216 CB PRO A 19 197.287 -10.155 -1.798 1.00 0.00 C ATOM 217 CG PRO A 19 197.122 -11.302 -0.846 1.00 0.00 C ATOM 218 CD PRO A 19 195.905 -10.999 -0.021 1.00 0.00 C ATOM 0 HA PRO A 19 197.086 -8.096 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 19 196.917 -10.416 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.338 -9.889 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 19 197.000 -12.241 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 19 198.003 -11.411 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.994 -11.381 -0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.967 -11.440 0.974 1.00 0.00 H new ATOM 226 N ARG A 20 194.148 -8.830 -1.851 1.00 0.00 N ATOM 227 CA ARG A 20 193.031 -8.452 -2.697 1.00 0.00 C ATOM 228 C ARG A 20 191.704 -8.652 -1.972 1.00 0.00 C ATOM 229 O ARG A 20 191.128 -9.741 -1.995 1.00 0.00 O ATOM 230 CB ARG A 20 193.047 -9.261 -3.995 1.00 0.00 C ATOM 231 CG ARG A 20 193.269 -10.750 -3.782 1.00 0.00 C ATOM 232 CD ARG A 20 193.009 -11.543 -5.054 1.00 0.00 C ATOM 233 NE ARG A 20 194.252 -11.955 -5.704 1.00 0.00 N ATOM 234 CZ ARG A 20 194.313 -12.451 -6.939 1.00 0.00 C ATOM 235 NH1 ARG A 20 193.207 -12.599 -7.659 1.00 0.00 N ATOM 236 NH2 ARG A 20 195.482 -12.802 -7.455 1.00 0.00 N ATOM 0 H ARG A 20 193.884 -9.334 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 20 193.134 -7.394 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 20 192.101 -9.114 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.832 -8.874 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 20 194.292 -10.922 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 20 192.611 -11.107 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 20 192.414 -12.425 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 20 192.421 -10.938 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 20 195.123 -11.857 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 20 192.304 -12.332 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 20 193.261 -12.979 -8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 196.335 -12.692 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 20 195.529 -13.182 -8.401 1.00 0.00 H new ATOM 250 N GLY A 21 191.220 -7.591 -1.334 1.00 0.00 N ATOM 251 CA GLY A 21 189.961 -7.667 -0.615 1.00 0.00 C ATOM 252 C GLY A 21 189.329 -6.302 -0.411 1.00 0.00 C ATOM 253 O GLY A 21 189.754 -5.319 -1.016 1.00 0.00 O ATOM 0 H GLY A 21 191.677 -6.680 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 21 189.270 -8.306 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 21 190.127 -8.136 0.355 1.00 0.00 H new ATOM 257 N LEU A 22 188.311 -6.240 0.444 1.00 0.00 N ATOM 258 CA LEU A 22 187.625 -4.981 0.717 1.00 0.00 C ATOM 259 C LEU A 22 186.899 -5.031 2.059 1.00 0.00 C ATOM 260 O LEU A 22 186.425 -6.084 2.483 1.00 0.00 O ATOM 261 CB LEU A 22 186.634 -4.665 -0.405 1.00 0.00 C ATOM 262 CG LEU A 22 185.703 -3.480 -0.141 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.503 -2.209 0.086 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.728 -3.301 -1.297 1.00 0.00 C ATOM 0 H LEU A 22 187.945 -7.042 0.957 1.00 0.00 H new ATOM 0 HA LEU A 22 188.374 -4.191 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.195 -4.468 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 22 186.025 -5.550 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 22 185.131 -3.688 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.822 -1.379 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 22 187.158 -2.340 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 22 187.104 -1.995 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 22 184.073 -2.454 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 22 185.284 -3.117 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 22 184.128 -4.204 -1.410 1.00 0.00 H new ATOM 276 N ARG A 23 186.811 -3.877 2.717 1.00 0.00 N ATOM 277 CA ARG A 23 186.137 -3.778 4.007 1.00 0.00 C ATOM 278 C ARG A 23 185.389 -2.453 4.123 1.00 0.00 C ATOM 279 O ARG A 23 186.000 -1.402 4.321 1.00 0.00 O ATOM 280 CB ARG A 23 187.149 -3.910 5.147 1.00 0.00 C ATOM 281 CG ARG A 23 186.517 -3.855 6.530 1.00 0.00 C ATOM 282 CD ARG A 23 186.729 -5.151 7.296 1.00 0.00 C ATOM 283 NE ARG A 23 188.146 -5.488 7.421 1.00 0.00 N ATOM 284 CZ ARG A 23 188.624 -6.370 8.298 1.00 0.00 C ATOM 285 NH1 ARG A 23 187.804 -7.001 9.127 1.00 0.00 N ATOM 286 NH2 ARG A 23 189.925 -6.618 8.344 1.00 0.00 N ATOM 0 H ARG A 23 187.199 -2.997 2.377 1.00 0.00 H new ATOM 0 HA ARG A 23 185.415 -4.592 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.685 -4.853 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.887 -3.112 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 23 186.945 -3.025 7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 23 185.449 -3.659 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 23 186.289 -5.061 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 23 186.207 -5.962 6.788 1.00 0.00 H new ATOM 0 HE ARG A 23 188.807 -5.021 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 23 186.802 -6.812 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 23 188.175 -7.675 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 23 190.559 -6.134 7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 23 190.292 -7.293 9.015 1.00 0.00 H new ATOM 300 N VAL A 24 184.066 -2.506 3.994 1.00 0.00 N ATOM 301 CA VAL A 24 183.243 -1.305 4.079 1.00 0.00 C ATOM 302 C VAL A 24 182.348 -1.327 5.316 1.00 0.00 C ATOM 303 O VAL A 24 182.087 -2.386 5.888 1.00 0.00 O ATOM 304 CB VAL A 24 182.356 -1.143 2.832 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.686 0.221 2.821 1.00 0.00 C ATOM 306 CG2 VAL A 24 183.171 -1.357 1.565 1.00 0.00 C ATOM 0 H VAL A 24 183.543 -3.366 3.831 1.00 0.00 H new ATOM 0 HA VAL A 24 183.931 -0.462 4.146 1.00 0.00 H new ATOM 0 HB VAL A 24 181.574 -1.902 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 24 181.064 0.314 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 24 181.065 0.329 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.448 1.001 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.527 -1.238 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.977 -0.624 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.594 -2.362 1.570 1.00 0.00 H new ATOM 316 N SER A 25 181.877 -0.150 5.720 1.00 0.00 N ATOM 317 CA SER A 25 181.008 -0.029 6.885 1.00 0.00 C ATOM 318 C SER A 25 180.141 1.224 6.789 1.00 0.00 C ATOM 319 O SER A 25 180.577 2.252 6.278 1.00 0.00 O ATOM 320 CB SER A 25 181.838 0.011 8.169 1.00 0.00 C ATOM 321 OG SER A 25 183.128 -0.539 7.960 1.00 0.00 O ATOM 0 H SER A 25 182.084 0.735 5.256 1.00 0.00 H new ATOM 0 HA SER A 25 180.356 -0.902 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.930 1.041 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.325 -0.544 8.955 1.00 0.00 H new ATOM 0 HG SER A 25 183.639 -0.500 8.795 1.00 0.00 H new ATOM 327 N ILE A 26 178.912 1.129 7.287 1.00 0.00 N ATOM 328 CA ILE A 26 177.987 2.257 7.258 1.00 0.00 C ATOM 329 C ILE A 26 177.149 2.310 8.536 1.00 0.00 C ATOM 330 O ILE A 26 176.361 1.399 8.805 1.00 0.00 O ATOM 331 CB ILE A 26 177.033 2.170 6.053 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.329 0.815 6.035 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.786 2.400 4.753 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.820 0.918 6.041 1.00 0.00 C ATOM 0 H ILE A 26 178.534 0.284 7.715 1.00 0.00 H new ATOM 0 HA ILE A 26 178.593 3.159 7.175 1.00 0.00 H new ATOM 0 HB ILE A 26 176.280 2.952 6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.644 0.263 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.649 0.237 6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 26 177.093 2.334 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.244 3.389 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.562 1.642 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.387 -0.082 6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.495 1.442 6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.489 1.468 5.160 1.00 0.00 H new ATOM 346 N PRO A 27 177.303 3.376 9.344 1.00 0.00 N ATOM 347 CA PRO A 27 176.549 3.537 10.593 1.00 0.00 C ATOM 348 C PRO A 27 175.061 3.263 10.406 1.00 0.00 C ATOM 349 O PRO A 27 174.336 4.076 9.830 1.00 0.00 O ATOM 350 CB PRO A 27 176.784 5.002 10.956 1.00 0.00 C ATOM 351 CG PRO A 27 178.111 5.328 10.364 1.00 0.00 C ATOM 352 CD PRO A 27 178.221 4.507 9.107 1.00 0.00 C ATOM 0 HA PRO A 27 176.872 2.836 11.363 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.001 5.642 10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 27 176.785 5.147 12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 27 178.188 6.392 10.142 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.917 5.088 11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.930 5.081 8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.243 4.165 8.941 1.00 0.00 H new ATOM 360 N ASP A 28 174.613 2.112 10.892 1.00 0.00 N ATOM 361 CA ASP A 28 173.213 1.724 10.776 1.00 0.00 C ATOM 362 C ASP A 28 172.331 2.562 11.693 1.00 0.00 C ATOM 363 O ASP A 28 172.751 2.985 12.770 1.00 0.00 O ATOM 364 CB ASP A 28 173.044 0.240 11.112 1.00 0.00 C ATOM 365 CG ASP A 28 171.602 -0.221 11.015 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.828 0.403 10.258 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.247 -1.205 11.695 1.00 0.00 O ATOM 0 H ASP A 28 175.200 1.430 11.371 1.00 0.00 H new ATOM 0 HA ASP A 28 172.903 1.899 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.658 -0.354 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.413 0.056 12.121 1.00 0.00 H new ATOM 372 N ASP A 29 171.096 2.779 11.257 1.00 0.00 N ATOM 373 CA ASP A 29 170.130 3.546 12.029 1.00 0.00 C ATOM 374 C ASP A 29 168.792 2.821 12.032 1.00 0.00 C ATOM 375 O ASP A 29 167.739 3.424 11.825 1.00 0.00 O ATOM 376 CB ASP A 29 169.969 4.952 11.447 1.00 0.00 C ATOM 377 CG ASP A 29 169.888 6.015 12.524 1.00 0.00 C ATOM 378 OD1 ASP A 29 170.592 5.880 13.546 1.00 0.00 O ATOM 379 OD2 ASP A 29 169.121 6.985 12.344 1.00 0.00 O ATOM 0 H ASP A 29 170.740 2.431 10.367 1.00 0.00 H new ATOM 0 HA ASP A 29 170.491 3.641 13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.810 5.169 10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.068 4.988 10.835 1.00 0.00 H new ATOM 384 N GLY A 30 168.851 1.514 12.265 1.00 0.00 N ATOM 385 CA GLY A 30 167.655 0.710 12.289 1.00 0.00 C ATOM 386 C GLY A 30 167.035 0.561 10.914 1.00 0.00 C ATOM 387 O GLY A 30 165.811 0.547 10.775 1.00 0.00 O ATOM 0 H GLY A 30 169.715 0.999 12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.891 -0.277 12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.929 1.162 12.965 1.00 0.00 H new ATOM 391 N PHE A 31 167.882 0.450 9.893 1.00 0.00 N ATOM 392 CA PHE A 31 167.407 0.304 8.524 1.00 0.00 C ATOM 393 C PHE A 31 166.951 -1.121 8.254 1.00 0.00 C ATOM 394 O PHE A 31 166.874 -1.952 9.158 1.00 0.00 O ATOM 395 CB PHE A 31 168.499 0.676 7.518 1.00 0.00 C ATOM 396 CG PHE A 31 169.205 1.962 7.839 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.486 3.095 8.178 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.588 2.037 7.800 1.00 0.00 C ATOM 399 CE1 PHE A 31 169.130 4.281 8.472 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.239 3.220 8.092 1.00 0.00 C ATOM 401 CZ PHE A 31 170.509 4.344 8.430 1.00 0.00 C ATOM 0 H PHE A 31 168.897 0.459 9.990 1.00 0.00 H new ATOM 0 HA PHE A 31 166.562 0.982 8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.232 -0.130 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 31 168.055 0.754 6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.407 3.051 8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.163 1.161 7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.556 5.158 8.734 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.317 3.267 8.056 1.00 0.00 H new ATOM 0 HZ PHE A 31 171.016 5.269 8.661 1.00 0.00 H new ATOM 411 N SER A 32 166.656 -1.384 6.993 1.00 0.00 N ATOM 412 CA SER A 32 166.211 -2.693 6.558 1.00 0.00 C ATOM 413 C SER A 32 166.964 -3.132 5.310 1.00 0.00 C ATOM 414 O SER A 32 167.122 -4.328 5.068 1.00 0.00 O ATOM 415 CB SER A 32 164.706 -2.684 6.289 1.00 0.00 C ATOM 416 OG SER A 32 164.386 -1.830 5.205 1.00 0.00 O ATOM 0 H SER A 32 166.719 -0.695 6.243 1.00 0.00 H new ATOM 0 HA SER A 32 166.421 -3.405 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.367 -3.697 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.176 -2.356 7.183 1.00 0.00 H new ATOM 0 HG SER A 32 164.584 -0.902 5.450 1.00 0.00 H new ATOM 422 N LEU A 33 167.438 -2.171 4.510 1.00 0.00 N ATOM 423 CA LEU A 33 168.176 -2.527 3.299 1.00 0.00 C ATOM 424 C LEU A 33 169.359 -1.607 3.051 1.00 0.00 C ATOM 425 O LEU A 33 169.211 -0.390 3.018 1.00 0.00 O ATOM 426 CB LEU A 33 167.280 -2.497 2.063 1.00 0.00 C ATOM 427 CG LEU A 33 167.784 -3.352 0.901 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.466 -4.820 1.132 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.193 -2.876 -0.417 1.00 0.00 C ATOM 0 H LEU A 33 167.328 -1.170 4.673 1.00 0.00 H new ATOM 0 HA LEU A 33 168.541 -3.540 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.283 -2.837 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.182 -1.466 1.724 1.00 0.00 H new ATOM 0 HG LEU A 33 168.867 -3.243 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 33 167.834 -5.409 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 33 167.948 -5.157 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.387 -4.949 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.566 -3.500 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.106 -2.947 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.483 -1.840 -0.593 1.00 0.00 H new ATOM 441 N PHE A 34 170.526 -2.208 2.849 1.00 0.00 N ATOM 442 CA PHE A 34 171.742 -1.463 2.567 1.00 0.00 C ATOM 443 C PHE A 34 172.310 -1.886 1.213 1.00 0.00 C ATOM 444 O PHE A 34 173.058 -2.858 1.122 1.00 0.00 O ATOM 445 CB PHE A 34 172.773 -1.704 3.665 1.00 0.00 C ATOM 446 CG PHE A 34 174.130 -1.135 3.351 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.259 0.158 2.869 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.274 -1.897 3.529 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.504 0.679 2.569 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.521 -1.381 3.234 1.00 0.00 C ATOM 451 CZ PHE A 34 176.636 -0.091 2.751 1.00 0.00 C ATOM 0 H PHE A 34 170.653 -3.220 2.876 1.00 0.00 H new ATOM 0 HA PHE A 34 171.505 -0.400 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.411 -1.266 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 34 172.868 -2.777 3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.377 0.765 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.189 -2.907 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.591 1.688 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.405 -1.984 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.609 0.314 2.516 1.00 0.00 H new ATOM 461 N ALA A 35 171.947 -1.153 0.165 1.00 0.00 N ATOM 462 CA ALA A 35 172.420 -1.456 -1.178 1.00 0.00 C ATOM 463 C ALA A 35 173.638 -0.615 -1.529 1.00 0.00 C ATOM 464 O ALA A 35 173.576 0.616 -1.525 1.00 0.00 O ATOM 465 CB ALA A 35 171.307 -1.232 -2.193 1.00 0.00 C ATOM 0 H ALA A 35 171.327 -0.345 0.222 1.00 0.00 H new ATOM 0 HA ALA A 35 172.715 -2.505 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.675 -1.462 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.464 -1.882 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 35 170.985 -0.191 -2.156 1.00 0.00 H new ATOM 471 N PHE A 36 174.745 -1.283 -1.824 1.00 0.00 N ATOM 472 CA PHE A 36 175.978 -0.591 -2.171 1.00 0.00 C ATOM 473 C PHE A 36 176.265 -0.695 -3.663 1.00 0.00 C ATOM 474 O PHE A 36 176.227 -1.781 -4.238 1.00 0.00 O ATOM 475 CB PHE A 36 177.150 -1.166 -1.375 1.00 0.00 C ATOM 476 CG PHE A 36 178.423 -0.385 -1.533 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.243 -0.585 -2.634 1.00 0.00 C ATOM 478 CD2 PHE A 36 178.800 0.550 -0.582 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.414 0.132 -2.781 1.00 0.00 C ATOM 480 CE2 PHE A 36 179.972 1.269 -0.725 1.00 0.00 C ATOM 481 CZ PHE A 36 180.780 1.061 -1.825 1.00 0.00 C ATOM 0 H PHE A 36 174.814 -2.301 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 36 175.854 0.462 -1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.881 -1.197 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.323 -2.195 -1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 36 178.962 -1.309 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.171 0.719 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 36 181.044 -0.033 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.256 1.994 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.696 1.623 -1.938 1.00 0.00 H new ATOM 491 N HIS A 37 176.550 0.450 -4.277 1.00 0.00 N ATOM 492 CA HIS A 37 176.855 0.523 -5.694 1.00 0.00 C ATOM 493 C HIS A 37 178.170 1.276 -5.877 1.00 0.00 C ATOM 494 O HIS A 37 178.253 2.451 -5.522 1.00 0.00 O ATOM 495 CB HIS A 37 175.729 1.263 -6.406 1.00 0.00 C ATOM 496 CG HIS A 37 175.053 0.471 -7.486 1.00 0.00 C ATOM 497 ND1 HIS A 37 175.046 -0.906 -7.515 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.342 0.871 -8.566 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.361 -1.319 -8.567 1.00 0.00 C ATOM 500 NE2 HIS A 37 173.923 -0.260 -9.221 1.00 0.00 N ATOM 0 H HIS A 37 176.575 1.352 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 37 176.949 -0.478 -6.114 1.00 0.00 H new ATOM 0 HB2 HIS A 37 174.983 1.560 -5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.130 2.179 -6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 37 174.142 1.891 -8.858 1.00 0.00 H new ATOM 0 HE1 HIS A 37 174.189 -2.349 -8.844 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.364 -0.279 -10.074 1.00 0.00 H new ATOM 509 N GLY A 38 179.205 0.618 -6.404 1.00 0.00 N ATOM 510 CA GLY A 38 180.470 1.313 -6.557 1.00 0.00 C ATOM 511 C GLY A 38 181.370 0.750 -7.634 1.00 0.00 C ATOM 512 O GLY A 38 181.498 -0.465 -7.782 1.00 0.00 O ATOM 0 H GLY A 38 179.191 -0.352 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.269 2.361 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.002 1.286 -5.606 1.00 0.00 H new ATOM 516 N LYS A 39 182.016 1.650 -8.369 1.00 0.00 N ATOM 517 CA LYS A 39 182.937 1.270 -9.429 1.00 0.00 C ATOM 518 C LYS A 39 184.344 1.756 -9.098 1.00 0.00 C ATOM 519 O LYS A 39 184.517 2.815 -8.492 1.00 0.00 O ATOM 520 CB LYS A 39 182.481 1.849 -10.768 1.00 0.00 C ATOM 521 CG LYS A 39 183.191 1.243 -11.968 1.00 0.00 C ATOM 522 CD LYS A 39 182.399 0.087 -12.557 1.00 0.00 C ATOM 523 CE LYS A 39 182.946 -0.329 -13.914 1.00 0.00 C ATOM 524 NZ LYS A 39 184.432 -0.416 -13.911 1.00 0.00 N ATOM 0 H LYS A 39 181.915 2.657 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 39 182.947 0.183 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.408 1.693 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.648 2.926 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.340 2.009 -12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 39 184.179 0.894 -11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 39 182.431 -0.762 -11.875 1.00 0.00 H new ATOM 0 HD3 LYS A 39 181.353 0.375 -12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 39 182.526 -1.295 -14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 39 182.626 0.388 -14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 184.792 -0.246 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 184.820 0.300 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 184.724 -1.363 -13.595 1.00 0.00 H new ATOM 538 N LEU A 40 185.346 0.978 -9.491 1.00 0.00 N ATOM 539 CA LEU A 40 186.734 1.334 -9.224 1.00 0.00 C ATOM 540 C LEU A 40 187.342 2.096 -10.397 1.00 0.00 C ATOM 541 O LEU A 40 187.368 1.605 -11.526 1.00 0.00 O ATOM 542 CB LEU A 40 187.554 0.076 -8.935 1.00 0.00 C ATOM 543 CG LEU A 40 189.008 0.328 -8.534 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.087 0.840 -7.103 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.830 -0.942 -8.694 1.00 0.00 C ATOM 0 H LEU A 40 185.224 0.099 -9.994 1.00 0.00 H new ATOM 0 HA LEU A 40 186.754 1.984 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 40 187.065 -0.483 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.542 -0.558 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 40 189.421 1.091 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.129 1.014 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.531 1.774 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.658 0.100 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.862 -0.746 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.417 -1.725 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.800 -1.266 -9.734 1.00 0.00 H new ATOM 557 N ASN A 41 187.832 3.302 -10.121 1.00 0.00 N ATOM 558 CA ASN A 41 188.442 4.138 -11.149 1.00 0.00 C ATOM 559 C ASN A 41 187.471 4.393 -12.297 1.00 0.00 C ATOM 560 O ASN A 41 187.690 3.942 -13.421 1.00 0.00 O ATOM 561 CB ASN A 41 189.721 3.482 -11.677 1.00 0.00 C ATOM 562 CG ASN A 41 190.594 4.456 -12.442 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.964 4.207 -13.589 1.00 0.00 O ATOM 564 ND2 ASN A 41 190.932 5.572 -11.808 1.00 0.00 N ATOM 0 H ASN A 41 187.818 3.722 -9.192 1.00 0.00 H new ATOM 0 HA ASN A 41 188.695 5.097 -10.697 1.00 0.00 H new ATOM 0 HB2 ASN A 41 190.287 3.070 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.457 2.647 -12.326 1.00 0.00 H new ATOM 0 HD21 ASN A 41 191.521 6.264 -12.272 1.00 0.00 H new ATOM 0 HD22 ASN A 41 190.603 5.738 -10.857 1.00 0.00 H new ATOM 571 N GLU A 42 186.398 5.126 -12.004 1.00 0.00 N ATOM 572 CA GLU A 42 185.383 5.458 -12.997 1.00 0.00 C ATOM 573 C GLU A 42 184.175 6.091 -12.322 1.00 0.00 C ATOM 574 O GLU A 42 183.444 5.431 -11.584 1.00 0.00 O ATOM 575 CB GLU A 42 184.944 4.216 -13.780 1.00 0.00 C ATOM 576 CG GLU A 42 183.797 4.488 -14.740 1.00 0.00 C ATOM 577 CD GLU A 42 183.333 3.240 -15.466 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.196 2.443 -15.889 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.105 3.060 -15.610 1.00 0.00 O ATOM 0 H GLU A 42 186.210 5.504 -11.075 1.00 0.00 H new ATOM 0 HA GLU A 42 185.822 6.168 -13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.795 3.829 -14.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.645 3.438 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.960 4.915 -14.188 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.110 5.234 -15.471 1.00 0.00 H new ATOM 586 N GLU A 43 183.979 7.375 -12.578 1.00 0.00 N ATOM 587 CA GLU A 43 182.863 8.114 -11.999 1.00 0.00 C ATOM 588 C GLU A 43 181.532 7.437 -12.304 1.00 0.00 C ATOM 589 O GLU A 43 181.489 6.302 -12.779 1.00 0.00 O ATOM 590 CB GLU A 43 182.843 9.550 -12.523 1.00 0.00 C ATOM 591 CG GLU A 43 184.164 10.268 -12.344 1.00 0.00 C ATOM 592 CD GLU A 43 184.152 11.670 -12.922 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.695 11.834 -14.072 1.00 0.00 O ATOM 594 OE2 GLU A 43 184.601 12.603 -12.222 1.00 0.00 O ATOM 0 H GLU A 43 184.580 7.931 -13.186 1.00 0.00 H new ATOM 0 HA GLU A 43 183.002 8.127 -10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.583 9.540 -13.581 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.061 10.107 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.404 10.319 -11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 184.955 9.689 -12.822 1.00 0.00 H new ATOM 601 N MET A 44 180.448 8.145 -12.021 1.00 0.00 N ATOM 602 CA MET A 44 179.108 7.619 -12.255 1.00 0.00 C ATOM 603 C MET A 44 178.162 8.719 -12.725 1.00 0.00 C ATOM 604 O MET A 44 177.947 9.709 -12.025 1.00 0.00 O ATOM 605 CB MET A 44 178.561 6.969 -10.981 1.00 0.00 C ATOM 606 CG MET A 44 179.642 6.462 -10.040 1.00 0.00 C ATOM 607 SD MET A 44 178.973 5.745 -8.527 1.00 0.00 S ATOM 608 CE MET A 44 178.382 4.164 -9.126 1.00 0.00 C ATOM 0 H MET A 44 180.469 9.086 -11.629 1.00 0.00 H new ATOM 0 HA MET A 44 179.175 6.865 -13.039 1.00 0.00 H new ATOM 0 HB2 MET A 44 177.942 7.693 -10.452 1.00 0.00 H new ATOM 0 HB3 MET A 44 177.913 6.137 -11.258 1.00 0.00 H new ATOM 0 HG2 MET A 44 180.244 5.714 -10.556 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.308 7.285 -9.783 1.00 0.00 H new ATOM 0 HE1 MET A 44 178.087 3.542 -8.281 1.00 0.00 H new ATOM 0 HE2 MET A 44 177.523 4.320 -9.779 1.00 0.00 H new ATOM 0 HE3 MET A 44 179.176 3.666 -9.683 1.00 0.00 H new ATOM 618 N ASP A 45 177.599 8.539 -13.915 1.00 0.00 N ATOM 619 CA ASP A 45 176.684 9.496 -14.489 1.00 0.00 C ATOM 620 C ASP A 45 175.273 9.291 -13.940 1.00 0.00 C ATOM 621 O ASP A 45 174.326 9.065 -14.693 1.00 0.00 O ATOM 622 CB ASP A 45 176.688 9.358 -16.014 1.00 0.00 C ATOM 623 CG ASP A 45 177.363 8.092 -16.516 1.00 0.00 C ATOM 624 OD1 ASP A 45 178.592 8.123 -16.744 1.00 0.00 O ATOM 625 OD2 ASP A 45 176.663 7.070 -16.681 1.00 0.00 O ATOM 0 H ASP A 45 177.770 7.723 -14.502 1.00 0.00 H new ATOM 0 HA ASP A 45 177.009 10.501 -14.219 1.00 0.00 H new ATOM 0 HB2 ASP A 45 175.659 9.376 -16.373 1.00 0.00 H new ATOM 0 HB3 ASP A 45 177.192 10.223 -16.446 1.00 0.00 H new ATOM 630 N GLY A 46 175.143 9.372 -12.620 1.00 0.00 N ATOM 631 CA GLY A 46 173.866 9.196 -11.990 1.00 0.00 C ATOM 632 C GLY A 46 173.543 7.746 -11.734 1.00 0.00 C ATOM 633 O GLY A 46 173.156 7.012 -12.645 1.00 0.00 O ATOM 0 H GLY A 46 175.913 9.559 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 46 173.852 9.740 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 46 173.091 9.632 -12.620 1.00 0.00 H new ATOM 637 N LEU A 47 173.680 7.356 -10.478 1.00 0.00 N ATOM 638 CA LEU A 47 173.393 6.007 -10.024 1.00 0.00 C ATOM 639 C LEU A 47 173.611 4.963 -11.114 1.00 0.00 C ATOM 640 O LEU A 47 172.661 4.467 -11.720 1.00 0.00 O ATOM 641 CB LEU A 47 171.965 5.967 -9.512 1.00 0.00 C ATOM 642 CG LEU A 47 171.457 7.303 -8.968 1.00 0.00 C ATOM 643 CD1 LEU A 47 169.956 7.256 -8.733 1.00 0.00 C ATOM 644 CD2 LEU A 47 172.196 7.655 -7.687 1.00 0.00 C ATOM 0 H LEU A 47 173.999 7.977 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 47 174.089 5.754 -9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 47 171.310 5.644 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 47 171.894 5.216 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 47 171.652 8.079 -9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 47 169.618 8.217 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 47 169.447 7.044 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 169.725 6.473 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 47 171.829 8.608 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 47 172.026 6.876 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 47 173.264 7.734 -7.893 1.00 0.00 H new ATOM 656 N GLU A 48 174.875 4.637 -11.351 1.00 0.00 N ATOM 657 CA GLU A 48 175.236 3.651 -12.363 1.00 0.00 C ATOM 658 C GLU A 48 175.412 2.275 -11.731 1.00 0.00 C ATOM 659 O GLU A 48 175.687 2.162 -10.538 1.00 0.00 O ATOM 660 CB GLU A 48 176.523 4.069 -13.076 1.00 0.00 C ATOM 661 CG GLU A 48 176.285 4.924 -14.310 1.00 0.00 C ATOM 662 CD GLU A 48 175.459 4.210 -15.362 1.00 0.00 C ATOM 663 OE1 GLU A 48 176.010 3.321 -16.046 1.00 0.00 O ATOM 664 OE2 GLU A 48 174.264 4.539 -15.503 1.00 0.00 O ATOM 0 H GLU A 48 175.669 5.042 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 48 174.429 3.598 -13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 48 177.152 4.621 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 48 177.075 3.175 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 48 175.779 5.844 -14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 48 177.245 5.211 -14.740 1.00 0.00 H new ATOM 671 N ALA A 49 175.245 1.229 -12.539 1.00 0.00 N ATOM 672 CA ALA A 49 175.377 -0.143 -12.060 1.00 0.00 C ATOM 673 C ALA A 49 176.609 -0.313 -11.174 1.00 0.00 C ATOM 674 O ALA A 49 176.565 -1.010 -10.160 1.00 0.00 O ATOM 675 CB ALA A 49 175.437 -1.109 -13.233 1.00 0.00 C ATOM 0 H ALA A 49 175.018 1.308 -13.530 1.00 0.00 H new ATOM 0 HA ALA A 49 174.498 -0.368 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.535 -2.128 -12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.523 -1.024 -13.821 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.295 -0.867 -13.860 1.00 0.00 H new ATOM 681 N GLY A 50 177.708 0.327 -11.564 1.00 0.00 N ATOM 682 CA GLY A 50 178.936 0.231 -10.794 1.00 0.00 C ATOM 683 C GLY A 50 179.351 -1.205 -10.540 1.00 0.00 C ATOM 684 O GLY A 50 178.640 -2.138 -10.910 1.00 0.00 O ATOM 0 H GLY A 50 177.770 0.910 -12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.735 0.748 -11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 50 178.804 0.742 -9.840 1.00 0.00 H new ATOM 688 N HIS A 51 180.507 -1.383 -9.908 1.00 0.00 N ATOM 689 CA HIS A 51 181.009 -2.717 -9.610 1.00 0.00 C ATOM 690 C HIS A 51 180.330 -3.301 -8.378 1.00 0.00 C ATOM 691 O HIS A 51 179.428 -4.128 -8.495 1.00 0.00 O ATOM 692 CB HIS A 51 182.526 -2.692 -9.413 1.00 0.00 C ATOM 693 CG HIS A 51 183.295 -3.060 -10.646 1.00 0.00 C ATOM 694 ND1 HIS A 51 183.100 -4.241 -11.331 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.267 -2.396 -11.318 1.00 0.00 C ATOM 696 CE1 HIS A 51 183.917 -4.288 -12.368 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.634 -3.181 -12.383 1.00 0.00 N ATOM 0 H HIS A 51 181.110 -0.623 -9.594 1.00 0.00 H new ATOM 0 HA HIS A 51 180.775 -3.355 -10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.826 -1.695 -9.091 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.792 -3.380 -8.610 1.00 0.00 H new ATOM 0 HD1 HIS A 51 182.429 -4.966 -11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 51 184.676 -1.430 -11.063 1.00 0.00 H new ATOM 0 HE1 HIS A 51 183.986 -5.095 -13.082 1.00 0.00 H new ATOM 706 N TRP A 52 180.768 -2.867 -7.201 1.00 0.00 N ATOM 707 CA TRP A 52 180.195 -3.351 -5.949 1.00 0.00 C ATOM 708 C TRP A 52 178.695 -3.094 -5.915 1.00 0.00 C ATOM 709 O TRP A 52 178.241 -2.082 -5.389 1.00 0.00 O ATOM 710 CB TRP A 52 180.874 -2.673 -4.761 1.00 0.00 C ATOM 711 CG TRP A 52 182.329 -2.998 -4.663 1.00 0.00 C ATOM 712 CD1 TRP A 52 182.873 -4.198 -4.311 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.427 -2.119 -4.929 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.242 -4.121 -4.341 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.609 -2.853 -4.716 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.527 -0.782 -5.327 1.00 0.00 C ATOM 717 CZ2 TRP A 52 185.874 -2.295 -4.888 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.782 -0.230 -5.498 1.00 0.00 C ATOM 719 CH2 TRP A 52 185.940 -0.986 -5.278 1.00 0.00 C ATOM 0 H TRP A 52 181.516 -2.183 -7.087 1.00 0.00 H new ATOM 0 HA TRP A 52 180.364 -4.426 -5.883 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.753 -1.593 -4.847 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.375 -2.978 -3.841 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.308 -5.080 -4.047 1.00 0.00 H new ATOM 0 HE1 TRP A 52 184.883 -4.883 -4.120 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.639 -0.191 -5.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.769 -2.875 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 184.871 0.801 -5.806 1.00 0.00 H new ATOM 0 HH2 TRP A 52 186.906 -0.525 -5.419 1.00 0.00 H new ATOM 730 N ALA A 53 177.937 -4.019 -6.497 1.00 0.00 N ATOM 731 CA ALA A 53 176.483 -3.912 -6.554 1.00 0.00 C ATOM 732 C ALA A 53 175.815 -5.071 -5.825 1.00 0.00 C ATOM 733 O ALA A 53 175.545 -6.112 -6.422 1.00 0.00 O ATOM 734 CB ALA A 53 176.017 -3.854 -7.999 1.00 0.00 C ATOM 0 H ALA A 53 178.311 -4.859 -6.940 1.00 0.00 H new ATOM 0 HA ALA A 53 176.192 -2.990 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.930 -3.774 -8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.458 -2.986 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.328 -4.760 -8.518 1.00 0.00 H new ATOM 740 N ARG A 54 175.558 -4.897 -4.534 1.00 0.00 N ATOM 741 CA ARG A 54 174.934 -5.948 -3.747 1.00 0.00 C ATOM 742 C ARG A 54 174.071 -5.382 -2.620 1.00 0.00 C ATOM 743 O ARG A 54 174.494 -4.489 -1.885 1.00 0.00 O ATOM 744 CB ARG A 54 176.021 -6.853 -3.178 1.00 0.00 C ATOM 745 CG ARG A 54 175.490 -8.135 -2.556 1.00 0.00 C ATOM 746 CD ARG A 54 176.206 -9.361 -3.101 1.00 0.00 C ATOM 747 NE ARG A 54 177.592 -9.435 -2.641 1.00 0.00 N ATOM 748 CZ ARG A 54 178.528 -10.179 -3.227 1.00 0.00 C ATOM 749 NH1 ARG A 54 178.232 -10.913 -4.293 1.00 0.00 N ATOM 750 NH2 ARG A 54 179.763 -10.190 -2.744 1.00 0.00 N ATOM 0 H ARG A 54 175.771 -4.045 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 54 174.273 -6.520 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 54 176.721 -7.109 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.583 -6.301 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 54 175.613 -8.093 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 54 174.421 -8.220 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 54 175.673 -10.260 -2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.186 -9.338 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 54 177.857 -8.885 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 54 177.283 -10.909 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 54 178.953 -11.481 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 179.995 -9.629 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 54 180.481 -10.760 -3.192 1.00 0.00 H new ATOM 764 N ASP A 55 172.859 -5.918 -2.490 1.00 0.00 N ATOM 765 CA ASP A 55 171.927 -5.486 -1.456 1.00 0.00 C ATOM 766 C ASP A 55 172.097 -6.328 -0.195 1.00 0.00 C ATOM 767 O ASP A 55 172.230 -7.549 -0.268 1.00 0.00 O ATOM 768 CB ASP A 55 170.490 -5.597 -1.966 1.00 0.00 C ATOM 769 CG ASP A 55 170.216 -6.919 -2.659 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.344 -7.972 -2.001 1.00 0.00 O ATOM 771 OD2 ASP A 55 169.871 -6.898 -3.860 1.00 0.00 O ATOM 0 H ASP A 55 172.500 -6.657 -3.094 1.00 0.00 H new ATOM 0 HA ASP A 55 172.141 -4.446 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 55 169.802 -5.480 -1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.290 -4.780 -2.659 1.00 0.00 H new ATOM 776 N ILE A 56 172.093 -5.672 0.961 1.00 0.00 N ATOM 777 CA ILE A 56 172.250 -6.370 2.233 1.00 0.00 C ATOM 778 C ILE A 56 170.997 -6.239 3.092 1.00 0.00 C ATOM 779 O ILE A 56 170.290 -5.233 3.030 1.00 0.00 O ATOM 780 CB ILE A 56 173.461 -5.839 3.026 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.676 -5.696 2.108 1.00 0.00 C ATOM 782 CG2 ILE A 56 173.776 -6.764 4.192 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.901 -5.149 2.808 1.00 0.00 C ATOM 0 H ILE A 56 171.983 -4.661 1.044 1.00 0.00 H new ATOM 0 HA ILE A 56 172.416 -7.421 1.995 1.00 0.00 H new ATOM 0 HB ILE A 56 173.214 -4.855 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 174.916 -6.670 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.418 -5.039 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.633 -6.376 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 56 172.913 -6.819 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.008 -7.760 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.724 -5.074 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.679 -4.161 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.184 -5.817 3.621 1.00 0.00 H new ATOM 795 N THR A 57 170.727 -7.263 3.897 1.00 0.00 N ATOM 796 CA THR A 57 169.560 -7.264 4.771 1.00 0.00 C ATOM 797 C THR A 57 169.909 -7.812 6.153 1.00 0.00 C ATOM 798 O THR A 57 169.034 -8.279 6.883 1.00 0.00 O ATOM 799 CB THR A 57 168.436 -8.095 4.153 1.00 0.00 C ATOM 800 OG1 THR A 57 168.883 -9.409 3.865 1.00 0.00 O ATOM 801 CG2 THR A 57 167.893 -7.506 2.868 1.00 0.00 C ATOM 0 H THR A 57 171.302 -8.103 3.961 1.00 0.00 H new ATOM 0 HA THR A 57 169.224 -6.233 4.884 1.00 0.00 H new ATOM 0 HB THR A 57 167.640 -8.102 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.149 -9.925 3.472 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.098 -8.145 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 57 167.495 -6.510 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 57 168.694 -7.438 2.132 1.00 0.00 H new ATOM 809 N LYS A 58 171.190 -7.754 6.506 1.00 0.00 N ATOM 810 CA LYS A 58 171.649 -8.245 7.798 1.00 0.00 C ATOM 811 C LYS A 58 172.821 -7.411 8.309 1.00 0.00 C ATOM 812 O LYS A 58 173.980 -7.734 8.054 1.00 0.00 O ATOM 813 CB LYS A 58 172.061 -9.714 7.692 1.00 0.00 C ATOM 814 CG LYS A 58 170.902 -10.684 7.855 1.00 0.00 C ATOM 815 CD LYS A 58 170.781 -11.171 9.291 1.00 0.00 C ATOM 816 CE LYS A 58 169.669 -10.448 10.033 1.00 0.00 C ATOM 817 NZ LYS A 58 169.443 -11.019 11.389 1.00 0.00 N ATOM 0 H LYS A 58 171.927 -7.371 5.914 1.00 0.00 H new ATOM 0 HA LYS A 58 170.826 -8.157 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 58 172.531 -9.882 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 58 172.813 -9.928 8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 58 169.974 -10.197 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 58 171.044 -11.537 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 58 170.586 -12.243 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 171.727 -11.016 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 58 169.919 -9.391 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 58 168.747 -10.510 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 168.677 -10.498 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 169.179 -12.021 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 170.315 -10.937 11.950 1.00 0.00 H new ATOM 831 N PRO A 59 172.532 -6.321 9.040 1.00 0.00 N ATOM 832 CA PRO A 59 173.568 -5.439 9.586 1.00 0.00 C ATOM 833 C PRO A 59 174.624 -6.196 10.378 1.00 0.00 C ATOM 834 O PRO A 59 174.475 -7.385 10.662 1.00 0.00 O ATOM 835 CB PRO A 59 172.794 -4.506 10.517 1.00 0.00 C ATOM 836 CG PRO A 59 171.409 -4.491 9.971 1.00 0.00 C ATOM 837 CD PRO A 59 171.174 -5.860 9.392 1.00 0.00 C ATOM 0 HA PRO A 59 174.112 -4.927 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.811 -4.869 11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.227 -3.506 10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.684 -4.269 10.754 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.299 -3.721 9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.698 -6.525 10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.524 -5.820 8.518 1.00 0.00 H new ATOM 845 N LYS A 60 175.681 -5.488 10.749 1.00 0.00 N ATOM 846 CA LYS A 60 176.762 -6.071 11.532 1.00 0.00 C ATOM 847 C LYS A 60 176.708 -5.537 12.957 1.00 0.00 C ATOM 848 O LYS A 60 177.736 -5.241 13.566 1.00 0.00 O ATOM 849 CB LYS A 60 178.118 -5.758 10.895 1.00 0.00 C ATOM 850 CG LYS A 60 179.089 -6.928 10.926 1.00 0.00 C ATOM 851 CD LYS A 60 179.327 -7.419 12.345 1.00 0.00 C ATOM 852 CE LYS A 60 180.363 -6.570 13.063 1.00 0.00 C ATOM 853 NZ LYS A 60 181.690 -7.244 13.122 1.00 0.00 N ATOM 0 H LYS A 60 175.814 -4.503 10.519 1.00 0.00 H new ATOM 0 HA LYS A 60 176.639 -7.154 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.962 -5.453 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.567 -4.910 11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 60 178.696 -7.744 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 60 180.037 -6.627 10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 60 178.389 -7.397 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.659 -8.457 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 60 180.465 -5.612 12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 60 180.019 -6.356 14.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 182.368 -6.632 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 181.599 -8.146 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 182.031 -7.425 12.156 1.00 0.00 H new ATOM 867 N GLU A 61 175.487 -5.414 13.468 1.00 0.00 N ATOM 868 CA GLU A 61 175.242 -4.913 14.817 1.00 0.00 C ATOM 869 C GLU A 61 175.457 -3.413 14.899 1.00 0.00 C ATOM 870 O GLU A 61 176.558 -2.940 15.179 1.00 0.00 O ATOM 871 CB GLU A 61 176.113 -5.642 15.848 1.00 0.00 C ATOM 872 CG GLU A 61 175.341 -6.631 16.705 1.00 0.00 C ATOM 873 CD GLU A 61 176.246 -7.616 17.418 1.00 0.00 C ATOM 874 OE1 GLU A 61 177.071 -7.174 18.244 1.00 0.00 O ATOM 875 OE2 GLU A 61 176.128 -8.831 17.150 1.00 0.00 O ATOM 0 H GLU A 61 174.638 -5.659 12.958 1.00 0.00 H new ATOM 0 HA GLU A 61 174.197 -5.115 15.053 1.00 0.00 H new ATOM 0 HB2 GLU A 61 176.912 -6.171 15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 176.588 -4.905 16.496 1.00 0.00 H new ATOM 0 HG2 GLU A 61 174.752 -6.085 17.442 1.00 0.00 H new ATOM 0 HG3 GLU A 61 174.638 -7.178 16.077 1.00 0.00 H new ATOM 882 N GLY A 62 174.384 -2.671 14.642 1.00 0.00 N ATOM 883 CA GLY A 62 174.452 -1.228 14.676 1.00 0.00 C ATOM 884 C GLY A 62 175.204 -0.664 13.491 1.00 0.00 C ATOM 885 O GLY A 62 175.270 0.553 13.314 1.00 0.00 O ATOM 0 H GLY A 62 173.466 -3.050 14.410 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.442 -0.819 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.939 -0.910 15.598 1.00 0.00 H new ATOM 889 N ARG A 63 175.774 -1.546 12.671 1.00 0.00 N ATOM 890 CA ARG A 63 176.523 -1.103 11.500 1.00 0.00 C ATOM 891 C ARG A 63 176.610 -2.196 10.443 1.00 0.00 C ATOM 892 O ARG A 63 176.954 -3.334 10.753 1.00 0.00 O ATOM 893 CB ARG A 63 177.932 -0.665 11.909 1.00 0.00 C ATOM 894 CG ARG A 63 178.109 0.842 11.970 1.00 0.00 C ATOM 895 CD ARG A 63 179.456 1.220 12.565 1.00 0.00 C ATOM 896 NE ARG A 63 180.569 0.663 11.802 1.00 0.00 N ATOM 897 CZ ARG A 63 181.818 1.118 11.871 1.00 0.00 C ATOM 898 NH1 ARG A 63 182.117 2.139 12.665 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.771 0.551 11.144 1.00 0.00 N ATOM 0 H ARG A 63 175.732 -2.558 12.794 1.00 0.00 H new ATOM 0 HA ARG A 63 175.989 -0.257 11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.166 -1.089 12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.651 -1.078 11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.022 1.261 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 63 177.310 1.280 12.568 1.00 0.00 H new ATOM 0 HD2 ARG A 63 179.546 2.306 12.597 1.00 0.00 H new ATOM 0 HD3 ARG A 63 179.509 0.866 13.594 1.00 0.00 H new ATOM 0 HE ARG A 63 180.378 -0.122 11.179 1.00 0.00 H new ATOM 0 HH11 ARG A 63 181.388 2.579 13.226 1.00 0.00 H new ATOM 0 HH12 ARG A 63 183.076 2.483 12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 63 182.547 -0.234 10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 63 183.728 0.900 11.197 1.00 0.00 H new ATOM 913 N TRP A 64 176.333 -1.851 9.186 1.00 0.00 N ATOM 914 CA TRP A 64 176.424 -2.819 8.110 1.00 0.00 C ATOM 915 C TRP A 64 177.872 -2.954 7.658 1.00 0.00 C ATOM 916 O TRP A 64 178.678 -2.041 7.850 1.00 0.00 O ATOM 917 CB TRP A 64 175.556 -2.411 6.923 1.00 0.00 C ATOM 918 CG TRP A 64 174.141 -2.056 7.281 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.722 -0.997 8.032 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.956 -2.763 6.888 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.352 -1.002 8.130 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.859 -2.076 7.438 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.716 -3.911 6.126 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.543 -2.495 7.249 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.408 -4.327 5.940 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.336 -3.619 6.500 1.00 0.00 C ATOM 0 H TRP A 64 176.047 -0.916 8.896 1.00 0.00 H new ATOM 0 HA TRP A 64 176.063 -3.776 8.486 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.018 -1.557 6.428 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.541 -3.228 6.202 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.372 -0.262 8.483 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.792 -0.316 8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.536 -4.463 5.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.716 -1.950 7.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.211 -5.212 5.353 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.327 -3.968 6.336 1.00 0.00 H new ATOM 937 N THR A 65 178.193 -4.090 7.060 1.00 0.00 N ATOM 938 CA THR A 65 179.547 -4.343 6.585 1.00 0.00 C ATOM 939 C THR A 65 179.542 -4.933 5.180 1.00 0.00 C ATOM 940 O THR A 65 178.995 -6.012 4.948 1.00 0.00 O ATOM 941 CB THR A 65 180.281 -5.287 7.540 1.00 0.00 C ATOM 942 OG1 THR A 65 179.857 -5.079 8.875 1.00 0.00 O ATOM 943 CG2 THR A 65 181.785 -5.121 7.508 1.00 0.00 C ATOM 0 H THR A 65 177.536 -4.852 6.891 1.00 0.00 H new ATOM 0 HA THR A 65 180.069 -3.387 6.553 1.00 0.00 H new ATOM 0 HB THR A 65 180.034 -6.292 7.198 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.638 -4.926 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.243 -5.820 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 65 182.152 -5.322 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.045 -4.101 7.791 1.00 0.00 H new ATOM 951 N PHE A 66 180.162 -4.222 4.248 1.00 0.00 N ATOM 952 CA PHE A 66 180.243 -4.675 2.864 1.00 0.00 C ATOM 953 C PHE A 66 181.685 -5.011 2.495 1.00 0.00 C ATOM 954 O PHE A 66 182.432 -4.153 2.025 1.00 0.00 O ATOM 955 CB PHE A 66 179.694 -3.605 1.917 1.00 0.00 C ATOM 956 CG PHE A 66 179.343 -4.126 0.553 1.00 0.00 C ATOM 957 CD1 PHE A 66 180.324 -4.642 -0.279 1.00 0.00 C ATOM 958 CD2 PHE A 66 178.034 -4.097 0.104 1.00 0.00 C ATOM 959 CE1 PHE A 66 180.004 -5.120 -1.535 1.00 0.00 C ATOM 960 CE2 PHE A 66 177.709 -4.574 -1.151 1.00 0.00 C ATOM 961 CZ PHE A 66 178.696 -5.086 -1.972 1.00 0.00 C ATOM 0 H PHE A 66 180.618 -3.327 4.425 1.00 0.00 H new ATOM 0 HA PHE A 66 179.637 -5.576 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.806 -3.158 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 66 180.433 -2.811 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 66 181.350 -4.671 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 66 177.259 -3.697 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 66 180.777 -5.520 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 66 176.684 -4.547 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 66 178.444 -5.459 -2.954 1.00 0.00 H new ATOM 971 N ARG A 67 182.073 -6.263 2.718 1.00 0.00 N ATOM 972 CA ARG A 67 183.428 -6.710 2.416 1.00 0.00 C ATOM 973 C ARG A 67 183.460 -7.550 1.144 1.00 0.00 C ATOM 974 O ARG A 67 182.500 -8.248 0.821 1.00 0.00 O ATOM 975 CB ARG A 67 183.993 -7.520 3.585 1.00 0.00 C ATOM 976 CG ARG A 67 184.015 -6.756 4.900 1.00 0.00 C ATOM 977 CD ARG A 67 183.194 -7.460 5.970 1.00 0.00 C ATOM 978 NE ARG A 67 183.570 -8.864 6.115 1.00 0.00 N ATOM 979 CZ ARG A 67 184.580 -9.289 6.871 1.00 0.00 C ATOM 980 NH1 ARG A 67 185.325 -8.423 7.547 1.00 0.00 N ATOM 981 NH2 ARG A 67 184.848 -10.585 6.951 1.00 0.00 N ATOM 0 H ARG A 67 181.468 -6.986 3.107 1.00 0.00 H new ATOM 0 HA ARG A 67 184.045 -5.825 2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 67 183.399 -8.425 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 67 185.007 -7.836 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 67 185.044 -6.649 5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 67 183.625 -5.750 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 67 183.327 -6.949 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 67 182.136 -7.393 5.717 1.00 0.00 H new ATOM 0 HE ARG A 67 183.026 -9.561 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 67 185.125 -7.424 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 67 186.097 -8.756 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 67 184.280 -11.256 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 67 185.622 -10.911 7.530 1.00 0.00 H new ATOM 995 N ASP A 68 184.577 -7.479 0.430 1.00 0.00 N ATOM 996 CA ASP A 68 184.751 -8.234 -0.805 1.00 0.00 C ATOM 997 C ASP A 68 186.148 -8.831 -0.880 1.00 0.00 C ATOM 998 O ASP A 68 187.140 -8.107 -0.942 1.00 0.00 O ATOM 999 CB ASP A 68 184.501 -7.337 -2.019 1.00 0.00 C ATOM 1000 CG ASP A 68 183.132 -6.687 -1.985 1.00 0.00 C ATOM 1001 OD1 ASP A 68 182.883 -5.876 -1.069 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.310 -6.988 -2.876 1.00 0.00 O ATOM 0 H ASP A 68 185.379 -6.904 0.687 1.00 0.00 H new ATOM 0 HA ASP A 68 184.025 -9.047 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 68 185.267 -6.563 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.597 -7.928 -2.930 1.00 0.00 H new ATOM 1007 N ARG A 69 186.219 -10.159 -0.872 1.00 0.00 N ATOM 1008 CA ARG A 69 187.498 -10.857 -0.940 1.00 0.00 C ATOM 1009 C ARG A 69 187.909 -11.114 -2.388 1.00 0.00 C ATOM 1010 O ARG A 69 188.708 -12.009 -2.666 1.00 0.00 O ATOM 1011 CB ARG A 69 187.420 -12.182 -0.178 1.00 0.00 C ATOM 1012 CG ARG A 69 187.691 -12.044 1.312 1.00 0.00 C ATOM 1013 CD ARG A 69 186.424 -12.230 2.132 1.00 0.00 C ATOM 1014 NE ARG A 69 186.673 -12.971 3.367 1.00 0.00 N ATOM 1015 CZ ARG A 69 185.791 -13.078 4.359 1.00 0.00 C ATOM 1016 NH1 ARG A 69 184.602 -12.495 4.265 1.00 0.00 N ATOM 1017 NH2 ARG A 69 186.098 -13.772 5.446 1.00 0.00 N ATOM 0 H ARG A 69 185.406 -10.773 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 69 188.252 -10.221 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.430 -12.616 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.139 -12.881 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 69 188.434 -12.781 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 69 188.116 -11.061 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 69 186.003 -11.254 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 69 185.681 -12.759 1.536 1.00 0.00 H new ATOM 0 HE ARG A 69 187.576 -13.433 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 69 184.360 -11.962 3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 69 183.930 -12.580 5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 69 187.009 -14.224 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 69 185.423 -13.854 6.206 1.00 0.00 H new ATOM 1031 N ASN A 70 187.358 -10.326 -3.310 1.00 0.00 N ATOM 1032 CA ASN A 70 187.672 -10.473 -4.725 1.00 0.00 C ATOM 1033 C ASN A 70 187.679 -9.118 -5.427 1.00 0.00 C ATOM 1034 O ASN A 70 187.430 -9.028 -6.628 1.00 0.00 O ATOM 1035 CB ASN A 70 186.661 -11.402 -5.400 1.00 0.00 C ATOM 1036 CG ASN A 70 187.046 -12.864 -5.276 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.309 -13.664 -4.699 1.00 0.00 O ATOM 1038 ND2 ASN A 70 188.205 -13.220 -5.817 1.00 0.00 N ATOM 0 H ASN A 70 186.693 -9.581 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 70 188.668 -10.909 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.678 -11.249 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 70 186.578 -11.139 -6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 70 188.516 -14.190 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 70 188.784 -12.524 -6.286 1.00 0.00 H new ATOM 1045 N ALA A 71 187.966 -8.064 -4.667 1.00 0.00 N ATOM 1046 CA ALA A 71 188.006 -6.715 -5.217 1.00 0.00 C ATOM 1047 C ALA A 71 189.384 -6.400 -5.790 1.00 0.00 C ATOM 1048 O ALA A 71 190.391 -6.471 -5.087 1.00 0.00 O ATOM 1049 CB ALA A 71 187.631 -5.699 -4.148 1.00 0.00 C ATOM 0 H ALA A 71 188.174 -8.120 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 71 187.281 -6.656 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.665 -4.695 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.624 -5.906 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.335 -5.766 -3.319 1.00 0.00 H new ATOM 1055 N LYS A 72 189.420 -6.054 -7.074 1.00 0.00 N ATOM 1056 CA LYS A 72 190.675 -5.731 -7.742 1.00 0.00 C ATOM 1057 C LYS A 72 191.060 -4.274 -7.505 1.00 0.00 C ATOM 1058 O LYS A 72 190.917 -3.433 -8.392 1.00 0.00 O ATOM 1059 CB LYS A 72 190.562 -6.005 -9.241 1.00 0.00 C ATOM 1060 CG LYS A 72 191.907 -6.158 -9.933 1.00 0.00 C ATOM 1061 CD LYS A 72 191.850 -7.202 -11.037 1.00 0.00 C ATOM 1062 CE LYS A 72 192.267 -8.572 -10.528 1.00 0.00 C ATOM 1063 NZ LYS A 72 193.732 -8.645 -10.263 1.00 0.00 N ATOM 0 H LYS A 72 188.595 -5.990 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 72 191.456 -6.365 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 72 189.979 -6.913 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 190.011 -5.190 -9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 72 192.213 -5.200 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 72 192.664 -6.441 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 72 190.838 -7.254 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 72 192.503 -6.903 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 72 191.721 -8.801 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 72 191.993 -9.331 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 194.030 -9.641 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 194.247 -8.152 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 193.943 -8.193 -9.350 1.00 0.00 H new ATOM 1077 N LEU A 73 191.555 -3.986 -6.307 1.00 0.00 N ATOM 1078 CA LEU A 73 191.967 -2.632 -5.955 1.00 0.00 C ATOM 1079 C LEU A 73 193.486 -2.508 -5.991 1.00 0.00 C ATOM 1080 O LEU A 73 194.199 -3.353 -5.450 1.00 0.00 O ATOM 1081 CB LEU A 73 191.442 -2.263 -4.566 1.00 0.00 C ATOM 1082 CG LEU A 73 189.994 -2.671 -4.293 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.812 -3.057 -2.834 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.044 -1.545 -4.672 1.00 0.00 C ATOM 0 H LEU A 73 191.681 -4.672 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 73 191.545 -1.943 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.082 -2.729 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.531 -1.184 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 73 189.760 -3.540 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.775 -3.344 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.466 -3.896 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.065 -2.208 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.018 -1.852 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.279 -0.658 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.154 -1.318 -5.732 1.00 0.00 H new ATOM 1096 N LYS A 74 193.980 -1.457 -6.640 1.00 0.00 N ATOM 1097 CA LYS A 74 195.417 -1.240 -6.750 1.00 0.00 C ATOM 1098 C LYS A 74 195.824 0.118 -6.184 1.00 0.00 C ATOM 1099 O LYS A 74 195.036 1.063 -6.175 1.00 0.00 O ATOM 1100 CB LYS A 74 195.856 -1.346 -8.212 1.00 0.00 C ATOM 1101 CG LYS A 74 196.267 -2.750 -8.624 1.00 0.00 C ATOM 1102 CD LYS A 74 196.900 -2.764 -10.007 1.00 0.00 C ATOM 1103 CE LYS A 74 196.424 -3.951 -10.825 1.00 0.00 C ATOM 1104 NZ LYS A 74 196.297 -3.615 -12.271 1.00 0.00 N ATOM 0 H LYS A 74 193.408 -0.746 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 74 195.915 -2.013 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 74 195.040 -1.013 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.692 -0.667 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 74 196.972 -3.152 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 74 195.394 -3.403 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 74 196.655 -1.839 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 74 197.985 -2.799 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 74 197.123 -4.778 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 74 195.460 -4.290 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 195.970 -4.452 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 195.611 -2.843 -12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 197.222 -3.316 -12.640 1.00 0.00 H new ATOM 1118 N LEU A 75 197.066 0.198 -5.718 1.00 0.00 N ATOM 1119 CA LEU A 75 197.605 1.428 -5.145 1.00 0.00 C ATOM 1120 C LEU A 75 197.454 2.600 -6.108 1.00 0.00 C ATOM 1121 O LEU A 75 197.791 2.497 -7.287 1.00 0.00 O ATOM 1122 CB LEU A 75 199.086 1.228 -4.796 1.00 0.00 C ATOM 1123 CG LEU A 75 199.552 1.832 -3.469 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.524 3.351 -3.528 1.00 0.00 C ATOM 1125 CD2 LEU A 75 198.699 1.320 -2.319 1.00 0.00 C ATOM 0 H LEU A 75 197.724 -0.581 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 75 197.041 1.659 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.293 0.158 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.688 1.655 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 75 200.582 1.520 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.859 3.758 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 75 200.185 3.697 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 75 198.507 3.689 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.046 1.761 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 75 197.658 1.597 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.781 0.235 -2.261 1.00 0.00 H new ATOM 1137 N GLY A 76 196.946 3.715 -5.594 1.00 0.00 N ATOM 1138 CA GLY A 76 196.762 4.892 -6.417 1.00 0.00 C ATOM 1139 C GLY A 76 195.369 4.974 -7.006 1.00 0.00 C ATOM 1140 O GLY A 76 194.875 6.063 -7.300 1.00 0.00 O ATOM 0 H GLY A 76 196.659 3.823 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 76 196.954 5.783 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.495 4.886 -7.224 1.00 0.00 H new ATOM 1144 N ASP A 77 194.740 3.819 -7.185 1.00 0.00 N ATOM 1145 CA ASP A 77 193.404 3.760 -7.747 1.00 0.00 C ATOM 1146 C ASP A 77 192.421 4.578 -6.914 1.00 0.00 C ATOM 1147 O ASP A 77 192.580 4.716 -5.698 1.00 0.00 O ATOM 1148 CB ASP A 77 192.933 2.309 -7.840 1.00 0.00 C ATOM 1149 CG ASP A 77 191.666 2.161 -8.661 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.639 2.758 -8.280 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.702 1.448 -9.686 1.00 0.00 O ATOM 0 H ASP A 77 195.138 2.910 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 77 193.440 4.188 -8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.722 1.702 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.759 1.922 -6.836 1.00 0.00 H new ATOM 1156 N LYS A 78 191.404 5.115 -7.580 1.00 0.00 N ATOM 1157 CA LYS A 78 190.387 5.918 -6.913 1.00 0.00 C ATOM 1158 C LYS A 78 189.041 5.198 -6.931 1.00 0.00 C ATOM 1159 O LYS A 78 188.750 4.422 -7.841 1.00 0.00 O ATOM 1160 CB LYS A 78 190.262 7.286 -7.584 1.00 0.00 C ATOM 1161 CG LYS A 78 189.809 8.388 -6.639 1.00 0.00 C ATOM 1162 CD LYS A 78 190.061 9.768 -7.229 1.00 0.00 C ATOM 1163 CE LYS A 78 191.378 10.351 -6.743 1.00 0.00 C ATOM 1164 NZ LYS A 78 192.495 10.054 -7.680 1.00 0.00 N ATOM 0 H LYS A 78 191.263 5.008 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 78 190.690 6.064 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.226 7.560 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.554 7.213 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.747 8.271 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 78 190.337 8.295 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 78 190.070 9.703 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 78 189.244 10.436 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 78 191.277 11.430 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 78 191.613 9.947 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 193.243 9.537 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 192.143 9.472 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 192.881 10.945 -8.053 1.00 0.00 H new ATOM 1178 N ILE A 79 188.238 5.450 -5.908 1.00 0.00 N ATOM 1179 CA ILE A 79 186.927 4.821 -5.780 1.00 0.00 C ATOM 1180 C ILE A 79 185.783 5.814 -6.012 1.00 0.00 C ATOM 1181 O ILE A 79 185.896 6.995 -5.691 1.00 0.00 O ATOM 1182 CB ILE A 79 186.770 4.105 -4.422 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.377 2.706 -4.515 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.309 4.015 -4.002 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.824 2.643 -4.080 1.00 0.00 C ATOM 0 H ILE A 79 188.471 6.090 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 79 186.866 4.068 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 79 187.295 4.687 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.791 2.023 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 79 187.300 2.353 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.237 3.505 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 79 184.894 5.019 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.749 3.457 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 79 189.188 1.620 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 79 189.423 3.300 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 79 188.906 2.964 -3.042 1.00 0.00 H new ATOM 1197 N TYR A 80 184.676 5.305 -6.545 1.00 0.00 N ATOM 1198 CA TYR A 80 183.487 6.113 -6.797 1.00 0.00 C ATOM 1199 C TYR A 80 182.244 5.266 -6.545 1.00 0.00 C ATOM 1200 O TYR A 80 182.115 4.180 -7.112 1.00 0.00 O ATOM 1201 CB TYR A 80 183.486 6.637 -8.236 1.00 0.00 C ATOM 1202 CG TYR A 80 184.535 7.694 -8.498 1.00 0.00 C ATOM 1203 CD1 TYR A 80 185.831 7.341 -8.853 1.00 0.00 C ATOM 1204 CD2 TYR A 80 184.229 9.045 -8.389 1.00 0.00 C ATOM 1205 CE1 TYR A 80 186.793 8.303 -9.093 1.00 0.00 C ATOM 1206 CE2 TYR A 80 185.185 10.014 -8.629 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.465 9.638 -8.980 1.00 0.00 C ATOM 1208 OH TYR A 80 187.420 10.600 -9.218 1.00 0.00 O ATOM 0 H TYR A 80 184.578 4.326 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 80 183.488 6.971 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.646 5.802 -8.918 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.503 7.049 -8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 80 186.091 6.297 -8.943 1.00 0.00 H new ATOM 0 HD2 TYR A 80 183.228 9.343 -8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 80 187.796 8.011 -9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 80 184.931 11.060 -8.542 1.00 0.00 H new ATOM 0 HH TYR A 80 187.026 11.489 -9.097 1.00 0.00 H new ATOM 1218 N PHE A 81 181.335 5.732 -5.686 1.00 0.00 N ATOM 1219 CA PHE A 81 180.141 4.941 -5.392 1.00 0.00 C ATOM 1220 C PHE A 81 179.010 5.751 -4.782 1.00 0.00 C ATOM 1221 O PHE A 81 179.085 6.972 -4.635 1.00 0.00 O ATOM 1222 CB PHE A 81 180.490 3.808 -4.425 1.00 0.00 C ATOM 1223 CG PHE A 81 181.255 4.259 -3.213 1.00 0.00 C ATOM 1224 CD1 PHE A 81 180.682 5.133 -2.302 1.00 0.00 C ATOM 1225 CD2 PHE A 81 182.544 3.808 -2.982 1.00 0.00 C ATOM 1226 CE1 PHE A 81 181.380 5.549 -1.184 1.00 0.00 C ATOM 1227 CE2 PHE A 81 183.247 4.223 -1.865 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.664 5.093 -0.966 1.00 0.00 C ATOM 0 H PHE A 81 181.398 6.624 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 81 179.795 4.556 -6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.569 3.322 -4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.077 3.058 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 81 179.678 5.493 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 81 183.005 3.126 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 81 180.921 6.230 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 81 184.252 3.866 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 81 183.212 5.416 -0.093 1.00 0.00 H new ATOM 1238 N TRP A 82 177.972 5.014 -4.406 1.00 0.00 N ATOM 1239 CA TRP A 82 176.789 5.569 -3.767 1.00 0.00 C ATOM 1240 C TRP A 82 176.074 4.467 -2.996 1.00 0.00 C ATOM 1241 O TRP A 82 175.907 3.357 -3.504 1.00 0.00 O ATOM 1242 CB TRP A 82 175.852 6.215 -4.794 1.00 0.00 C ATOM 1243 CG TRP A 82 175.238 5.254 -5.763 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.807 4.763 -6.899 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.927 4.683 -5.689 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.932 3.922 -7.540 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.772 3.853 -6.815 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.869 4.789 -4.781 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.603 3.137 -7.057 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.710 4.077 -5.021 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.585 3.260 -6.151 1.00 0.00 C ATOM 0 H TRP A 82 177.929 4.004 -4.538 1.00 0.00 H new ATOM 0 HA TRP A 82 177.096 6.353 -3.075 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.055 6.736 -4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.408 6.968 -5.352 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.802 5.001 -7.245 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.116 3.429 -8.414 1.00 0.00 H new ATOM 0 HE3 TRP A 82 172.957 5.417 -3.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.503 2.507 -7.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 170.887 4.152 -4.326 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.666 2.716 -6.311 1.00 0.00 H new ATOM 1262 N THR A 83 175.671 4.757 -1.762 1.00 0.00 N ATOM 1263 CA THR A 83 174.999 3.752 -0.936 1.00 0.00 C ATOM 1264 C THR A 83 173.494 3.950 -0.950 1.00 0.00 C ATOM 1265 O THR A 83 173.015 5.013 -1.314 1.00 0.00 O ATOM 1266 CB THR A 83 175.515 3.808 0.502 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.485 5.135 0.995 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.930 3.293 0.650 1.00 0.00 C ATOM 0 H THR A 83 175.794 5.665 -1.315 1.00 0.00 H new ATOM 0 HA THR A 83 175.223 2.772 -1.358 1.00 0.00 H new ATOM 0 HB THR A 83 174.849 3.161 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 83 175.817 5.149 1.917 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.234 3.361 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.975 2.253 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.602 3.894 0.037 1.00 0.00 H new ATOM 1276 N TYR A 84 172.750 2.919 -0.560 1.00 0.00 N ATOM 1277 CA TYR A 84 171.298 2.993 -0.541 1.00 0.00 C ATOM 1278 C TYR A 84 170.729 2.212 0.641 1.00 0.00 C ATOM 1279 O TYR A 84 170.712 0.984 0.630 1.00 0.00 O ATOM 1280 CB TYR A 84 170.744 2.439 -1.852 1.00 0.00 C ATOM 1281 CG TYR A 84 169.234 2.445 -1.934 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.506 3.584 -1.618 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.538 1.310 -2.334 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.125 3.593 -1.696 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.159 1.313 -2.417 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.458 2.455 -2.097 1.00 0.00 C ATOM 1287 OH TYR A 84 165.084 2.460 -2.176 1.00 0.00 O ATOM 0 H TYR A 84 173.131 2.024 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 84 171.001 4.036 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.145 3.024 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.100 1.417 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.026 4.478 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.084 0.412 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.573 4.486 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.633 0.424 -2.731 1.00 0.00 H new ATOM 0 HH TYR A 84 164.770 1.581 -2.475 1.00 0.00 H new ATOM 1297 N VAL A 85 170.259 2.927 1.657 1.00 0.00 N ATOM 1298 CA VAL A 85 169.688 2.283 2.837 1.00 0.00 C ATOM 1299 C VAL A 85 168.162 2.349 2.793 1.00 0.00 C ATOM 1300 O VAL A 85 167.592 3.125 2.028 1.00 0.00 O ATOM 1301 CB VAL A 85 170.218 2.908 4.168 1.00 0.00 C ATOM 1302 CG1 VAL A 85 171.059 4.147 3.904 1.00 0.00 C ATOM 1303 CG2 VAL A 85 169.089 3.250 5.137 1.00 0.00 C ATOM 0 H VAL A 85 170.261 3.946 1.689 1.00 0.00 H new ATOM 0 HA VAL A 85 170.005 1.240 2.820 1.00 0.00 H new ATOM 0 HB VAL A 85 170.844 2.147 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.411 4.556 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.914 3.881 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.455 4.894 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.508 3.681 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.415 3.969 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.537 2.344 5.386 1.00 0.00 H new ATOM 1313 N ILE A 86 167.508 1.538 3.621 1.00 0.00 N ATOM 1314 CA ILE A 86 166.050 1.516 3.686 1.00 0.00 C ATOM 1315 C ILE A 86 165.575 1.368 5.119 1.00 0.00 C ATOM 1316 O ILE A 86 165.675 0.290 5.697 1.00 0.00 O ATOM 1317 CB ILE A 86 165.446 0.366 2.863 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.026 0.363 1.458 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.928 0.477 2.818 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.636 1.565 0.635 1.00 0.00 C ATOM 0 H ILE A 86 167.967 0.886 4.258 1.00 0.00 H new ATOM 0 HA ILE A 86 165.715 2.466 3.269 1.00 0.00 H new ATOM 0 HB ILE A 86 165.702 -0.577 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.113 0.317 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.699 -0.540 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.520 -0.346 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.530 0.432 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.646 1.425 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.088 1.491 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.551 1.602 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.987 2.472 1.127 1.00 0.00 H new ATOM 1332 N LYS A 87 165.058 2.453 5.674 1.00 0.00 N ATOM 1333 CA LYS A 87 164.557 2.455 7.044 1.00 0.00 C ATOM 1334 C LYS A 87 163.032 2.388 7.058 1.00 0.00 C ATOM 1335 O LYS A 87 162.359 3.383 7.334 1.00 0.00 O ATOM 1336 CB LYS A 87 165.034 3.709 7.779 1.00 0.00 C ATOM 1337 CG LYS A 87 165.232 3.503 9.272 1.00 0.00 C ATOM 1338 CD LYS A 87 163.924 3.636 10.033 1.00 0.00 C ATOM 1339 CE LYS A 87 163.628 5.086 10.382 1.00 0.00 C ATOM 1340 NZ LYS A 87 162.330 5.232 11.098 1.00 0.00 N ATOM 0 H LYS A 87 164.973 3.350 5.195 1.00 0.00 H new ATOM 0 HA LYS A 87 164.948 1.575 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.974 4.042 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.309 4.508 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 87 165.659 2.516 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.949 4.233 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 87 163.109 3.232 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.971 3.043 10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 87 164.432 5.481 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 87 163.608 5.682 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 162.166 6.235 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 161.559 4.879 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 162.357 4.684 11.982 1.00 0.00 H new ATOM 1354 N ASP A 88 162.492 1.211 6.755 1.00 0.00 N ATOM 1355 CA ASP A 88 161.047 1.015 6.732 1.00 0.00 C ATOM 1356 C ASP A 88 160.385 1.986 5.755 1.00 0.00 C ATOM 1357 O ASP A 88 159.577 2.828 6.149 1.00 0.00 O ATOM 1358 CB ASP A 88 160.463 1.202 8.136 1.00 0.00 C ATOM 1359 CG ASP A 88 159.091 0.573 8.282 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.886 -0.534 7.742 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.224 1.188 8.938 1.00 0.00 O ATOM 0 H ASP A 88 163.034 0.379 6.522 1.00 0.00 H new ATOM 0 HA ASP A 88 160.846 -0.003 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.140 0.764 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.397 2.267 8.360 1.00 0.00 H new ATOM 1366 N GLY A 89 160.737 1.863 4.480 1.00 0.00 N ATOM 1367 CA GLY A 89 160.172 2.737 3.467 1.00 0.00 C ATOM 1368 C GLY A 89 160.726 4.147 3.552 1.00 0.00 C ATOM 1369 O GLY A 89 160.035 5.113 3.230 1.00 0.00 O ATOM 0 H GLY A 89 161.403 1.175 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.379 2.326 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 89 159.088 2.767 3.579 1.00 0.00 H new ATOM 1373 N LEU A 90 161.978 4.260 3.986 1.00 0.00 N ATOM 1374 CA LEU A 90 162.634 5.558 4.119 1.00 0.00 C ATOM 1375 C LEU A 90 164.094 5.450 3.724 1.00 0.00 C ATOM 1376 O LEU A 90 164.990 5.504 4.567 1.00 0.00 O ATOM 1377 CB LEU A 90 162.511 6.067 5.552 1.00 0.00 C ATOM 1378 CG LEU A 90 161.166 5.781 6.207 1.00 0.00 C ATOM 1379 CD1 LEU A 90 161.216 6.085 7.696 1.00 0.00 C ATOM 1380 CD2 LEU A 90 160.072 6.588 5.526 1.00 0.00 C ATOM 0 H LEU A 90 162.560 3.466 4.252 1.00 0.00 H new ATOM 0 HA LEU A 90 162.143 6.268 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 163.299 5.614 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.683 7.143 5.559 1.00 0.00 H new ATOM 0 HG LEU A 90 160.939 4.721 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 90 160.245 5.874 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.976 5.463 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 90 161.463 7.136 7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 90 159.114 6.376 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 90 160.295 7.651 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 90 160.022 6.316 4.472 1.00 0.00 H new ATOM 1392 N GLY A 91 164.322 5.264 2.434 1.00 0.00 N ATOM 1393 CA GLY A 91 165.664 5.112 1.936 1.00 0.00 C ATOM 1394 C GLY A 91 166.437 6.410 1.816 1.00 0.00 C ATOM 1395 O GLY A 91 165.863 7.493 1.712 1.00 0.00 O ATOM 0 H GLY A 91 163.593 5.216 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.210 4.438 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.623 4.635 0.957 1.00 0.00 H new ATOM 1399 N TYR A 92 167.754 6.267 1.814 1.00 0.00 N ATOM 1400 CA TYR A 92 168.679 7.388 1.688 1.00 0.00 C ATOM 1401 C TYR A 92 169.969 6.886 1.051 1.00 0.00 C ATOM 1402 O TYR A 92 170.380 5.753 1.305 1.00 0.00 O ATOM 1403 CB TYR A 92 168.968 8.005 3.058 1.00 0.00 C ATOM 1404 CG TYR A 92 167.734 8.534 3.753 1.00 0.00 C ATOM 1405 CD1 TYR A 92 167.190 9.763 3.407 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.112 7.801 4.758 1.00 0.00 C ATOM 1407 CE1 TYR A 92 166.064 10.249 4.040 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.984 8.279 5.395 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.464 9.504 5.032 1.00 0.00 C ATOM 1410 OH TYR A 92 164.340 9.983 5.666 1.00 0.00 O ATOM 0 H TYR A 92 168.217 5.362 1.900 1.00 0.00 H new ATOM 0 HA TYR A 92 168.233 8.160 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.440 7.255 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.684 8.818 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 92 167.656 10.349 2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.518 6.842 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 92 165.655 11.208 3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.512 7.697 6.173 1.00 0.00 H new ATOM 0 HH TYR A 92 164.042 9.335 6.338 1.00 0.00 H new ATOM 1420 N ARG A 93 170.604 7.696 0.210 1.00 0.00 N ATOM 1421 CA ARG A 93 171.824 7.258 -0.443 1.00 0.00 C ATOM 1422 C ARG A 93 172.974 8.223 -0.246 1.00 0.00 C ATOM 1423 O ARG A 93 172.794 9.440 -0.222 1.00 0.00 O ATOM 1424 CB ARG A 93 171.594 7.068 -1.938 1.00 0.00 C ATOM 1425 CG ARG A 93 171.159 8.337 -2.653 1.00 0.00 C ATOM 1426 CD ARG A 93 169.660 8.347 -2.910 1.00 0.00 C ATOM 1427 NE ARG A 93 169.320 7.728 -4.188 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.076 7.452 -4.570 1.00 0.00 C ATOM 1429 NH1 ARG A 93 167.052 7.735 -3.773 1.00 0.00 N ATOM 1430 NH2 ARG A 93 167.854 6.887 -5.748 1.00 0.00 N ATOM 0 H ARG A 93 170.299 8.639 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 93 172.094 6.310 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.513 6.700 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.835 6.299 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.432 9.205 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.692 8.423 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.151 7.818 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.297 9.375 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 93 170.081 7.493 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 93 167.218 8.166 -2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 93 166.100 7.521 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 93 168.637 6.664 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 93 166.900 6.676 -6.041 1.00 0.00 H new ATOM 1444 N GLN A 94 174.166 7.655 -0.163 1.00 0.00 N ATOM 1445 CA GLN A 94 175.376 8.437 -0.031 1.00 0.00 C ATOM 1446 C GLN A 94 176.098 8.421 -1.362 1.00 0.00 C ATOM 1447 O GLN A 94 177.095 7.721 -1.531 1.00 0.00 O ATOM 1448 CB GLN A 94 176.286 7.882 1.063 1.00 0.00 C ATOM 1449 CG GLN A 94 177.454 8.798 1.384 1.00 0.00 C ATOM 1450 CD GLN A 94 178.741 8.038 1.634 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.840 7.260 2.581 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.733 8.260 0.780 1.00 0.00 N ATOM 0 H GLN A 94 174.318 6.647 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 94 175.113 9.456 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.700 7.719 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.668 6.910 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.602 9.494 0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 94 177.212 9.394 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.605 8.915 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.623 7.776 0.895 1.00 0.00 H new ATOM 1461 N ASP A 95 175.555 9.166 -2.314 1.00 0.00 N ATOM 1462 CA ASP A 95 176.116 9.226 -3.656 1.00 0.00 C ATOM 1463 C ASP A 95 177.227 10.256 -3.755 1.00 0.00 C ATOM 1464 O ASP A 95 177.527 10.966 -2.795 1.00 0.00 O ATOM 1465 CB ASP A 95 175.025 9.546 -4.674 1.00 0.00 C ATOM 1466 CG ASP A 95 174.332 10.862 -4.385 1.00 0.00 C ATOM 1467 OD1 ASP A 95 173.994 11.111 -3.209 1.00 0.00 O ATOM 1468 OD2 ASP A 95 174.126 11.645 -5.337 1.00 0.00 O ATOM 0 H ASP A 95 174.722 9.740 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 95 176.542 8.247 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.462 9.580 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.288 8.743 -4.676 1.00 0.00 H new ATOM 1473 N ASN A 96 177.836 10.325 -4.931 1.00 0.00 N ATOM 1474 CA ASN A 96 178.922 11.260 -5.176 1.00 0.00 C ATOM 1475 C ASN A 96 180.083 10.991 -4.222 1.00 0.00 C ATOM 1476 O ASN A 96 180.931 11.855 -4.000 1.00 0.00 O ATOM 1477 CB ASN A 96 178.420 12.694 -5.016 1.00 0.00 C ATOM 1478 CG ASN A 96 179.500 13.726 -5.280 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.036 14.333 -4.353 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.825 13.931 -6.551 1.00 0.00 N ATOM 0 H ASN A 96 177.594 9.742 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 96 179.280 11.124 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.588 12.862 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.034 12.829 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.544 14.614 -6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.355 13.406 -7.289 1.00 0.00 H new ATOM 1487 N GLY A 97 180.118 9.785 -3.660 1.00 0.00 N ATOM 1488 CA GLY A 97 181.183 9.432 -2.745 1.00 0.00 C ATOM 1489 C GLY A 97 182.426 8.976 -3.470 1.00 0.00 C ATOM 1490 O GLY A 97 182.375 8.634 -4.651 1.00 0.00 O ATOM 0 H GLY A 97 179.429 9.051 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.423 10.292 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.841 8.640 -2.079 1.00 0.00 H new ATOM 1494 N GLU A 98 183.543 8.971 -2.761 1.00 0.00 N ATOM 1495 CA GLU A 98 184.807 8.552 -3.346 1.00 0.00 C ATOM 1496 C GLU A 98 185.757 8.032 -2.273 1.00 0.00 C ATOM 1497 O GLU A 98 185.858 8.602 -1.187 1.00 0.00 O ATOM 1498 CB GLU A 98 185.453 9.721 -4.096 1.00 0.00 C ATOM 1499 CG GLU A 98 186.793 9.378 -4.727 1.00 0.00 C ATOM 1500 CD GLU A 98 187.826 10.472 -4.534 1.00 0.00 C ATOM 1501 OE1 GLU A 98 187.897 11.380 -5.389 1.00 0.00 O ATOM 1502 OE2 GLU A 98 188.564 10.419 -3.528 1.00 0.00 O ATOM 0 H GLU A 98 183.601 9.251 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 98 184.607 7.743 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 98 184.771 10.062 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 98 185.589 10.553 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 98 187.167 8.450 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.653 9.199 -5.793 1.00 0.00 H new ATOM 1509 N TRP A 99 186.457 6.951 -2.591 1.00 0.00 N ATOM 1510 CA TRP A 99 187.407 6.354 -1.661 1.00 0.00 C ATOM 1511 C TRP A 99 188.754 6.133 -2.356 1.00 0.00 C ATOM 1512 O TRP A 99 188.852 6.246 -3.576 1.00 0.00 O ATOM 1513 CB TRP A 99 186.842 5.045 -1.102 1.00 0.00 C ATOM 1514 CG TRP A 99 187.785 4.331 -0.190 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.358 4.814 0.951 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.259 2.994 -0.345 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.179 3.862 1.501 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.131 2.735 0.724 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.032 1.994 -1.291 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 189.779 1.516 0.871 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 188.673 0.783 -1.143 1.00 0.00 C ATOM 1522 CH2 TRP A 99 189.538 0.553 -0.071 1.00 0.00 C ATOM 0 H TRP A 99 186.385 6.469 -3.487 1.00 0.00 H new ATOM 0 HA TRP A 99 187.570 7.033 -0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 99 185.919 5.258 -0.563 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.583 4.387 -1.931 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.190 5.799 1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.734 3.975 2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.366 2.166 -2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.449 1.334 1.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 188.504 -0.000 -1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.027 -0.406 0.017 1.00 0.00 H new ATOM 1533 N THR A 100 189.798 5.863 -1.577 1.00 0.00 N ATOM 1534 CA THR A 100 191.139 5.680 -2.129 1.00 0.00 C ATOM 1535 C THR A 100 191.646 4.243 -2.016 1.00 0.00 C ATOM 1536 O THR A 100 191.157 3.451 -1.211 1.00 0.00 O ATOM 1537 CB THR A 100 192.113 6.594 -1.384 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.307 6.765 -2.126 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.494 6.070 -0.005 1.00 0.00 C ATOM 0 H THR A 100 189.742 5.766 -0.563 1.00 0.00 H new ATOM 0 HA THR A 100 191.081 5.926 -3.189 1.00 0.00 H new ATOM 0 HB THR A 100 191.587 7.541 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.079 6.612 -1.543 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.187 6.765 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.598 5.975 0.608 1.00 0.00 H new ATOM 0 HG23 THR A 100 192.970 5.095 -0.105 1.00 0.00 H new ATOM 1547 N VAL A 101 192.677 3.947 -2.806 1.00 0.00 N ATOM 1548 CA VAL A 101 193.326 2.640 -2.786 1.00 0.00 C ATOM 1549 C VAL A 101 194.823 2.792 -2.508 1.00 0.00 C ATOM 1550 O VAL A 101 195.574 1.819 -2.559 1.00 0.00 O ATOM 1551 CB VAL A 101 193.161 1.886 -4.118 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.590 0.436 -3.961 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.725 1.970 -4.607 1.00 0.00 C ATOM 0 H VAL A 101 193.083 4.603 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 101 192.842 2.067 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 101 193.802 2.357 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.468 -0.084 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.636 0.397 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.974 -0.045 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.629 1.431 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 101 191.062 1.525 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.452 3.015 -4.757 1.00 0.00 H new ATOM 1563 N THR A 102 195.251 4.024 -2.227 1.00 0.00 N ATOM 1564 CA THR A 102 196.656 4.316 -1.958 1.00 0.00 C ATOM 1565 C THR A 102 197.168 3.577 -0.723 1.00 0.00 C ATOM 1566 O THR A 102 198.376 3.456 -0.524 1.00 0.00 O ATOM 1567 CB THR A 102 196.852 5.821 -1.775 1.00 0.00 C ATOM 1568 OG1 THR A 102 195.784 6.378 -1.028 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.937 6.575 -3.084 1.00 0.00 C ATOM 0 H THR A 102 194.639 4.839 -2.180 1.00 0.00 H new ATOM 0 HA THR A 102 197.232 3.969 -2.816 1.00 0.00 H new ATOM 0 HB THR A 102 197.801 5.928 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 102 195.928 7.341 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 102 197.076 7.637 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 102 197.781 6.202 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 102 196.016 6.430 -3.648 1.00 0.00 H new ATOM 1577 N GLU A 103 196.252 3.089 0.104 1.00 0.00 N ATOM 1578 CA GLU A 103 196.634 2.370 1.314 1.00 0.00 C ATOM 1579 C GLU A 103 195.777 1.127 1.504 1.00 0.00 C ATOM 1580 O GLU A 103 194.665 1.042 0.983 1.00 0.00 O ATOM 1581 CB GLU A 103 196.504 3.283 2.535 1.00 0.00 C ATOM 1582 CG GLU A 103 197.441 4.479 2.500 1.00 0.00 C ATOM 1583 CD GLU A 103 198.831 4.145 3.003 1.00 0.00 C ATOM 1584 OE1 GLU A 103 199.550 3.395 2.310 1.00 0.00 O ATOM 1585 OE2 GLU A 103 199.202 4.634 4.091 1.00 0.00 O ATOM 0 H GLU A 103 195.246 3.177 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 103 197.673 2.058 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 103 195.476 3.639 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 103 196.702 2.702 3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 103 197.508 4.853 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 103 197.022 5.282 3.107 1.00 0.00 H new ATOM 1592 N PHE A 104 196.297 0.166 2.260 1.00 0.00 N ATOM 1593 CA PHE A 104 195.575 -1.068 2.526 1.00 0.00 C ATOM 1594 C PHE A 104 195.690 -1.432 3.998 1.00 0.00 C ATOM 1595 O PHE A 104 196.719 -1.185 4.619 1.00 0.00 O ATOM 1596 CB PHE A 104 196.124 -2.208 1.665 1.00 0.00 C ATOM 1597 CG PHE A 104 195.847 -2.055 0.194 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.446 -1.044 -0.538 1.00 0.00 C ATOM 1599 CD2 PHE A 104 194.989 -2.932 -0.455 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.196 -0.909 -1.892 1.00 0.00 C ATOM 1601 CE2 PHE A 104 194.735 -2.798 -1.809 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.339 -1.786 -2.527 1.00 0.00 C ATOM 0 H PHE A 104 197.216 0.220 2.699 1.00 0.00 H new ATOM 0 HA PHE A 104 194.525 -0.915 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.201 -2.276 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.694 -3.149 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.116 -0.353 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.515 -3.727 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 104 196.671 -0.118 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.064 -3.485 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.142 -1.680 -3.584 1.00 0.00 H new ATOM 1612 N VAL A 105 194.637 -2.020 4.552 1.00 0.00 N ATOM 1613 CA VAL A 105 194.649 -2.412 5.952 1.00 0.00 C ATOM 1614 C VAL A 105 194.969 -3.896 6.094 1.00 0.00 C ATOM 1615 O VAL A 105 194.802 -4.677 5.158 1.00 0.00 O ATOM 1616 CB VAL A 105 193.312 -2.090 6.654 1.00 0.00 C ATOM 1617 CG1 VAL A 105 192.952 -0.625 6.460 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.196 -2.990 6.139 1.00 0.00 C ATOM 0 H VAL A 105 193.771 -2.234 4.057 1.00 0.00 H new ATOM 0 HA VAL A 105 195.430 -1.830 6.440 1.00 0.00 H new ATOM 0 HB VAL A 105 193.432 -2.280 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.007 -0.413 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.736 0.002 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.854 -0.412 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.265 -2.743 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.073 -2.840 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.450 -4.032 6.332 1.00 0.00 H new ATOM 1628 N ASN A 106 195.448 -4.265 7.271 1.00 0.00 N ATOM 1629 CA ASN A 106 195.821 -5.640 7.565 1.00 0.00 C ATOM 1630 C ASN A 106 194.620 -6.469 7.957 1.00 0.00 C ATOM 1631 O ASN A 106 193.644 -5.953 8.501 1.00 0.00 O ATOM 1632 CB ASN A 106 196.844 -5.662 8.700 1.00 0.00 C ATOM 1633 CG ASN A 106 197.759 -6.868 8.635 1.00 0.00 C ATOM 1634 OD1 ASN A 106 198.087 -7.357 7.554 1.00 0.00 O ATOM 1635 ND2 ASN A 106 198.174 -7.354 9.799 1.00 0.00 N ATOM 0 H ASN A 106 195.589 -3.621 8.049 1.00 0.00 H new ATOM 0 HA ASN A 106 196.252 -6.072 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 106 197.444 -4.753 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 106 196.321 -5.658 9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 106 198.791 -8.166 9.822 1.00 0.00 H new ATOM 0 HD22 ASN A 106 197.876 -6.915 10.670 1.00 0.00 H new ATOM 1642 N GLU A 107 194.713 -7.774 7.718 1.00 0.00 N ATOM 1643 CA GLU A 107 193.646 -8.681 8.099 1.00 0.00 C ATOM 1644 C GLU A 107 193.375 -8.523 9.592 1.00 0.00 C ATOM 1645 O GLU A 107 192.326 -8.922 10.094 1.00 0.00 O ATOM 1646 CB GLU A 107 194.025 -10.129 7.778 1.00 0.00 C ATOM 1647 CG GLU A 107 194.370 -10.357 6.316 1.00 0.00 C ATOM 1648 CD GLU A 107 195.391 -11.461 6.122 1.00 0.00 C ATOM 1649 OE1 GLU A 107 195.512 -12.322 7.020 1.00 0.00 O ATOM 1650 OE2 GLU A 107 196.068 -11.466 5.074 1.00 0.00 O ATOM 0 H GLU A 107 195.511 -8.220 7.266 1.00 0.00 H new ATOM 0 HA GLU A 107 192.747 -8.438 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 107 194.877 -10.418 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 107 193.197 -10.782 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 107 193.462 -10.607 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 107 194.756 -9.431 5.889 1.00 0.00 H new ATOM 1657 N ASP A 108 194.339 -7.910 10.286 1.00 0.00 N ATOM 1658 CA ASP A 108 194.217 -7.664 11.714 1.00 0.00 C ATOM 1659 C ASP A 108 193.214 -6.546 11.965 1.00 0.00 C ATOM 1660 O ASP A 108 192.529 -6.530 12.988 1.00 0.00 O ATOM 1661 CB ASP A 108 195.577 -7.294 12.311 1.00 0.00 C ATOM 1662 CG ASP A 108 196.389 -8.513 12.698 1.00 0.00 C ATOM 1663 OD1 ASP A 108 195.923 -9.287 13.561 1.00 0.00 O ATOM 1664 OD2 ASP A 108 197.490 -8.697 12.138 1.00 0.00 O ATOM 0 H ASP A 108 195.211 -7.577 9.875 1.00 0.00 H new ATOM 0 HA ASP A 108 193.863 -8.575 12.196 1.00 0.00 H new ATOM 0 HB2 ASP A 108 196.138 -6.701 11.589 1.00 0.00 H new ATOM 0 HB3 ASP A 108 195.426 -6.667 13.190 1.00 0.00 H new ATOM 1669 N GLY A 109 193.120 -5.611 11.018 1.00 0.00 N ATOM 1670 CA GLY A 109 192.183 -4.515 11.156 1.00 0.00 C ATOM 1671 C GLY A 109 192.853 -3.156 11.215 1.00 0.00 C ATOM 1672 O GLY A 109 192.238 -2.179 11.641 1.00 0.00 O ATOM 0 H GLY A 109 193.676 -5.597 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 109 191.487 -4.533 10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 109 191.594 -4.662 12.061 1.00 0.00 H new ATOM 1676 N THR A 110 194.107 -3.079 10.776 1.00 0.00 N ATOM 1677 CA THR A 110 194.822 -1.809 10.778 1.00 0.00 C ATOM 1678 C THR A 110 195.647 -1.639 9.516 1.00 0.00 C ATOM 1679 O THR A 110 195.969 -2.602 8.832 1.00 0.00 O ATOM 1680 CB THR A 110 195.713 -1.670 12.008 1.00 0.00 C ATOM 1681 OG1 THR A 110 196.948 -2.336 11.817 1.00 0.00 O ATOM 1682 CG2 THR A 110 195.085 -2.216 13.274 1.00 0.00 C ATOM 0 H THR A 110 194.642 -3.871 10.419 1.00 0.00 H new ATOM 0 HA THR A 110 194.070 -1.021 10.809 1.00 0.00 H new ATOM 0 HB THR A 110 195.860 -0.597 12.131 1.00 0.00 H new ATOM 0 HG1 THR A 110 197.503 -2.232 12.618 1.00 0.00 H new ATOM 0 HG21 THR A 110 195.774 -2.084 14.108 1.00 0.00 H new ATOM 0 HG22 THR A 110 194.158 -1.681 13.481 1.00 0.00 H new ATOM 0 HG23 THR A 110 194.870 -3.277 13.145 1.00 0.00 H new ATOM 1690 N PRO A 111 195.988 -0.392 9.195 1.00 0.00 N ATOM 1691 CA PRO A 111 196.762 -0.060 8.001 1.00 0.00 C ATOM 1692 C PRO A 111 198.012 -0.915 7.840 1.00 0.00 C ATOM 1693 O PRO A 111 198.834 -1.021 8.750 1.00 0.00 O ATOM 1694 CB PRO A 111 197.128 1.410 8.215 1.00 0.00 C ATOM 1695 CG PRO A 111 196.045 1.943 9.093 1.00 0.00 C ATOM 1696 CD PRO A 111 195.632 0.801 9.981 1.00 0.00 C ATOM 0 HA PRO A 111 196.194 -0.244 7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 111 198.106 1.511 8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 111 197.173 1.949 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 111 196.401 2.787 9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 111 195.203 2.301 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 111 196.158 0.824 10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 111 194.565 0.831 10.204 1.00 0.00 H new ATOM 1704 N ALA A 112 198.142 -1.520 6.664 1.00 0.00 N ATOM 1705 CA ALA A 112 199.282 -2.369 6.354 1.00 0.00 C ATOM 1706 C ALA A 112 200.419 -1.562 5.738 1.00 0.00 C ATOM 1707 O ALA A 112 200.679 -1.648 4.538 1.00 0.00 O ATOM 1708 CB ALA A 112 198.860 -3.491 5.417 1.00 0.00 C ATOM 0 H ALA A 112 197.465 -1.436 5.906 1.00 0.00 H new ATOM 0 HA ALA A 112 199.646 -2.803 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 112 199.721 -4.120 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 112 198.086 -4.092 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 112 198.470 -3.066 4.492 1.00 0.00 H new ATOM 1714 N ASP A 113 201.096 -0.778 6.571 1.00 0.00 N ATOM 1715 CA ASP A 113 202.208 0.045 6.111 1.00 0.00 C ATOM 1716 C ASP A 113 203.450 -0.808 5.870 1.00 0.00 C ATOM 1717 O ASP A 113 204.292 -0.960 6.755 1.00 0.00 O ATOM 1718 CB ASP A 113 202.515 1.140 7.133 1.00 0.00 C ATOM 1719 CG ASP A 113 202.875 2.460 6.476 1.00 0.00 C ATOM 1720 OD1 ASP A 113 202.332 2.748 5.390 1.00 0.00 O ATOM 1721 OD2 ASP A 113 203.698 3.203 7.050 1.00 0.00 O ATOM 0 H ASP A 113 200.894 -0.696 7.567 1.00 0.00 H new ATOM 0 HA ASP A 113 201.920 0.510 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 113 201.649 1.283 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 113 203.339 0.818 7.770 1.00 0.00 H new ATOM 1726 N THR A 114 203.556 -1.363 4.666 1.00 0.00 N ATOM 1727 CA THR A 114 204.696 -2.201 4.311 1.00 0.00 C ATOM 1728 C THR A 114 205.944 -1.354 4.080 1.00 0.00 C ATOM 1729 O THR A 114 206.296 -1.044 2.942 1.00 0.00 O ATOM 1730 CB THR A 114 204.385 -3.020 3.057 1.00 0.00 C ATOM 1731 OG1 THR A 114 203.471 -2.334 2.218 1.00 0.00 O ATOM 1732 CG2 THR A 114 203.798 -4.383 3.363 1.00 0.00 C ATOM 0 H THR A 114 202.868 -1.248 3.922 1.00 0.00 H new ATOM 0 HA THR A 114 204.887 -2.880 5.142 1.00 0.00 H new ATOM 0 HB THR A 114 205.345 -3.159 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 114 203.288 -2.875 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 114 203.601 -4.912 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 114 204.504 -4.957 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 114 202.866 -4.262 3.916 1.00 0.00 H new ATOM 1740 N SER A 115 206.609 -0.983 5.169 1.00 0.00 N ATOM 1741 CA SER A 115 207.819 -0.172 5.088 1.00 0.00 C ATOM 1742 C SER A 115 209.037 -0.963 5.552 1.00 0.00 C ATOM 1743 O SER A 115 209.561 -0.736 6.642 1.00 0.00 O ATOM 1744 CB SER A 115 207.665 1.095 5.932 1.00 0.00 C ATOM 1745 OG SER A 115 206.458 1.770 5.623 1.00 0.00 O ATOM 0 H SER A 115 206.331 -1.231 6.118 1.00 0.00 H new ATOM 0 HA SER A 115 207.969 0.110 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 115 207.679 0.835 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 115 208.512 1.758 5.756 1.00 0.00 H new ATOM 0 HG SER A 115 206.382 2.575 6.177 1.00 0.00 H new ATOM 1751 N LEU A 116 209.484 -1.894 4.714 1.00 0.00 N ATOM 1752 CA LEU A 116 210.642 -2.721 5.037 1.00 0.00 C ATOM 1753 C LEU A 116 211.647 -2.717 3.890 1.00 0.00 C ATOM 1754 O LEU A 116 211.754 -3.688 3.140 1.00 0.00 O ATOM 1755 CB LEU A 116 210.202 -4.154 5.344 1.00 0.00 C ATOM 1756 CG LEU A 116 210.062 -4.484 6.831 1.00 0.00 C ATOM 1757 CD1 LEU A 116 209.049 -5.598 7.039 1.00 0.00 C ATOM 1758 CD2 LEU A 116 211.412 -4.872 7.419 1.00 0.00 C ATOM 0 H LEU A 116 209.062 -2.094 3.807 1.00 0.00 H new ATOM 0 HA LEU A 116 211.124 -2.302 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 116 209.245 -4.337 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 116 210.922 -4.842 4.901 1.00 0.00 H new ATOM 0 HG LEU A 116 209.703 -3.594 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 116 208.964 -5.818 8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 116 208.079 -5.284 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 116 209.377 -6.492 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 116 211.295 -5.104 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 116 211.798 -5.747 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 116 212.111 -4.043 7.304 1.00 0.00 H new ATOM 1770 N GLU A 117 212.385 -1.619 3.759 1.00 0.00 N ATOM 1771 CA GLU A 117 213.382 -1.488 2.703 1.00 0.00 C ATOM 1772 C GLU A 117 214.554 -2.444 2.941 1.00 0.00 C ATOM 1773 O GLU A 117 215.167 -2.428 4.009 1.00 0.00 O ATOM 1774 CB GLU A 117 213.890 -0.048 2.629 1.00 0.00 C ATOM 1775 CG GLU A 117 213.900 0.523 1.220 1.00 0.00 C ATOM 1776 CD GLU A 117 214.317 1.979 1.182 1.00 0.00 C ATOM 1777 OE1 GLU A 117 213.531 2.835 1.640 1.00 0.00 O ATOM 1778 OE2 GLU A 117 215.430 2.265 0.694 1.00 0.00 O ATOM 0 H GLU A 117 212.311 -0.807 4.372 1.00 0.00 H new ATOM 0 HA GLU A 117 212.910 -1.748 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 117 213.265 0.582 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 117 214.900 -0.007 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 117 214.580 -0.062 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 117 212.906 0.423 0.785 1.00 0.00 H new ATOM 1785 N PRO A 118 214.883 -3.291 1.949 1.00 0.00 N ATOM 1786 CA PRO A 118 215.987 -4.249 2.068 1.00 0.00 C ATOM 1787 C PRO A 118 217.351 -3.567 2.034 1.00 0.00 C ATOM 1788 O PRO A 118 217.454 -2.485 1.421 1.00 0.00 O ATOM 1789 CB PRO A 118 215.810 -5.150 0.845 1.00 0.00 C ATOM 1790 CG PRO A 118 215.109 -4.297 -0.153 1.00 0.00 C ATOM 1791 CD PRO A 118 214.211 -3.385 0.638 1.00 0.00 C ATOM 0 HA PRO A 118 215.960 -4.786 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 118 216.771 -5.496 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 118 215.226 -6.037 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 118 215.822 -3.724 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 118 214.532 -4.905 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 118 214.115 -2.408 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 118 213.205 -3.794 0.731 1.00 0.00 H new TER 1799 PRO A 118