USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 782 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 97 THR OG1 : rot 79:sc= 1.97 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -172:sc= 0.927 (180deg=0) USER MOD Set 2.1: A 72 GLN : amide:sc= -0.389 K(o=0.049,f=-1.2) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0.438 USER MOD Set 3.1: A 73 TYR OH : rot 5:sc= 1.22 USER MOD Set 3.2: A 83 THR OG1 : rot 129:sc= 1 USER MOD Set 4.1: A 71 SER OG : rot -129:sc= 1.46 USER MOD Set 4.2: A 86 THR OG1 : rot -140:sc= 0.975 USER MOD Set 5.1: A 47 ASN : amide:sc= 0.96 K(o=1.8,f=-1.4) USER MOD Set 5.2: A 62 GLN : amide:sc= 0.84 K(o=1.8,f=-1.5) USER MOD Set 6.1: A 42 GLN : amide:sc= 0.233 K(o=0.46,f=-0.23) USER MOD Set 6.2: A 44 SER OG : rot 180:sc= 0.222 USER MOD Set 7.1: A 43 TYR OH : rot -144:sc= -0.0113 USER MOD Set 7.2: A 53 THR OG1 : rot 110:sc= 1.02 USER MOD Set 8.1: A 14 ASN : amide:sc= 0.999 K(o=2.8,f=0.64) USER MOD Set 8.2: A 29 ASN : amide:sc= 1.81 K(o=2.8,f=-0.3) USER MOD Set 9.1: A 12 THR OG1 : rot -85:sc= 2.23 USER MOD Set 9.2: A 15 SER OG : rot 133:sc= 1.56 USER MOD Set10.1: A 8 ASN : amide:sc= 0.628 K(o=2.2,f=0.49) USER MOD Set10.2: A 24 ASN : amide:sc= 1.55 K(o=2.2,f=-0.059) USER MOD Set10.3: A 26 TYR OH : rot 180:sc= 0.019 USER MOD Set11.1: A 6 ASN : amide:sc= 0.754 K(o=1.4,f=-12!) USER MOD Set11.2: A 9 SER OG : rot 83:sc= 0.636 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.62 K(o=0.62,f=-0.068) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 149:sc= 1.05 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 80:sc= 1.86 USER MOD Single : A 31 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.73) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 68:sc= 1.42 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 41 SER OG : rot 162:sc= 1.81 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 1.6 (180deg=1.6) USER MOD Single : A 51 SER OG : rot 59:sc= 1.71 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.2) USER MOD Single : A 61 SER OG : rot 66:sc= 1.82 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 61:sc= 1.33 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 49:sc= 1.69 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.46 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 10.894 -2.748 -1.503 1.00 0.00 N ATOM 47 CA VAL A 5 11.591 -1.886 -2.449 1.00 0.00 C ATOM 48 C VAL A 5 13.082 -2.185 -2.288 1.00 0.00 C ATOM 49 O VAL A 5 13.569 -2.338 -1.166 1.00 0.00 O ATOM 50 CB VAL A 5 11.233 -0.407 -2.161 1.00 0.00 C ATOM 51 CG1 VAL A 5 11.905 0.545 -3.161 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.715 -0.158 -2.209 1.00 0.00 C ATOM 0 HA VAL A 5 11.299 -2.071 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 5 11.601 -0.206 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.630 1.573 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.988 0.436 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.575 0.303 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.512 0.893 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.336 -0.412 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.221 -0.778 -1.461 1.00 0.00 H new ATOM 62 N ASN A 6 13.813 -2.291 -3.401 1.00 0.00 N ATOM 63 CA ASN A 6 15.218 -2.683 -3.396 1.00 0.00 C ATOM 64 C ASN A 6 16.020 -1.787 -4.336 1.00 0.00 C ATOM 65 O ASN A 6 15.581 -1.508 -5.454 1.00 0.00 O ATOM 66 CB ASN A 6 15.352 -4.158 -3.819 1.00 0.00 C ATOM 67 CG ASN A 6 16.798 -4.639 -3.742 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.617 -4.046 -3.052 1.00 0.00 O ATOM 69 ND2 ASN A 6 17.158 -5.705 -4.435 1.00 0.00 N ATOM 0 H ASN A 6 13.442 -2.106 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 6 15.614 -2.568 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.727 -4.779 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.982 -4.280 -4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 6 18.122 -6.037 -4.396 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.472 -6.196 -5.009 1.00 0.00 H new ATOM 76 N THR A 7 17.214 -1.401 -3.896 1.00 0.00 N ATOM 77 CA THR A 7 18.237 -0.731 -4.675 1.00 0.00 C ATOM 78 C THR A 7 19.520 -1.545 -4.477 1.00 0.00 C ATOM 79 O THR A 7 20.235 -1.360 -3.495 1.00 0.00 O ATOM 80 CB THR A 7 18.363 0.740 -4.232 1.00 0.00 C ATOM 81 OG1 THR A 7 17.100 1.384 -4.247 1.00 0.00 O ATOM 82 CG2 THR A 7 19.306 1.519 -5.156 1.00 0.00 C ATOM 0 H THR A 7 17.505 -1.559 -2.931 1.00 0.00 H new ATOM 0 HA THR A 7 17.999 -0.688 -5.738 1.00 0.00 H new ATOM 0 HB THR A 7 18.765 0.731 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.204 2.315 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.374 2.553 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.296 1.064 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.919 1.495 -6.175 1.00 0.00 H new ATOM 90 N ASN A 8 19.788 -2.471 -5.403 1.00 0.00 N ATOM 91 CA ASN A 8 20.984 -3.321 -5.490 1.00 0.00 C ATOM 92 C ASN A 8 21.320 -4.164 -4.243 1.00 0.00 C ATOM 93 O ASN A 8 22.449 -4.638 -4.112 1.00 0.00 O ATOM 94 CB ASN A 8 22.191 -2.489 -5.972 1.00 0.00 C ATOM 95 CG ASN A 8 23.287 -3.368 -6.581 1.00 0.00 C ATOM 96 OD1 ASN A 8 23.047 -4.096 -7.540 1.00 0.00 O ATOM 97 ND2 ASN A 8 24.510 -3.310 -6.077 1.00 0.00 N ATOM 0 H ASN A 8 19.134 -2.661 -6.162 1.00 0.00 H new ATOM 0 HA ASN A 8 20.736 -4.082 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.857 -1.761 -6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.602 -1.926 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 8 25.257 -3.871 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.705 -2.704 -5.280 1.00 0.00 H new ATOM 104 N SER A 9 20.388 -4.368 -3.311 1.00 0.00 N ATOM 105 CA SER A 9 20.584 -5.308 -2.209 1.00 0.00 C ATOM 106 C SER A 9 20.433 -6.744 -2.695 1.00 0.00 C ATOM 107 O SER A 9 19.753 -7.013 -3.693 1.00 0.00 O ATOM 108 CB SER A 9 19.581 -5.077 -1.076 1.00 0.00 C ATOM 109 OG SER A 9 19.495 -3.699 -0.791 1.00 0.00 O ATOM 0 H SER A 9 19.486 -3.892 -3.299 1.00 0.00 H new ATOM 0 HA SER A 9 21.592 -5.139 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.601 -5.461 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.891 -5.624 -0.186 1.00 0.00 H new ATOM 0 HG SER A 9 18.873 -3.274 -1.417 1.00 0.00 H new ATOM 115 N GLN A 10 21.024 -7.658 -1.932 1.00 0.00 N ATOM 116 CA GLN A 10 20.837 -9.089 -2.065 1.00 0.00 C ATOM 117 C GLN A 10 19.695 -9.470 -1.130 1.00 0.00 C ATOM 118 O GLN A 10 19.672 -9.045 0.027 1.00 0.00 O ATOM 119 CB GLN A 10 22.156 -9.811 -1.698 1.00 0.00 C ATOM 120 CG GLN A 10 21.991 -11.154 -0.957 1.00 0.00 C ATOM 121 CD GLN A 10 23.303 -11.765 -0.461 1.00 0.00 C ATOM 122 OE1 GLN A 10 24.359 -11.632 -1.074 1.00 0.00 O ATOM 123 NE2 GLN A 10 23.262 -12.434 0.681 1.00 0.00 N ATOM 0 H GLN A 10 21.667 -7.409 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 10 20.586 -9.382 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.721 -9.988 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.755 -9.144 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 10 21.328 -11.006 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.501 -11.865 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.379 -12.537 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 10 24.114 -12.846 1.061 1.00 0.00 H new ATOM 132 N ILE A 11 18.817 -10.344 -1.613 1.00 0.00 N ATOM 133 CA ILE A 11 17.788 -11.022 -0.840 1.00 0.00 C ATOM 134 C ILE A 11 17.877 -12.466 -1.335 1.00 0.00 C ATOM 135 O ILE A 11 17.611 -12.735 -2.509 1.00 0.00 O ATOM 136 CB ILE A 11 16.373 -10.401 -1.001 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.335 -8.863 -0.832 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.438 -11.033 0.053 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.483 -8.091 -2.147 1.00 0.00 C ATOM 0 H ILE A 11 18.805 -10.609 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 11 17.951 -10.934 0.234 1.00 0.00 H new ATOM 0 HB ILE A 11 16.053 -10.612 -2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.393 -8.582 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.133 -8.562 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.439 -10.608 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.391 -12.111 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.823 -10.827 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.447 -7.020 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.437 -8.341 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.670 -8.362 -2.821 1.00 0.00 H new ATOM 151 N THR A 12 18.365 -13.368 -0.482 1.00 0.00 N ATOM 152 CA THR A 12 18.576 -14.769 -0.853 1.00 0.00 C ATOM 153 C THR A 12 17.233 -15.498 -1.034 1.00 0.00 C ATOM 154 O THR A 12 16.179 -14.991 -0.641 1.00 0.00 O ATOM 155 CB THR A 12 19.504 -15.466 0.165 1.00 0.00 C ATOM 156 OG1 THR A 12 19.345 -14.932 1.463 1.00 0.00 O ATOM 157 CG2 THR A 12 20.976 -15.297 -0.213 1.00 0.00 C ATOM 0 H THR A 12 18.624 -13.150 0.480 1.00 0.00 H new ATOM 0 HA THR A 12 19.081 -14.807 -1.818 1.00 0.00 H new ATOM 0 HB THR A 12 19.225 -16.520 0.151 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.916 -14.142 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.601 -15.800 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.152 -15.734 -1.196 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.226 -14.236 -0.238 1.00 0.00 H new ATOM 165 N ALA A 13 17.270 -16.703 -1.616 1.00 0.00 N ATOM 166 CA ALA A 13 16.095 -17.458 -2.053 1.00 0.00 C ATOM 167 C ALA A 13 15.052 -17.708 -0.954 1.00 0.00 C ATOM 168 O ALA A 13 13.870 -17.851 -1.271 1.00 0.00 O ATOM 169 CB ALA A 13 16.562 -18.802 -2.619 1.00 0.00 C ATOM 0 H ALA A 13 18.146 -17.192 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 13 15.595 -16.847 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.697 -19.378 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.228 -18.629 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.094 -19.357 -1.846 1.00 0.00 H new ATOM 175 N ASN A 14 15.471 -17.765 0.317 1.00 0.00 N ATOM 176 CA ASN A 14 14.577 -18.008 1.458 1.00 0.00 C ATOM 177 C ASN A 14 14.502 -16.800 2.402 1.00 0.00 C ATOM 178 O ASN A 14 13.768 -16.821 3.393 1.00 0.00 O ATOM 179 CB ASN A 14 15.006 -19.284 2.199 1.00 0.00 C ATOM 180 CG ASN A 14 13.948 -19.733 3.209 1.00 0.00 C ATOM 181 OD1 ASN A 14 12.789 -19.943 2.860 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.315 -19.913 4.465 1.00 0.00 N ATOM 0 H ASN A 14 16.448 -17.643 0.585 1.00 0.00 H new ATOM 0 HA ASN A 14 13.568 -18.155 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.183 -20.082 1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.950 -19.106 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.634 -20.229 5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.280 -19.736 4.745 1.00 0.00 H new ATOM 189 N SER A 15 15.253 -15.740 2.107 1.00 0.00 N ATOM 190 CA SER A 15 15.114 -14.462 2.784 1.00 0.00 C ATOM 191 C SER A 15 13.838 -13.770 2.299 1.00 0.00 C ATOM 192 O SER A 15 13.311 -14.116 1.236 1.00 0.00 O ATOM 193 CB SER A 15 16.338 -13.614 2.476 1.00 0.00 C ATOM 194 OG SER A 15 17.455 -14.183 3.124 1.00 0.00 O ATOM 0 H SER A 15 15.976 -15.749 1.388 1.00 0.00 H new ATOM 0 HA SER A 15 15.041 -14.604 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.507 -13.570 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.184 -12.590 2.817 1.00 0.00 H new ATOM 0 HG SER A 15 18.205 -14.237 2.496 1.00 0.00 H new ATOM 200 N GLN A 16 13.321 -12.802 3.063 1.00 0.00 N ATOM 201 CA GLN A 16 12.024 -12.199 2.781 1.00 0.00 C ATOM 202 C GLN A 16 12.058 -10.739 3.203 1.00 0.00 C ATOM 203 O GLN A 16 12.620 -10.413 4.250 1.00 0.00 O ATOM 204 CB GLN A 16 10.917 -12.922 3.580 1.00 0.00 C ATOM 205 CG GLN A 16 10.723 -14.402 3.206 1.00 0.00 C ATOM 206 CD GLN A 16 9.654 -15.089 4.059 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.540 -14.596 4.223 1.00 0.00 O ATOM 208 NE2 GLN A 16 9.966 -16.244 4.627 1.00 0.00 N ATOM 0 H GLN A 16 13.788 -12.421 3.886 1.00 0.00 H new ATOM 0 HA GLN A 16 11.813 -12.284 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.152 -12.857 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.975 -12.396 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.445 -14.474 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.670 -14.929 3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.892 -16.648 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.280 -16.730 5.205 1.00 0.00 H new ATOM 217 N CYS A 17 11.423 -9.868 2.421 1.00 0.00 N ATOM 218 CA CYS A 17 11.177 -8.494 2.822 1.00 0.00 C ATOM 219 C CYS A 17 9.770 -8.089 2.395 1.00 0.00 C ATOM 220 O CYS A 17 9.274 -8.558 1.368 1.00 0.00 O ATOM 221 CB CYS A 17 12.276 -7.558 2.302 1.00 0.00 C ATOM 222 SG CYS A 17 12.438 -7.361 0.505 1.00 0.00 S ATOM 0 H CYS A 17 11.067 -10.100 1.494 1.00 0.00 H new ATOM 0 HA CYS A 17 11.222 -8.408 3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 17 12.108 -6.571 2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.231 -7.916 2.687 1.00 0.00 H new ATOM 0 HG CYS A 17 13.410 -6.537 0.245 1.00 0.00 H new ATOM 227 N VAL A 18 9.112 -7.256 3.205 1.00 0.00 N ATOM 228 CA VAL A 18 7.700 -6.898 3.060 1.00 0.00 C ATOM 229 C VAL A 18 7.575 -5.453 3.546 1.00 0.00 C ATOM 230 O VAL A 18 7.970 -5.154 4.674 1.00 0.00 O ATOM 231 CB VAL A 18 6.805 -7.871 3.874 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.312 -7.561 3.686 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.006 -9.351 3.501 1.00 0.00 C ATOM 0 H VAL A 18 9.559 -6.800 4.001 1.00 0.00 H new ATOM 0 HA VAL A 18 7.364 -6.979 2.026 1.00 0.00 H new ATOM 0 HB VAL A 18 7.113 -7.716 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.718 -8.263 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.106 -6.544 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.051 -7.655 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.349 -9.972 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.769 -9.496 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.043 -9.634 3.682 1.00 0.00 H new ATOM 243 N LYS A 19 7.078 -4.556 2.689 1.00 0.00 N ATOM 244 CA LYS A 19 7.021 -3.087 2.823 1.00 0.00 C ATOM 245 C LYS A 19 8.377 -2.383 3.004 1.00 0.00 C ATOM 246 O LYS A 19 8.466 -1.181 2.756 1.00 0.00 O ATOM 247 CB LYS A 19 6.047 -2.652 3.937 1.00 0.00 C ATOM 248 CG LYS A 19 4.669 -3.326 3.967 1.00 0.00 C ATOM 249 CD LYS A 19 3.903 -3.221 2.641 1.00 0.00 C ATOM 250 CE LYS A 19 2.542 -3.924 2.733 1.00 0.00 C ATOM 251 NZ LYS A 19 1.750 -3.768 1.488 1.00 0.00 N ATOM 0 H LYS A 19 6.668 -4.860 1.806 1.00 0.00 H new ATOM 0 HA LYS A 19 6.648 -2.756 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.531 -2.830 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.895 -1.576 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.794 -4.378 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.071 -2.875 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.757 -2.172 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.493 -3.667 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.695 -4.984 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.980 -3.517 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.838 -4.258 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.582 -2.758 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.274 -4.179 0.689 1.00 0.00 H new ATOM 265 N SER A 20 9.411 -3.095 3.441 1.00 0.00 N ATOM 266 CA SER A 20 10.745 -2.587 3.702 1.00 0.00 C ATOM 267 C SER A 20 11.414 -1.978 2.469 1.00 0.00 C ATOM 268 O SER A 20 11.029 -2.265 1.333 1.00 0.00 O ATOM 269 CB SER A 20 11.565 -3.751 4.255 1.00 0.00 C ATOM 270 OG SER A 20 10.911 -4.272 5.400 1.00 0.00 O ATOM 0 H SER A 20 9.332 -4.094 3.631 1.00 0.00 H new ATOM 0 HA SER A 20 10.682 -1.768 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.675 -4.528 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.569 -3.415 4.515 1.00 0.00 H new ATOM 0 HG SER A 20 11.086 -5.234 5.468 1.00 0.00 H new ATOM 276 N THR A 21 12.463 -1.191 2.707 1.00 0.00 N ATOM 277 CA THR A 21 13.286 -0.588 1.667 1.00 0.00 C ATOM 278 C THR A 21 14.736 -0.979 1.952 1.00 0.00 C ATOM 279 O THR A 21 15.224 -0.772 3.065 1.00 0.00 O ATOM 280 CB THR A 21 13.076 0.937 1.642 1.00 0.00 C ATOM 281 OG1 THR A 21 11.699 1.246 1.514 1.00 0.00 O ATOM 282 CG2 THR A 21 13.818 1.606 0.479 1.00 0.00 C ATOM 0 H THR A 21 12.768 -0.952 3.650 1.00 0.00 H new ATOM 0 HA THR A 21 13.009 -0.948 0.676 1.00 0.00 H new ATOM 0 HB THR A 21 13.473 1.317 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.582 2.219 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.639 2.681 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.887 1.414 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.456 1.200 -0.465 1.00 0.00 H new ATOM 290 N ALA A 22 15.424 -1.555 0.967 1.00 0.00 N ATOM 291 CA ALA A 22 16.762 -2.094 1.141 1.00 0.00 C ATOM 292 C ALA A 22 17.709 -1.419 0.158 1.00 0.00 C ATOM 293 O ALA A 22 17.435 -1.404 -1.045 1.00 0.00 O ATOM 294 CB ALA A 22 16.717 -3.615 0.942 1.00 0.00 C ATOM 0 H ALA A 22 15.061 -1.659 0.020 1.00 0.00 H new ATOM 0 HA ALA A 22 17.131 -1.895 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.717 -4.029 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.044 -4.058 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.358 -3.840 -0.062 1.00 0.00 H new ATOM 300 N THR A 23 18.825 -0.893 0.663 1.00 0.00 N ATOM 301 CA THR A 23 19.813 -0.183 -0.145 1.00 0.00 C ATOM 302 C THR A 23 21.178 -0.871 -0.014 1.00 0.00 C ATOM 303 O THR A 23 21.863 -0.729 1.000 1.00 0.00 O ATOM 304 CB THR A 23 19.838 1.304 0.259 1.00 0.00 C ATOM 305 OG1 THR A 23 18.524 1.831 0.335 1.00 0.00 O ATOM 306 CG2 THR A 23 20.632 2.153 -0.739 1.00 0.00 C ATOM 0 H THR A 23 19.069 -0.949 1.652 1.00 0.00 H new ATOM 0 HA THR A 23 19.544 -0.219 -1.201 1.00 0.00 H new ATOM 0 HB THR A 23 20.320 1.348 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.565 2.775 0.595 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.625 3.194 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.660 1.794 -0.785 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.176 2.075 -1.726 1.00 0.00 H new ATOM 314 N ASN A 24 21.583 -1.602 -1.056 1.00 0.00 N ATOM 315 CA ASN A 24 22.811 -2.391 -1.154 1.00 0.00 C ATOM 316 C ASN A 24 23.091 -3.202 0.123 1.00 0.00 C ATOM 317 O ASN A 24 24.208 -3.202 0.645 1.00 0.00 O ATOM 318 CB ASN A 24 23.978 -1.502 -1.620 1.00 0.00 C ATOM 319 CG ASN A 24 25.054 -2.318 -2.333 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.217 -2.210 -3.545 1.00 0.00 O ATOM 321 ND2 ASN A 24 25.787 -3.152 -1.622 1.00 0.00 N ATOM 0 H ASN A 24 21.025 -1.661 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 24 22.681 -3.153 -1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.602 -0.729 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.415 -0.994 -0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 24 26.502 -3.719 -2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 24 25.639 -3.230 -0.616 1.00 0.00 H new ATOM 328 N CYS A 25 22.060 -3.848 0.669 1.00 0.00 N ATOM 329 CA CYS A 25 22.165 -4.683 1.857 1.00 0.00 C ATOM 330 C CYS A 25 22.478 -6.115 1.426 1.00 0.00 C ATOM 331 O CYS A 25 22.366 -6.452 0.244 1.00 0.00 O ATOM 332 CB CYS A 25 20.846 -4.639 2.643 1.00 0.00 C ATOM 333 SG CYS A 25 20.185 -2.978 2.939 1.00 0.00 S ATOM 0 H CYS A 25 21.115 -3.802 0.289 1.00 0.00 H new ATOM 0 HA CYS A 25 22.963 -4.315 2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.099 -5.220 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.997 -5.130 3.604 1.00 0.00 H new ATOM 338 N TYR A 26 22.794 -6.982 2.381 1.00 0.00 N ATOM 339 CA TYR A 26 23.126 -8.374 2.135 1.00 0.00 C ATOM 340 C TYR A 26 22.340 -9.205 3.139 1.00 0.00 C ATOM 341 O TYR A 26 22.604 -9.141 4.340 1.00 0.00 O ATOM 342 CB TYR A 26 24.641 -8.573 2.272 1.00 0.00 C ATOM 343 CG TYR A 26 25.482 -7.708 1.349 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.677 -8.082 0.005 1.00 0.00 C ATOM 345 CD2 TYR A 26 26.070 -6.525 1.840 1.00 0.00 C ATOM 346 CE1 TYR A 26 26.468 -7.284 -0.843 1.00 0.00 C ATOM 347 CE2 TYR A 26 26.869 -5.727 1.000 1.00 0.00 C ATOM 348 CZ TYR A 26 27.076 -6.109 -0.346 1.00 0.00 C ATOM 349 OH TYR A 26 27.867 -5.362 -1.169 1.00 0.00 O ATOM 0 H TYR A 26 22.826 -6.728 3.368 1.00 0.00 H new ATOM 0 HA TYR A 26 22.859 -8.685 1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.929 -8.367 3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.875 -9.620 2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.219 -8.983 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 26 25.907 -6.229 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.610 -7.570 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.323 -4.825 1.382 1.00 0.00 H new ATOM 0 HH TYR A 26 28.209 -4.586 -0.678 1.00 0.00 H new ATOM 359 N ILE A 27 21.337 -9.936 2.658 1.00 0.00 N ATOM 360 CA ILE A 27 20.399 -10.670 3.489 1.00 0.00 C ATOM 361 C ILE A 27 20.660 -12.150 3.185 1.00 0.00 C ATOM 362 O ILE A 27 20.602 -12.559 2.019 1.00 0.00 O ATOM 363 CB ILE A 27 18.960 -10.183 3.165 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.813 -8.641 3.259 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.930 -10.843 4.086 1.00 0.00 C ATOM 366 CD1 ILE A 27 17.398 -8.109 2.992 1.00 0.00 C ATOM 0 H ILE A 27 21.154 -10.034 1.659 1.00 0.00 H new ATOM 0 HA ILE A 27 20.520 -10.510 4.560 1.00 0.00 H new ATOM 0 HB ILE A 27 18.771 -10.478 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.124 -8.321 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.499 -8.181 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.933 -10.482 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.967 -11.925 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 27 18.156 -10.593 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.395 -7.023 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.087 -8.392 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 27 16.706 -8.534 3.719 1.00 0.00 H new ATOM 378 N ASP A 28 21.007 -12.943 4.201 1.00 0.00 N ATOM 379 CA ASP A 28 21.315 -14.367 4.101 1.00 0.00 C ATOM 380 C ASP A 28 20.392 -15.125 5.049 1.00 0.00 C ATOM 381 O ASP A 28 20.485 -14.947 6.264 1.00 0.00 O ATOM 382 CB ASP A 28 22.786 -14.626 4.445 1.00 0.00 C ATOM 383 CG ASP A 28 23.062 -16.134 4.566 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.787 -16.881 3.601 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.588 -16.578 5.610 1.00 0.00 O ATOM 0 H ASP A 28 21.084 -12.593 5.156 1.00 0.00 H new ATOM 0 HA ASP A 28 21.155 -14.712 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.425 -14.196 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.038 -14.129 5.382 1.00 0.00 H new ATOM 390 N ASN A 29 19.476 -15.928 4.500 1.00 0.00 N ATOM 391 CA ASN A 29 18.380 -16.608 5.208 1.00 0.00 C ATOM 392 C ASN A 29 17.677 -15.723 6.256 1.00 0.00 C ATOM 393 O ASN A 29 17.273 -16.206 7.318 1.00 0.00 O ATOM 394 CB ASN A 29 18.868 -17.941 5.810 1.00 0.00 C ATOM 395 CG ASN A 29 17.692 -18.869 6.104 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.955 -19.232 5.193 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.475 -19.303 7.334 1.00 0.00 N ATOM 0 H ASN A 29 19.476 -16.134 3.501 1.00 0.00 H new ATOM 0 HA ASN A 29 17.615 -16.825 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.556 -18.427 5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.423 -17.748 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.698 -19.936 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.085 -19.004 8.095 1.00 0.00 H new ATOM 404 N SER A 30 17.542 -14.426 5.986 1.00 0.00 N ATOM 405 CA SER A 30 17.104 -13.431 6.955 1.00 0.00 C ATOM 406 C SER A 30 15.856 -12.700 6.472 1.00 0.00 C ATOM 407 O SER A 30 15.491 -12.742 5.297 1.00 0.00 O ATOM 408 CB SER A 30 18.252 -12.460 7.242 1.00 0.00 C ATOM 409 OG SER A 30 19.320 -13.126 7.869 1.00 0.00 O ATOM 0 H SER A 30 17.739 -14.032 5.066 1.00 0.00 H new ATOM 0 HA SER A 30 16.833 -13.934 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.595 -12.008 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.899 -11.649 7.879 1.00 0.00 H new ATOM 0 HG SER A 30 19.846 -13.606 7.196 1.00 0.00 H new ATOM 415 N GLN A 31 15.164 -12.049 7.400 1.00 0.00 N ATOM 416 CA GLN A 31 13.867 -11.447 7.163 1.00 0.00 C ATOM 417 C GLN A 31 13.948 -9.976 7.561 1.00 0.00 C ATOM 418 O GLN A 31 14.476 -9.647 8.623 1.00 0.00 O ATOM 419 CB GLN A 31 12.787 -12.220 7.935 1.00 0.00 C ATOM 420 CG GLN A 31 12.644 -13.689 7.487 1.00 0.00 C ATOM 421 CD GLN A 31 13.710 -14.633 8.060 1.00 0.00 C ATOM 422 OE1 GLN A 31 13.960 -14.668 9.262 1.00 0.00 O ATOM 423 NE2 GLN A 31 14.373 -15.414 7.217 1.00 0.00 N ATOM 0 H GLN A 31 15.500 -11.925 8.355 1.00 0.00 H new ATOM 0 HA GLN A 31 13.589 -11.499 6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.023 -12.194 8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.829 -11.715 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.659 -14.052 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.687 -13.730 6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.163 -15.382 6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.093 -16.046 7.566 1.00 0.00 H new ATOM 432 N LEU A 32 13.442 -9.101 6.693 1.00 0.00 N ATOM 433 CA LEU A 32 13.504 -7.644 6.823 1.00 0.00 C ATOM 434 C LEU A 32 12.102 -7.138 6.496 1.00 0.00 C ATOM 435 O LEU A 32 11.819 -6.802 5.346 1.00 0.00 O ATOM 436 CB LEU A 32 14.581 -7.116 5.850 1.00 0.00 C ATOM 437 CG LEU A 32 14.760 -5.585 5.865 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.528 -5.120 7.108 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.508 -5.123 4.613 1.00 0.00 C ATOM 0 H LEU A 32 12.958 -9.399 5.846 1.00 0.00 H new ATOM 0 HA LEU A 32 13.785 -7.301 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.535 -7.583 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.324 -7.429 4.838 1.00 0.00 H new ATOM 0 HG LEU A 32 13.764 -5.143 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.635 -4.036 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.980 -5.411 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.515 -5.582 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.626 -4.040 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.490 -5.595 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.941 -5.405 3.726 1.00 0.00 H new ATOM 451 N VAL A 33 11.208 -7.066 7.477 1.00 0.00 N ATOM 452 CA VAL A 33 9.781 -6.847 7.226 1.00 0.00 C ATOM 453 C VAL A 33 9.189 -5.644 7.970 1.00 0.00 C ATOM 454 O VAL A 33 9.848 -5.006 8.794 1.00 0.00 O ATOM 455 CB VAL A 33 9.033 -8.172 7.526 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.501 -9.311 6.602 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.177 -8.635 8.986 1.00 0.00 C ATOM 0 H VAL A 33 11.447 -7.157 8.465 1.00 0.00 H new ATOM 0 HA VAL A 33 9.651 -6.577 6.178 1.00 0.00 H new ATOM 0 HB VAL A 33 7.982 -7.949 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.954 -10.223 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.312 -9.038 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.568 -9.480 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.630 -9.567 9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.231 -8.794 9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.772 -7.872 9.651 1.00 0.00 H new ATOM 467 N ASP A 34 7.912 -5.376 7.676 1.00 0.00 N ATOM 468 CA ASP A 34 7.053 -4.370 8.296 1.00 0.00 C ATOM 469 C ASP A 34 7.658 -2.968 8.224 1.00 0.00 C ATOM 470 O ASP A 34 7.713 -2.233 9.209 1.00 0.00 O ATOM 471 CB ASP A 34 6.624 -4.806 9.706 1.00 0.00 C ATOM 472 CG ASP A 34 5.475 -3.936 10.237 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.504 -3.681 9.491 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.530 -3.488 11.403 1.00 0.00 O ATOM 0 H ASP A 34 7.421 -5.894 6.948 1.00 0.00 H new ATOM 0 HA ASP A 34 6.134 -4.298 7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.312 -5.850 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.475 -4.740 10.384 1.00 0.00 H new ATOM 479 N THR A 35 8.125 -2.592 7.037 1.00 0.00 N ATOM 480 CA THR A 35 8.771 -1.330 6.759 1.00 0.00 C ATOM 481 C THR A 35 10.078 -1.130 7.538 1.00 0.00 C ATOM 482 O THR A 35 10.321 -0.073 8.128 1.00 0.00 O ATOM 483 CB THR A 35 7.768 -0.173 6.836 1.00 0.00 C ATOM 484 OG1 THR A 35 6.479 -0.556 6.381 1.00 0.00 O ATOM 485 CG2 THR A 35 8.265 0.963 5.938 1.00 0.00 C ATOM 0 H THR A 35 8.057 -3.190 6.213 1.00 0.00 H new ATOM 0 HA THR A 35 9.115 -1.346 5.725 1.00 0.00 H new ATOM 0 HB THR A 35 7.691 0.135 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.868 0.208 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.562 1.795 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.244 1.297 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.343 0.607 4.911 1.00 0.00 H new ATOM 493 N SER A 36 10.914 -2.167 7.591 1.00 0.00 N ATOM 494 CA SER A 36 12.275 -1.994 8.061 1.00 0.00 C ATOM 495 C SER A 36 13.017 -1.281 6.928 1.00 0.00 C ATOM 496 O SER A 36 12.595 -1.323 5.768 1.00 0.00 O ATOM 497 CB SER A 36 12.919 -3.345 8.357 1.00 0.00 C ATOM 498 OG SER A 36 12.269 -3.971 9.440 1.00 0.00 O ATOM 0 H SER A 36 10.672 -3.119 7.317 1.00 0.00 H new ATOM 0 HA SER A 36 12.309 -1.420 8.987 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.865 -3.982 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.976 -3.209 8.588 1.00 0.00 H new ATOM 0 HG SER A 36 11.360 -4.222 9.175 1.00 0.00 H new ATOM 504 N ILE A 37 14.123 -0.612 7.226 1.00 0.00 N ATOM 505 CA ILE A 37 14.872 0.120 6.214 1.00 0.00 C ATOM 506 C ILE A 37 16.349 -0.157 6.477 1.00 0.00 C ATOM 507 O ILE A 37 16.799 0.020 7.612 1.00 0.00 O ATOM 508 CB ILE A 37 14.470 1.621 6.215 1.00 0.00 C ATOM 509 CG1 ILE A 37 12.994 1.802 5.779 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.412 2.439 5.307 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.504 3.254 5.713 1.00 0.00 C ATOM 0 H ILE A 37 14.522 -0.561 8.163 1.00 0.00 H new ATOM 0 HA ILE A 37 14.644 -0.209 5.200 1.00 0.00 H new ATOM 0 HB ILE A 37 14.568 1.995 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.864 1.347 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.357 1.252 6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.113 3.487 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.436 2.349 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.354 2.060 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.461 3.272 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.594 3.714 6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.109 3.810 4.996 1.00 0.00 H new ATOM 523 N CYS A 38 17.102 -0.590 5.458 1.00 0.00 N ATOM 524 CA CYS A 38 18.509 -0.928 5.618 1.00 0.00 C ATOM 525 C CYS A 38 19.352 -0.212 4.579 1.00 0.00 C ATOM 526 O CYS A 38 18.871 0.134 3.494 1.00 0.00 O ATOM 527 CB CYS A 38 18.737 -2.446 5.580 1.00 0.00 C ATOM 528 SG CYS A 38 18.468 -3.283 3.997 1.00 0.00 S ATOM 0 H CYS A 38 16.750 -0.713 4.509 1.00 0.00 H new ATOM 0 HA CYS A 38 18.825 -0.586 6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.762 -2.642 5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 38 18.082 -2.905 6.321 1.00 0.00 H new ATOM 533 N THR A 39 20.628 -0.003 4.896 1.00 0.00 N ATOM 534 CA THR A 39 21.585 0.606 3.985 1.00 0.00 C ATOM 535 C THR A 39 22.970 0.039 4.308 1.00 0.00 C ATOM 536 O THR A 39 23.437 0.162 5.439 1.00 0.00 O ATOM 537 CB THR A 39 21.501 2.142 4.102 1.00 0.00 C ATOM 538 OG1 THR A 39 20.196 2.599 3.785 1.00 0.00 O ATOM 539 CG2 THR A 39 22.467 2.869 3.160 1.00 0.00 C ATOM 0 H THR A 39 21.027 -0.255 5.801 1.00 0.00 H new ATOM 0 HA THR A 39 21.366 0.370 2.944 1.00 0.00 H new ATOM 0 HB THR A 39 21.767 2.367 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.162 3.575 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.360 3.946 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.491 2.575 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.238 2.603 2.128 1.00 0.00 H new ATOM 547 N ARG A 40 23.624 -0.575 3.313 1.00 0.00 N ATOM 548 CA ARG A 40 24.946 -1.216 3.396 1.00 0.00 C ATOM 549 C ARG A 40 25.140 -2.135 4.614 1.00 0.00 C ATOM 550 O ARG A 40 26.228 -2.184 5.189 1.00 0.00 O ATOM 551 CB ARG A 40 26.088 -0.198 3.179 1.00 0.00 C ATOM 552 CG ARG A 40 26.206 0.899 4.255 1.00 0.00 C ATOM 553 CD ARG A 40 27.586 1.566 4.253 1.00 0.00 C ATOM 554 NE ARG A 40 28.593 0.682 4.865 1.00 0.00 N ATOM 555 CZ ARG A 40 29.689 0.158 4.311 1.00 0.00 C ATOM 556 NH1 ARG A 40 30.033 0.414 3.052 1.00 0.00 N ATOM 557 NH2 ARG A 40 30.427 -0.637 5.072 1.00 0.00 N ATOM 0 H ARG A 40 23.224 -0.642 2.377 1.00 0.00 H new ATOM 0 HA ARG A 40 24.993 -1.914 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.032 -0.741 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 40 25.947 0.280 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 40 25.439 1.655 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 40 26.016 0.465 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.878 1.805 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.541 2.508 4.800 1.00 0.00 H new ATOM 0 HE ARG A 40 28.431 0.438 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.453 1.027 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.877 -0.003 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.148 -0.824 6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.274 -1.062 4.695 1.00 0.00 H new ATOM 571 N SER A 41 24.102 -2.877 4.998 1.00 0.00 N ATOM 572 CA SER A 41 24.108 -3.735 6.178 1.00 0.00 C ATOM 573 C SER A 41 24.093 -5.218 5.795 1.00 0.00 C ATOM 574 O SER A 41 23.773 -5.573 4.657 1.00 0.00 O ATOM 575 CB SER A 41 22.878 -3.397 7.010 1.00 0.00 C ATOM 576 OG SER A 41 22.923 -2.059 7.451 1.00 0.00 O ATOM 0 H SER A 41 23.219 -2.898 4.488 1.00 0.00 H new ATOM 0 HA SER A 41 25.021 -3.559 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.977 -3.559 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.820 -4.066 7.869 1.00 0.00 H new ATOM 0 HG SER A 41 22.025 -1.772 7.719 1.00 0.00 H new ATOM 582 N GLN A 42 24.393 -6.077 6.768 1.00 0.00 N ATOM 583 CA GLN A 42 24.466 -7.532 6.643 1.00 0.00 C ATOM 584 C GLN A 42 23.500 -8.157 7.649 1.00 0.00 C ATOM 585 O GLN A 42 23.437 -7.720 8.801 1.00 0.00 O ATOM 586 CB GLN A 42 25.915 -7.988 6.911 1.00 0.00 C ATOM 587 CG GLN A 42 26.141 -9.514 6.974 1.00 0.00 C ATOM 588 CD GLN A 42 25.906 -10.227 5.640 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.512 -9.889 4.628 1.00 0.00 O ATOM 590 NE2 GLN A 42 25.046 -11.233 5.600 1.00 0.00 N ATOM 0 H GLN A 42 24.603 -5.760 7.715 1.00 0.00 H new ATOM 0 HA GLN A 42 24.184 -7.850 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.555 -7.577 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.244 -7.552 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 42 27.161 -9.708 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.476 -9.940 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.545 -11.510 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.884 -11.731 4.725 1.00 0.00 H new ATOM 599 N TYR A 43 22.811 -9.221 7.237 1.00 0.00 N ATOM 600 CA TYR A 43 21.874 -9.978 8.056 1.00 0.00 C ATOM 601 C TYR A 43 22.091 -11.443 7.727 1.00 0.00 C ATOM 602 O TYR A 43 22.140 -11.794 6.546 1.00 0.00 O ATOM 603 CB TYR A 43 20.425 -9.584 7.735 1.00 0.00 C ATOM 604 CG TYR A 43 20.196 -8.091 7.753 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.429 -7.342 6.585 1.00 0.00 C ATOM 606 CD2 TYR A 43 19.865 -7.446 8.957 1.00 0.00 C ATOM 607 CE1 TYR A 43 20.358 -5.943 6.623 1.00 0.00 C ATOM 608 CE2 TYR A 43 19.809 -6.044 9.004 1.00 0.00 C ATOM 609 CZ TYR A 43 20.076 -5.296 7.841 1.00 0.00 C ATOM 610 OH TYR A 43 20.117 -3.947 7.892 1.00 0.00 O ATOM 0 H TYR A 43 22.895 -9.590 6.290 1.00 0.00 H new ATOM 0 HA TYR A 43 22.042 -9.775 9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.158 -9.974 6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.759 -10.056 8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 43 20.663 -7.846 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.654 -8.027 9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.518 -5.366 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 43 19.562 -5.541 9.928 1.00 0.00 H new ATOM 0 HH TYR A 43 20.462 -3.663 8.764 1.00 0.00 H new ATOM 620 N SER A 44 22.229 -12.278 8.750 1.00 0.00 N ATOM 621 CA SER A 44 22.597 -13.669 8.601 1.00 0.00 C ATOM 622 C SER A 44 21.777 -14.491 9.599 1.00 0.00 C ATOM 623 O SER A 44 21.939 -14.360 10.815 1.00 0.00 O ATOM 624 CB SER A 44 24.107 -13.815 8.836 1.00 0.00 C ATOM 625 OG SER A 44 24.854 -12.930 8.009 1.00 0.00 O ATOM 0 H SER A 44 22.085 -11.997 9.720 1.00 0.00 H new ATOM 0 HA SER A 44 22.383 -14.034 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.334 -13.614 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.409 -14.843 8.636 1.00 0.00 H new ATOM 0 HG SER A 44 25.811 -13.048 8.185 1.00 0.00 H new ATOM 631 N ASP A 45 20.888 -15.331 9.068 1.00 0.00 N ATOM 632 CA ASP A 45 19.882 -16.120 9.780 1.00 0.00 C ATOM 633 C ASP A 45 19.148 -15.334 10.886 1.00 0.00 C ATOM 634 O ASP A 45 18.962 -15.830 11.999 1.00 0.00 O ATOM 635 CB ASP A 45 20.502 -17.443 10.254 1.00 0.00 C ATOM 636 CG ASP A 45 19.425 -18.454 10.679 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.495 -18.700 9.878 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.543 -19.066 11.764 1.00 0.00 O ATOM 0 H ASP A 45 20.849 -15.489 8.061 1.00 0.00 H new ATOM 0 HA ASP A 45 19.083 -16.363 9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.106 -17.870 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.173 -17.251 11.092 1.00 0.00 H new ATOM 643 N ALA A 46 18.759 -14.085 10.600 1.00 0.00 N ATOM 644 CA ALA A 46 18.239 -13.116 11.567 1.00 0.00 C ATOM 645 C ALA A 46 16.905 -12.521 11.092 1.00 0.00 C ATOM 646 O ALA A 46 16.582 -12.592 9.905 1.00 0.00 O ATOM 647 CB ALA A 46 19.286 -12.008 11.743 1.00 0.00 C ATOM 0 H ALA A 46 18.800 -13.710 9.652 1.00 0.00 H new ATOM 0 HA ALA A 46 18.051 -13.614 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.921 -11.273 12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.216 -12.442 12.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.466 -11.522 10.784 1.00 0.00 H new ATOM 653 N ASN A 47 16.138 -11.886 11.987 1.00 0.00 N ATOM 654 CA ASN A 47 14.853 -11.274 11.636 1.00 0.00 C ATOM 655 C ASN A 47 14.797 -9.848 12.163 1.00 0.00 C ATOM 656 O ASN A 47 15.251 -9.559 13.267 1.00 0.00 O ATOM 657 CB ASN A 47 13.689 -12.114 12.173 1.00 0.00 C ATOM 658 CG ASN A 47 12.322 -11.456 11.975 1.00 0.00 C ATOM 659 OD1 ASN A 47 12.053 -10.834 10.954 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.427 -11.580 12.939 1.00 0.00 N ATOM 0 H ASN A 47 16.390 -11.783 12.970 1.00 0.00 H new ATOM 0 HA ASN A 47 14.760 -11.241 10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.692 -13.085 11.677 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.844 -12.299 13.236 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.505 -11.157 12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.658 -12.099 13.786 1.00 0.00 H new ATOM 667 N VAL A 48 14.241 -8.955 11.361 1.00 0.00 N ATOM 668 CA VAL A 48 14.234 -7.520 11.573 1.00 0.00 C ATOM 669 C VAL A 48 12.833 -7.026 11.217 1.00 0.00 C ATOM 670 O VAL A 48 12.306 -7.379 10.157 1.00 0.00 O ATOM 671 CB VAL A 48 15.335 -6.865 10.710 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.413 -5.356 10.968 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.731 -7.464 10.961 1.00 0.00 C ATOM 0 H VAL A 48 13.760 -9.226 10.504 1.00 0.00 H new ATOM 0 HA VAL A 48 14.454 -7.253 12.607 1.00 0.00 H new ATOM 0 HB VAL A 48 15.051 -7.064 9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.196 -4.921 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.457 -4.895 10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.642 -5.178 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.461 -6.963 10.326 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.004 -7.325 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.717 -8.529 10.728 1.00 0.00 H new ATOM 683 N LYS A 49 12.228 -6.229 12.103 1.00 0.00 N ATOM 684 CA LYS A 49 10.844 -5.791 11.967 1.00 0.00 C ATOM 685 C LYS A 49 10.750 -4.307 12.306 1.00 0.00 C ATOM 686 O LYS A 49 11.189 -3.886 13.383 1.00 0.00 O ATOM 687 CB LYS A 49 9.959 -6.680 12.856 1.00 0.00 C ATOM 688 CG LYS A 49 8.465 -6.368 12.689 1.00 0.00 C ATOM 689 CD LYS A 49 7.598 -7.275 13.571 1.00 0.00 C ATOM 690 CE LYS A 49 6.115 -6.929 13.378 1.00 0.00 C ATOM 691 NZ LYS A 49 5.226 -7.764 14.224 1.00 0.00 N ATOM 0 H LYS A 49 12.691 -5.870 12.938 1.00 0.00 H new ATOM 0 HA LYS A 49 10.487 -5.899 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.139 -7.727 12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.242 -6.543 13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.279 -5.325 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.180 -6.495 11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.773 -8.320 13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.876 -7.152 14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.956 -5.877 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.846 -7.063 12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.235 -7.494 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.356 -8.767 13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.462 -7.617 15.226 1.00 0.00 H new ATOM 705 N LYS A 50 10.169 -3.524 11.392 1.00 0.00 N ATOM 706 CA LYS A 50 10.064 -2.064 11.430 1.00 0.00 C ATOM 707 C LYS A 50 11.293 -1.398 12.067 1.00 0.00 C ATOM 708 O LYS A 50 11.151 -0.624 13.012 1.00 0.00 O ATOM 709 CB LYS A 50 8.735 -1.678 12.109 1.00 0.00 C ATOM 710 CG LYS A 50 8.322 -0.215 11.849 1.00 0.00 C ATOM 711 CD LYS A 50 6.942 0.107 12.448 1.00 0.00 C ATOM 712 CE LYS A 50 5.857 0.333 11.385 1.00 0.00 C ATOM 713 NZ LYS A 50 5.642 -0.855 10.529 1.00 0.00 N ATOM 0 H LYS A 50 9.734 -3.916 10.557 1.00 0.00 H new ATOM 0 HA LYS A 50 10.052 -1.679 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.946 -2.340 11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.824 -1.838 13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.068 0.454 12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.304 -0.028 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.637 -0.711 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.023 0.998 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.921 0.596 11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.137 1.181 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.900 -0.649 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.527 -1.093 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.348 -1.659 11.119 1.00 0.00 H new ATOM 727 N SER A 51 12.505 -1.713 11.606 1.00 0.00 N ATOM 728 CA SER A 51 13.726 -1.208 12.226 1.00 0.00 C ATOM 729 C SER A 51 14.587 -0.530 11.169 1.00 0.00 C ATOM 730 O SER A 51 14.593 -0.944 10.010 1.00 0.00 O ATOM 731 CB SER A 51 14.464 -2.360 12.907 1.00 0.00 C ATOM 732 OG SER A 51 13.687 -2.899 13.965 1.00 0.00 O ATOM 0 H SER A 51 12.665 -2.319 10.801 1.00 0.00 H new ATOM 0 HA SER A 51 13.486 -0.467 12.988 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.684 -3.139 12.177 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.420 -2.007 13.294 1.00 0.00 H new ATOM 0 HG SER A 51 12.833 -3.223 13.611 1.00 0.00 H new ATOM 738 N VAL A 52 15.308 0.514 11.570 1.00 0.00 N ATOM 739 CA VAL A 52 16.278 1.209 10.737 1.00 0.00 C ATOM 740 C VAL A 52 17.623 0.559 11.054 1.00 0.00 C ATOM 741 O VAL A 52 17.931 0.313 12.223 1.00 0.00 O ATOM 742 CB VAL A 52 16.248 2.719 11.048 1.00 0.00 C ATOM 743 CG1 VAL A 52 17.273 3.492 10.203 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.854 3.313 10.778 1.00 0.00 C ATOM 0 H VAL A 52 15.230 0.908 12.508 1.00 0.00 H new ATOM 0 HA VAL A 52 16.066 1.126 9.671 1.00 0.00 H new ATOM 0 HB VAL A 52 16.498 2.822 12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.222 4.552 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.275 3.118 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.050 3.355 9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.862 4.379 11.006 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.594 3.168 9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.117 2.813 11.407 1.00 0.00 H new ATOM 754 N THR A 53 18.421 0.227 10.044 1.00 0.00 N ATOM 755 CA THR A 53 19.601 -0.590 10.267 1.00 0.00 C ATOM 756 C THR A 53 20.643 -0.288 9.185 1.00 0.00 C ATOM 757 O THR A 53 20.574 -0.790 8.062 1.00 0.00 O ATOM 758 CB THR A 53 19.136 -2.056 10.446 1.00 0.00 C ATOM 759 OG1 THR A 53 20.208 -2.972 10.394 1.00 0.00 O ATOM 760 CG2 THR A 53 18.046 -2.505 9.461 1.00 0.00 C ATOM 0 H THR A 53 18.272 0.509 9.075 1.00 0.00 H new ATOM 0 HA THR A 53 20.136 -0.358 11.188 1.00 0.00 H new ATOM 0 HB THR A 53 18.696 -2.063 11.443 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.358 -3.351 11.285 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.782 -3.544 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.164 -1.876 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.418 -2.414 8.440 1.00 0.00 H new ATOM 768 N THR A 54 21.610 0.572 9.510 1.00 0.00 N ATOM 769 CA THR A 54 22.584 1.091 8.558 1.00 0.00 C ATOM 770 C THR A 54 23.980 0.662 9.001 1.00 0.00 C ATOM 771 O THR A 54 24.317 0.773 10.183 1.00 0.00 O ATOM 772 CB THR A 54 22.432 2.620 8.471 1.00 0.00 C ATOM 773 OG1 THR A 54 21.121 2.947 8.042 1.00 0.00 O ATOM 774 CG2 THR A 54 23.429 3.266 7.503 1.00 0.00 C ATOM 0 H THR A 54 21.737 0.930 10.456 1.00 0.00 H new ATOM 0 HA THR A 54 22.418 0.689 7.558 1.00 0.00 H new ATOM 0 HB THR A 54 22.632 3.008 9.470 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.027 3.921 7.989 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.272 4.345 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.446 3.053 7.832 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.279 2.861 6.502 1.00 0.00 H new ATOM 782 N ASP A 55 24.789 0.199 8.043 1.00 0.00 N ATOM 783 CA ASP A 55 26.126 -0.364 8.247 1.00 0.00 C ATOM 784 C ASP A 55 26.142 -1.409 9.374 1.00 0.00 C ATOM 785 O ASP A 55 27.081 -1.482 10.168 1.00 0.00 O ATOM 786 CB ASP A 55 27.151 0.769 8.424 1.00 0.00 C ATOM 787 CG ASP A 55 28.599 0.255 8.402 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.966 -0.449 7.434 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.400 0.632 9.289 1.00 0.00 O ATOM 0 H ASP A 55 24.517 0.207 7.060 1.00 0.00 H new ATOM 0 HA ASP A 55 26.422 -0.918 7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.017 1.504 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.964 1.281 9.368 1.00 0.00 H new ATOM 794 N CYS A 56 25.060 -2.184 9.498 1.00 0.00 N ATOM 795 CA CYS A 56 24.850 -3.094 10.612 1.00 0.00 C ATOM 796 C CYS A 56 25.364 -4.481 10.217 1.00 0.00 C ATOM 797 O CYS A 56 25.477 -4.775 9.025 1.00 0.00 O ATOM 798 CB CYS A 56 23.359 -3.126 10.972 1.00 0.00 C ATOM 799 SG CYS A 56 23.020 -3.597 12.691 1.00 0.00 S ATOM 0 H CYS A 56 24.301 -2.192 8.817 1.00 0.00 H new ATOM 0 HA CYS A 56 25.398 -2.759 11.492 1.00 0.00 H new ATOM 0 HB2 CYS A 56 22.930 -2.141 10.785 1.00 0.00 H new ATOM 0 HB3 CYS A 56 22.851 -3.826 10.308 1.00 0.00 H new ATOM 804 N ASN A 57 25.618 -5.366 11.182 1.00 0.00 N ATOM 805 CA ASN A 57 25.938 -6.764 10.909 1.00 0.00 C ATOM 806 C ASN A 57 25.194 -7.576 11.946 1.00 0.00 C ATOM 807 O ASN A 57 25.514 -7.473 13.126 1.00 0.00 O ATOM 808 CB ASN A 57 27.450 -7.015 10.989 1.00 0.00 C ATOM 809 CG ASN A 57 27.776 -8.505 10.882 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.053 -9.275 10.257 1.00 0.00 O ATOM 811 ND2 ASN A 57 28.868 -8.946 11.482 1.00 0.00 N ATOM 0 H ASN A 57 25.607 -5.132 12.175 1.00 0.00 H new ATOM 0 HA ASN A 57 25.639 -7.045 9.899 1.00 0.00 H new ATOM 0 HB2 ASN A 57 27.953 -6.473 10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.836 -6.624 11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 57 29.116 -9.934 11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 57 29.463 -8.298 11.999 1.00 0.00 H new ATOM 818 N ILE A 58 24.196 -8.347 11.536 1.00 0.00 N ATOM 819 CA ILE A 58 23.269 -8.989 12.454 1.00 0.00 C ATOM 820 C ILE A 58 23.340 -10.486 12.214 1.00 0.00 C ATOM 821 O ILE A 58 22.990 -10.947 11.128 1.00 0.00 O ATOM 822 CB ILE A 58 21.848 -8.408 12.245 1.00 0.00 C ATOM 823 CG1 ILE A 58 21.884 -6.862 12.320 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.872 -9.026 13.262 1.00 0.00 C ATOM 825 CD1 ILE A 58 20.526 -6.178 12.468 1.00 0.00 C ATOM 0 H ILE A 58 24.007 -8.545 10.553 1.00 0.00 H new ATOM 0 HA ILE A 58 23.531 -8.798 13.495 1.00 0.00 H new ATOM 0 HB ILE A 58 21.487 -8.670 11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.511 -6.571 13.163 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.366 -6.483 11.418 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.876 -8.612 13.108 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.841 -10.107 13.126 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.207 -8.797 14.274 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.665 -5.098 12.511 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.897 -6.429 11.614 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.045 -6.518 13.385 1.00 0.00 H new ATOM 837 N ASP A 59 23.764 -11.245 13.226 1.00 0.00 N ATOM 838 CA ASP A 59 23.871 -12.699 13.124 1.00 0.00 C ATOM 839 C ASP A 59 22.958 -13.363 14.149 1.00 0.00 C ATOM 840 O ASP A 59 22.980 -12.985 15.323 1.00 0.00 O ATOM 841 CB ASP A 59 25.328 -13.124 13.317 1.00 0.00 C ATOM 842 CG ASP A 59 25.475 -14.635 13.100 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.724 -15.057 11.949 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.356 -15.400 14.078 1.00 0.00 O ATOM 0 H ASP A 59 24.041 -10.871 14.134 1.00 0.00 H new ATOM 0 HA ASP A 59 23.551 -13.021 12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.967 -12.585 12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.661 -12.860 14.321 1.00 0.00 H new ATOM 849 N LYS A 60 22.142 -14.331 13.714 1.00 0.00 N ATOM 850 CA LYS A 60 21.243 -15.143 14.549 1.00 0.00 C ATOM 851 C LYS A 60 20.511 -14.338 15.635 1.00 0.00 C ATOM 852 O LYS A 60 20.426 -14.776 16.783 1.00 0.00 O ATOM 853 CB LYS A 60 21.996 -16.367 15.113 1.00 0.00 C ATOM 854 CG LYS A 60 22.474 -17.333 14.016 1.00 0.00 C ATOM 855 CD LYS A 60 23.013 -18.660 14.579 1.00 0.00 C ATOM 856 CE LYS A 60 24.174 -18.524 15.579 1.00 0.00 C ATOM 857 NZ LYS A 60 25.412 -17.991 14.963 1.00 0.00 N ATOM 0 H LYS A 60 22.087 -14.582 12.727 1.00 0.00 H new ATOM 0 HA LYS A 60 20.444 -15.506 13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.856 -16.025 15.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.344 -16.903 15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 60 21.647 -17.542 13.337 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.255 -16.850 13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 60 22.194 -19.188 15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.342 -19.282 13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 60 23.869 -17.867 16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 60 24.384 -19.500 16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 26.228 -18.231 15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 25.539 -18.410 14.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.339 -16.957 14.876 1.00 0.00 H new ATOM 871 N SER A 61 19.993 -13.158 15.289 1.00 0.00 N ATOM 872 CA SER A 61 19.366 -12.239 16.234 1.00 0.00 C ATOM 873 C SER A 61 17.965 -11.859 15.754 1.00 0.00 C ATOM 874 O SER A 61 17.606 -12.106 14.596 1.00 0.00 O ATOM 875 CB SER A 61 20.246 -10.993 16.390 1.00 0.00 C ATOM 876 OG SER A 61 21.538 -11.315 16.872 1.00 0.00 O ATOM 0 H SER A 61 19.999 -12.811 14.330 1.00 0.00 H new ATOM 0 HA SER A 61 19.268 -12.726 17.204 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.333 -10.488 15.428 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.767 -10.294 17.075 1.00 0.00 H new ATOM 0 HG SER A 61 22.015 -11.846 16.200 1.00 0.00 H new ATOM 882 N GLN A 62 17.186 -11.214 16.628 1.00 0.00 N ATOM 883 CA GLN A 62 15.900 -10.639 16.270 1.00 0.00 C ATOM 884 C GLN A 62 15.855 -9.180 16.719 1.00 0.00 C ATOM 885 O GLN A 62 16.351 -8.831 17.792 1.00 0.00 O ATOM 886 CB GLN A 62 14.747 -11.491 16.813 1.00 0.00 C ATOM 887 CG GLN A 62 13.426 -11.078 16.146 1.00 0.00 C ATOM 888 CD GLN A 62 12.322 -12.111 16.367 1.00 0.00 C ATOM 889 OE1 GLN A 62 11.964 -12.849 15.453 1.00 0.00 O ATOM 890 NE2 GLN A 62 11.756 -12.188 17.562 1.00 0.00 N ATOM 0 H GLN A 62 17.438 -11.079 17.607 1.00 0.00 H new ATOM 0 HA GLN A 62 15.775 -10.644 15.187 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.944 -12.546 16.625 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.672 -11.369 17.894 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.105 -10.115 16.544 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.587 -10.944 15.076 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.063 -11.569 18.312 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.013 -12.866 17.732 1.00 0.00 H new ATOM 899 N VAL A 63 15.249 -8.334 15.890 1.00 0.00 N ATOM 900 CA VAL A 63 15.289 -6.886 16.009 1.00 0.00 C ATOM 901 C VAL A 63 13.880 -6.357 15.739 1.00 0.00 C ATOM 902 O VAL A 63 13.258 -6.760 14.752 1.00 0.00 O ATOM 903 CB VAL A 63 16.302 -6.365 14.964 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.496 -4.849 15.033 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.677 -7.044 15.065 1.00 0.00 C ATOM 0 H VAL A 63 14.699 -8.652 15.092 1.00 0.00 H new ATOM 0 HA VAL A 63 15.600 -6.554 16.999 1.00 0.00 H new ATOM 0 HB VAL A 63 15.855 -6.624 14.004 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.218 -4.540 14.277 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.543 -4.352 14.850 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.865 -4.574 16.021 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.342 -6.634 14.305 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.100 -6.863 16.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.565 -8.117 14.909 1.00 0.00 H new ATOM 915 N TYR A 64 13.380 -5.453 16.583 1.00 0.00 N ATOM 916 CA TYR A 64 12.056 -4.860 16.434 1.00 0.00 C ATOM 917 C TYR A 64 12.117 -3.384 16.821 1.00 0.00 C ATOM 918 O TYR A 64 12.705 -3.061 17.854 1.00 0.00 O ATOM 919 CB TYR A 64 11.068 -5.631 17.324 1.00 0.00 C ATOM 920 CG TYR A 64 9.633 -5.123 17.338 1.00 0.00 C ATOM 921 CD1 TYR A 64 8.959 -4.830 16.136 1.00 0.00 C ATOM 922 CD2 TYR A 64 8.951 -4.989 18.564 1.00 0.00 C ATOM 923 CE1 TYR A 64 7.614 -4.420 16.152 1.00 0.00 C ATOM 924 CE2 TYR A 64 7.607 -4.575 18.592 1.00 0.00 C ATOM 925 CZ TYR A 64 6.930 -4.290 17.382 1.00 0.00 C ATOM 926 OH TYR A 64 5.626 -3.893 17.387 1.00 0.00 O ATOM 0 H TYR A 64 13.891 -5.110 17.397 1.00 0.00 H new ATOM 0 HA TYR A 64 11.718 -4.925 15.400 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.059 -6.672 17.002 1.00 0.00 H new ATOM 0 HB3 TYR A 64 11.446 -5.617 18.346 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.480 -4.921 15.194 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.464 -5.206 19.489 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.104 -4.205 15.225 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.092 -4.475 19.536 1.00 0.00 H new ATOM 0 HH TYR A 64 5.300 -3.854 18.310 1.00 0.00 H new ATOM 936 N LEU A 65 11.504 -2.491 16.030 1.00 0.00 N ATOM 937 CA LEU A 65 11.411 -1.042 16.296 1.00 0.00 C ATOM 938 C LEU A 65 12.758 -0.377 16.653 1.00 0.00 C ATOM 939 O LEU A 65 12.782 0.662 17.317 1.00 0.00 O ATOM 940 CB LEU A 65 10.325 -0.763 17.362 1.00 0.00 C ATOM 941 CG LEU A 65 8.881 -1.026 16.899 1.00 0.00 C ATOM 942 CD1 LEU A 65 7.931 -0.930 18.098 1.00 0.00 C ATOM 943 CD2 LEU A 65 8.420 -0.033 15.823 1.00 0.00 C ATOM 0 H LEU A 65 11.044 -2.762 15.161 1.00 0.00 H new ATOM 0 HA LEU A 65 11.115 -0.572 15.358 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.529 -1.380 18.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.406 0.277 17.679 1.00 0.00 H new ATOM 0 HG LEU A 65 8.860 -2.026 16.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.909 -1.116 17.768 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.212 -1.672 18.845 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.995 0.067 18.534 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.395 -0.262 15.531 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.466 0.981 16.220 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.071 -0.111 14.952 1.00 0.00 H new ATOM 955 N THR A 66 13.882 -0.948 16.227 1.00 0.00 N ATOM 956 CA THR A 66 15.214 -0.554 16.675 1.00 0.00 C ATOM 957 C THR A 66 15.942 0.261 15.592 1.00 0.00 C ATOM 958 O THR A 66 15.528 0.284 14.430 1.00 0.00 O ATOM 959 CB THR A 66 15.909 -1.850 17.137 1.00 0.00 C ATOM 960 OG1 THR A 66 15.291 -2.267 18.344 1.00 0.00 O ATOM 961 CG2 THR A 66 17.418 -1.801 17.392 1.00 0.00 C ATOM 0 H THR A 66 13.892 -1.710 15.549 1.00 0.00 H new ATOM 0 HA THR A 66 15.200 0.136 17.519 1.00 0.00 H new ATOM 0 HB THR A 66 15.793 -2.530 16.293 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.340 -2.440 18.182 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.765 -2.784 17.710 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.933 -1.514 16.475 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.632 -1.070 18.172 1.00 0.00 H new ATOM 969 N THR A 67 17.021 0.946 15.976 1.00 0.00 N ATOM 970 CA THR A 67 17.831 1.801 15.121 1.00 0.00 C ATOM 971 C THR A 67 19.299 1.379 15.283 1.00 0.00 C ATOM 972 O THR A 67 19.970 1.806 16.224 1.00 0.00 O ATOM 973 CB THR A 67 17.569 3.278 15.477 1.00 0.00 C ATOM 974 OG1 THR A 67 16.185 3.572 15.395 1.00 0.00 O ATOM 975 CG2 THR A 67 18.305 4.242 14.538 1.00 0.00 C ATOM 0 H THR A 67 17.365 0.915 16.936 1.00 0.00 H new ATOM 0 HA THR A 67 17.570 1.692 14.068 1.00 0.00 H new ATOM 0 HB THR A 67 17.938 3.416 16.493 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.036 4.513 15.626 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.089 5.270 14.829 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.378 4.065 14.603 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.971 4.078 13.513 1.00 0.00 H new ATOM 983 N CYS A 68 19.794 0.514 14.391 1.00 0.00 N ATOM 984 CA CYS A 68 21.206 0.148 14.342 1.00 0.00 C ATOM 985 C CYS A 68 21.939 1.150 13.453 1.00 0.00 C ATOM 986 O CYS A 68 21.508 1.389 12.320 1.00 0.00 O ATOM 987 CB CYS A 68 21.384 -1.268 13.775 1.00 0.00 C ATOM 988 SG CYS A 68 23.103 -1.852 13.737 1.00 0.00 S ATOM 0 H CYS A 68 19.223 0.050 13.684 1.00 0.00 H new ATOM 0 HA CYS A 68 21.615 0.165 15.352 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.791 -1.962 14.371 1.00 0.00 H new ATOM 0 HB3 CYS A 68 20.982 -1.294 12.762 1.00 0.00 H new ATOM 993 N THR A 69 23.068 1.677 13.927 1.00 0.00 N ATOM 994 CA THR A 69 23.912 2.592 13.177 1.00 0.00 C ATOM 995 C THR A 69 25.369 2.174 13.403 1.00 0.00 C ATOM 996 O THR A 69 25.981 2.522 14.414 1.00 0.00 O ATOM 997 CB THR A 69 23.634 4.045 13.621 1.00 0.00 C ATOM 998 OG1 THR A 69 22.243 4.319 13.675 1.00 0.00 O ATOM 999 CG2 THR A 69 24.271 5.057 12.663 1.00 0.00 C ATOM 0 H THR A 69 23.424 1.473 14.861 1.00 0.00 H new ATOM 0 HA THR A 69 23.699 2.549 12.109 1.00 0.00 H new ATOM 0 HB THR A 69 24.071 4.144 14.615 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.103 5.246 13.961 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.055 6.069 13.006 1.00 0.00 H new ATOM 0 HG22 THR A 69 25.350 4.905 12.638 1.00 0.00 H new ATOM 0 HG23 THR A 69 23.862 4.918 11.662 1.00 0.00 H new ATOM 1007 N GLY A 70 25.937 1.419 12.459 1.00 0.00 N ATOM 1008 CA GLY A 70 27.337 1.022 12.512 1.00 0.00 C ATOM 1009 C GLY A 70 27.636 0.100 13.694 1.00 0.00 C ATOM 1010 O GLY A 70 28.681 0.257 14.328 1.00 0.00 O ATOM 0 H GLY A 70 25.437 1.069 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 70 27.604 0.517 11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 70 27.962 1.912 12.582 1.00 0.00 H new ATOM 1014 N SER A 71 26.736 -0.837 14.007 1.00 0.00 N ATOM 1015 CA SER A 71 26.889 -1.767 15.121 1.00 0.00 C ATOM 1016 C SER A 71 26.734 -3.213 14.643 1.00 0.00 C ATOM 1017 O SER A 71 26.291 -3.471 13.523 1.00 0.00 O ATOM 1018 CB SER A 71 25.892 -1.434 16.240 1.00 0.00 C ATOM 1019 OG SER A 71 26.140 -0.150 16.778 1.00 0.00 O ATOM 0 H SER A 71 25.870 -0.970 13.484 1.00 0.00 H new ATOM 0 HA SER A 71 27.894 -1.661 15.529 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.875 -1.478 15.850 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.963 -2.182 17.029 1.00 0.00 H new ATOM 0 HG SER A 71 26.201 -0.211 17.754 1.00 0.00 H new ATOM 1025 N GLN A 72 27.101 -4.165 15.497 1.00 0.00 N ATOM 1026 CA GLN A 72 27.094 -5.587 15.195 1.00 0.00 C ATOM 1027 C GLN A 72 26.321 -6.304 16.296 1.00 0.00 C ATOM 1028 O GLN A 72 26.541 -6.024 17.477 1.00 0.00 O ATOM 1029 CB GLN A 72 28.550 -6.066 15.034 1.00 0.00 C ATOM 1030 CG GLN A 72 28.751 -7.593 15.072 1.00 0.00 C ATOM 1031 CD GLN A 72 28.867 -8.146 16.500 1.00 0.00 C ATOM 1032 OE1 GLN A 72 29.608 -7.624 17.327 1.00 0.00 O ATOM 1033 NE2 GLN A 72 28.152 -9.205 16.834 1.00 0.00 N ATOM 0 H GLN A 72 27.420 -3.959 16.444 1.00 0.00 H new ATOM 0 HA GLN A 72 26.590 -5.811 14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 72 28.936 -5.689 14.087 1.00 0.00 H new ATOM 0 HB3 GLN A 72 29.152 -5.618 15.824 1.00 0.00 H new ATOM 0 HG2 GLN A 72 27.915 -8.077 14.567 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.652 -7.850 14.514 1.00 0.00 H new ATOM 0 HE21 GLN A 72 27.535 -9.641 16.148 1.00 0.00 H new ATOM 0 HE22 GLN A 72 28.217 -9.587 17.778 1.00 0.00 H new ATOM 1042 N TYR A 73 25.448 -7.237 15.910 1.00 0.00 N ATOM 1043 CA TYR A 73 24.650 -8.056 16.811 1.00 0.00 C ATOM 1044 C TYR A 73 25.006 -9.517 16.532 1.00 0.00 C ATOM 1045 O TYR A 73 25.201 -9.890 15.373 1.00 0.00 O ATOM 1046 CB TYR A 73 23.149 -7.858 16.549 1.00 0.00 C ATOM 1047 CG TYR A 73 22.529 -6.469 16.663 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.171 -5.388 17.304 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.242 -6.278 16.126 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.561 -4.122 17.347 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.621 -5.020 16.171 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.281 -3.932 16.777 1.00 0.00 C ATOM 1053 OH TYR A 73 20.658 -2.725 16.813 1.00 0.00 O ATOM 0 H TYR A 73 25.275 -7.447 14.927 1.00 0.00 H new ATOM 0 HA TYR A 73 24.858 -7.776 17.844 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.946 -8.221 15.542 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.612 -8.510 17.238 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.137 -5.534 17.764 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.725 -7.111 15.673 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.071 -3.293 17.816 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.639 -4.886 15.742 1.00 0.00 H new ATOM 0 HH TYR A 73 21.260 -2.057 17.203 1.00 0.00 H new ATOM 1063 N ASN A 74 25.082 -10.356 17.562 1.00 0.00 N ATOM 1064 CA ASN A 74 25.203 -11.805 17.435 1.00 0.00 C ATOM 1065 C ASN A 74 24.396 -12.443 18.561 1.00 0.00 C ATOM 1066 O ASN A 74 24.710 -12.210 19.727 1.00 0.00 O ATOM 1067 CB ASN A 74 26.677 -12.242 17.515 1.00 0.00 C ATOM 1068 CG ASN A 74 26.835 -13.743 17.768 1.00 0.00 C ATOM 1069 OD1 ASN A 74 26.956 -14.524 16.833 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.861 -14.190 19.016 1.00 0.00 N ATOM 0 H ASN A 74 25.061 -10.039 18.531 1.00 0.00 H new ATOM 0 HA ASN A 74 24.821 -12.126 16.466 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.181 -11.980 16.585 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.173 -11.689 18.313 1.00 0.00 H new ATOM 0 HD21 ASN A 74 26.982 -15.186 19.198 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.760 -13.538 19.794 1.00 0.00 H new ATOM 1077 N GLY A 75 23.405 -13.272 18.237 1.00 0.00 N ATOM 1078 CA GLY A 75 22.645 -14.018 19.232 1.00 0.00 C ATOM 1079 C GLY A 75 21.904 -13.119 20.224 1.00 0.00 C ATOM 1080 O GLY A 75 21.967 -13.390 21.428 1.00 0.00 O ATOM 0 H GLY A 75 23.108 -13.444 17.276 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.924 -14.659 18.724 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.322 -14.673 19.781 1.00 0.00 H new ATOM 1084 N ILE A 76 21.238 -12.052 19.762 1.00 0.00 N ATOM 1085 CA ILE A 76 20.537 -11.106 20.636 1.00 0.00 C ATOM 1086 C ILE A 76 19.060 -10.969 20.250 1.00 0.00 C ATOM 1087 O ILE A 76 18.643 -11.341 19.152 1.00 0.00 O ATOM 1088 CB ILE A 76 21.258 -9.727 20.717 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.802 -8.703 19.648 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.793 -9.870 20.695 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.435 -7.316 19.814 1.00 0.00 C ATOM 0 H ILE A 76 21.171 -11.822 18.771 1.00 0.00 H new ATOM 0 HA ILE A 76 20.566 -11.523 21.643 1.00 0.00 H new ATOM 0 HB ILE A 76 20.954 -9.323 21.682 1.00 0.00 H new ATOM 0 HG12 ILE A 76 21.049 -9.089 18.659 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.717 -8.605 19.691 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.251 -8.883 20.753 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.115 -10.470 21.546 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.100 -10.358 19.770 1.00 0.00 H new ATOM 0 HD11 ILE A 76 21.069 -6.653 19.030 1.00 0.00 H new ATOM 0 HD12 ILE A 76 21.167 -6.908 20.789 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.519 -7.400 19.741 1.00 0.00 H new ATOM 1103 N TYR A 77 18.288 -10.351 21.138 1.00 0.00 N ATOM 1104 CA TYR A 77 16.922 -9.912 20.921 1.00 0.00 C ATOM 1105 C TYR A 77 16.929 -8.441 21.318 1.00 0.00 C ATOM 1106 O TYR A 77 17.382 -8.126 22.420 1.00 0.00 O ATOM 1107 CB TYR A 77 15.957 -10.728 21.797 1.00 0.00 C ATOM 1108 CG TYR A 77 15.995 -12.225 21.542 1.00 0.00 C ATOM 1109 CD1 TYR A 77 16.896 -13.039 22.256 1.00 0.00 C ATOM 1110 CD2 TYR A 77 15.144 -12.802 20.581 1.00 0.00 C ATOM 1111 CE1 TYR A 77 16.961 -14.421 21.999 1.00 0.00 C ATOM 1112 CE2 TYR A 77 15.201 -14.183 20.318 1.00 0.00 C ATOM 1113 CZ TYR A 77 16.116 -14.999 21.025 1.00 0.00 C ATOM 1114 OH TYR A 77 16.187 -16.339 20.783 1.00 0.00 O ATOM 0 H TYR A 77 18.620 -10.133 22.077 1.00 0.00 H new ATOM 0 HA TYR A 77 16.588 -10.051 19.893 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.192 -10.544 22.845 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.942 -10.369 21.630 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.540 -12.600 23.004 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.443 -12.181 20.042 1.00 0.00 H new ATOM 0 HE1 TYR A 77 17.657 -15.040 22.546 1.00 0.00 H new ATOM 0 HE2 TYR A 77 14.547 -14.620 19.578 1.00 0.00 H new ATOM 0 HH TYR A 77 15.541 -16.580 20.087 1.00 0.00 H new ATOM 1124 N ILE A 78 16.483 -7.532 20.450 1.00 0.00 N ATOM 1125 CA ILE A 78 16.536 -6.098 20.729 1.00 0.00 C ATOM 1126 C ILE A 78 15.237 -5.427 20.277 1.00 0.00 C ATOM 1127 O ILE A 78 14.727 -5.717 19.191 1.00 0.00 O ATOM 1128 CB ILE A 78 17.836 -5.480 20.168 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.894 -3.977 20.508 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.019 -5.730 18.664 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.290 -3.365 20.351 1.00 0.00 C ATOM 0 H ILE A 78 16.079 -7.766 19.543 1.00 0.00 H new ATOM 0 HA ILE A 78 16.591 -5.918 21.803 1.00 0.00 H new ATOM 0 HB ILE A 78 18.673 -5.983 20.652 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.197 -3.440 19.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.556 -3.832 21.534 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.950 -5.272 18.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.055 -6.803 18.475 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.183 -5.293 18.118 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.254 -2.306 20.607 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.988 -3.875 21.015 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.623 -3.478 19.319 1.00 0.00 H new ATOM 1143 N ARG A 79 14.684 -4.556 21.133 1.00 0.00 N ATOM 1144 CA ARG A 79 13.346 -3.997 20.964 1.00 0.00 C ATOM 1145 C ARG A 79 13.385 -2.506 21.239 1.00 0.00 C ATOM 1146 O ARG A 79 13.896 -2.101 22.287 1.00 0.00 O ATOM 1147 CB ARG A 79 12.358 -4.661 21.951 1.00 0.00 C ATOM 1148 CG ARG A 79 12.513 -6.183 22.065 1.00 0.00 C ATOM 1149 CD ARG A 79 11.519 -6.786 23.061 1.00 0.00 C ATOM 1150 NE ARG A 79 11.793 -8.217 23.286 1.00 0.00 N ATOM 1151 CZ ARG A 79 12.768 -8.730 24.050 1.00 0.00 C ATOM 1152 NH1 ARG A 79 13.604 -7.941 24.724 1.00 0.00 N ATOM 1153 NH2 ARG A 79 12.907 -10.050 24.133 1.00 0.00 N ATOM 0 H ARG A 79 15.162 -4.220 21.969 1.00 0.00 H new ATOM 0 HA ARG A 79 13.015 -4.184 19.942 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.494 -4.218 22.938 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.339 -4.433 21.637 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.366 -6.637 21.085 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.530 -6.422 22.377 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.577 -6.249 24.008 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.503 -6.662 22.686 1.00 0.00 H new ATOM 0 HE ARG A 79 11.181 -8.882 22.814 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.509 -6.927 24.664 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.339 -8.351 25.300 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.275 -10.663 23.618 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.646 -10.450 24.712 1.00 0.00 H new ATOM 1167 N SER A 80 12.802 -1.698 20.357 1.00 0.00 N ATOM 1168 CA SER A 80 12.566 -0.274 20.576 1.00 0.00 C ATOM 1169 C SER A 80 13.823 0.484 21.045 1.00 0.00 C ATOM 1170 O SER A 80 13.721 1.399 21.867 1.00 0.00 O ATOM 1171 CB SER A 80 11.383 -0.137 21.546 1.00 0.00 C ATOM 1172 OG SER A 80 10.259 -0.871 21.076 1.00 0.00 O ATOM 0 H SER A 80 12.473 -2.024 19.448 1.00 0.00 H new ATOM 0 HA SER A 80 12.316 0.202 19.628 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.672 -0.498 22.533 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.117 0.914 21.656 1.00 0.00 H new ATOM 0 HG SER A 80 9.517 -0.773 21.708 1.00 0.00 H new ATOM 1178 N SER A 81 15.006 0.096 20.559 1.00 0.00 N ATOM 1179 CA SER A 81 16.290 0.567 21.072 1.00 0.00 C ATOM 1180 C SER A 81 17.141 1.214 19.973 1.00 0.00 C ATOM 1181 O SER A 81 16.770 1.202 18.799 1.00 0.00 O ATOM 1182 CB SER A 81 17.009 -0.623 21.719 1.00 0.00 C ATOM 1183 OG SER A 81 16.303 -1.072 22.861 1.00 0.00 O ATOM 0 H SER A 81 15.097 -0.564 19.787 1.00 0.00 H new ATOM 0 HA SER A 81 16.123 1.346 21.816 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.099 -1.436 20.998 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.021 -0.333 22.001 1.00 0.00 H new ATOM 0 HG SER A 81 15.354 -1.178 22.639 1.00 0.00 H new ATOM 1189 N THR A 82 18.294 1.770 20.337 1.00 0.00 N ATOM 1190 CA THR A 82 19.232 2.390 19.407 1.00 0.00 C ATOM 1191 C THR A 82 20.640 1.917 19.772 1.00 0.00 C ATOM 1192 O THR A 82 20.976 1.832 20.955 1.00 0.00 O ATOM 1193 CB THR A 82 19.083 3.922 19.485 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.753 4.313 19.191 1.00 0.00 O ATOM 1195 CG2 THR A 82 20.007 4.665 18.513 1.00 0.00 C ATOM 0 H THR A 82 18.608 1.802 21.307 1.00 0.00 H new ATOM 0 HA THR A 82 19.030 2.101 18.376 1.00 0.00 H new ATOM 0 HB THR A 82 19.357 4.189 20.506 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.679 5.289 19.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.855 5.739 18.616 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.045 4.422 18.740 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.779 4.363 17.491 1.00 0.00 H new ATOM 1203 N THR A 83 21.471 1.618 18.776 1.00 0.00 N ATOM 1204 CA THR A 83 22.825 1.122 18.984 1.00 0.00 C ATOM 1205 C THR A 83 23.740 1.835 17.988 1.00 0.00 C ATOM 1206 O THR A 83 23.442 1.850 16.789 1.00 0.00 O ATOM 1207 CB THR A 83 22.854 -0.409 18.830 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.312 -0.798 17.589 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.060 -1.130 19.924 1.00 0.00 C ATOM 0 H THR A 83 21.218 1.715 17.793 1.00 0.00 H new ATOM 0 HA THR A 83 23.177 1.334 19.993 1.00 0.00 H new ATOM 0 HB THR A 83 23.904 -0.692 18.906 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.935 -1.403 17.135 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.116 -2.207 19.764 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.480 -0.885 20.900 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.018 -0.811 19.887 1.00 0.00 H new ATOM 1217 N THR A 84 24.824 2.438 18.480 1.00 0.00 N ATOM 1218 CA THR A 84 25.667 3.326 17.695 1.00 0.00 C ATOM 1219 C THR A 84 27.135 3.012 17.985 1.00 0.00 C ATOM 1220 O THR A 84 27.658 3.365 19.048 1.00 0.00 O ATOM 1221 CB THR A 84 25.304 4.793 17.999 1.00 0.00 C ATOM 1222 OG1 THR A 84 23.904 5.008 17.931 1.00 0.00 O ATOM 1223 CG2 THR A 84 25.972 5.754 17.009 1.00 0.00 C ATOM 0 H THR A 84 25.139 2.319 19.443 1.00 0.00 H new ATOM 0 HA THR A 84 25.500 3.170 16.629 1.00 0.00 H new ATOM 0 HB THR A 84 25.662 4.989 19.009 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.707 5.947 18.130 1.00 0.00 H new ATOM 0 HG21 THR A 84 25.694 6.779 17.253 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.055 5.647 17.072 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.643 5.520 15.997 1.00 0.00 H new ATOM 1231 N GLY A 85 27.814 2.364 17.036 1.00 0.00 N ATOM 1232 CA GLY A 85 29.226 2.036 17.163 1.00 0.00 C ATOM 1233 C GLY A 85 29.456 1.047 18.301 1.00 0.00 C ATOM 1234 O GLY A 85 30.248 1.319 19.208 1.00 0.00 O ATOM 0 H GLY A 85 27.395 2.054 16.159 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.590 1.611 16.228 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.799 2.945 17.345 1.00 0.00 H new ATOM 1238 N THR A 86 28.754 -0.082 18.281 1.00 0.00 N ATOM 1239 CA THR A 86 28.765 -1.074 19.349 1.00 0.00 C ATOM 1240 C THR A 86 28.863 -2.490 18.772 1.00 0.00 C ATOM 1241 O THR A 86 28.537 -2.734 17.607 1.00 0.00 O ATOM 1242 CB THR A 86 27.502 -0.900 20.217 1.00 0.00 C ATOM 1243 OG1 THR A 86 26.338 -0.719 19.429 1.00 0.00 O ATOM 1244 CG2 THR A 86 27.598 0.309 21.139 1.00 0.00 C ATOM 0 H THR A 86 28.147 -0.338 17.502 1.00 0.00 H new ATOM 0 HA THR A 86 29.642 -0.923 19.978 1.00 0.00 H new ATOM 0 HB THR A 86 27.433 -1.818 20.800 1.00 0.00 H new ATOM 0 HG1 THR A 86 25.764 -0.041 19.844 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.685 0.390 21.730 1.00 0.00 H new ATOM 0 HG22 THR A 86 28.452 0.191 21.806 1.00 0.00 H new ATOM 0 HG23 THR A 86 27.725 1.212 20.542 1.00 0.00 H new ATOM 1252 N SER A 87 29.273 -3.437 19.609 1.00 0.00 N ATOM 1253 CA SER A 87 29.392 -4.849 19.287 1.00 0.00 C ATOM 1254 C SER A 87 28.690 -5.580 20.423 1.00 0.00 C ATOM 1255 O SER A 87 29.048 -5.371 21.581 1.00 0.00 O ATOM 1256 CB SER A 87 30.881 -5.217 19.207 1.00 0.00 C ATOM 1257 OG SER A 87 31.554 -4.431 18.232 1.00 0.00 O ATOM 0 H SER A 87 29.542 -3.230 20.571 1.00 0.00 H new ATOM 0 HA SER A 87 28.945 -5.113 18.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.347 -5.070 20.181 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.984 -6.274 18.960 1.00 0.00 H new ATOM 0 HG SER A 87 32.500 -4.685 18.203 1.00 0.00 H new ATOM 1263 N ILE A 88 27.664 -6.375 20.127 1.00 0.00 N ATOM 1264 CA ILE A 88 26.769 -6.971 21.112 1.00 0.00 C ATOM 1265 C ILE A 88 26.657 -8.434 20.695 1.00 0.00 C ATOM 1266 O ILE A 88 26.101 -8.713 19.632 1.00 0.00 O ATOM 1267 CB ILE A 88 25.393 -6.247 21.113 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.507 -4.701 21.088 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.561 -6.715 22.321 1.00 0.00 C ATOM 1270 CD1 ILE A 88 24.162 -3.968 21.132 1.00 0.00 C ATOM 0 H ILE A 88 27.427 -6.628 19.168 1.00 0.00 H new ATOM 0 HA ILE A 88 27.140 -6.880 22.133 1.00 0.00 H new ATOM 0 HB ILE A 88 24.889 -6.522 20.187 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.111 -4.379 21.937 1.00 0.00 H new ATOM 0 HG13 ILE A 88 26.041 -4.402 20.186 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.597 -6.206 22.318 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.402 -7.792 22.258 1.00 0.00 H new ATOM 0 HG23 ILE A 88 25.093 -6.480 23.243 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.333 -2.892 21.111 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.562 -4.257 20.269 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.633 -4.233 22.047 1.00 0.00 H new ATOM 1282 N SER A 89 27.174 -9.366 21.502 1.00 0.00 N ATOM 1283 CA SER A 89 27.312 -10.753 21.057 1.00 0.00 C ATOM 1284 C SER A 89 26.858 -11.824 22.044 1.00 0.00 C ATOM 1285 O SER A 89 26.998 -13.007 21.731 1.00 0.00 O ATOM 1286 CB SER A 89 28.757 -10.983 20.596 1.00 0.00 C ATOM 1287 OG SER A 89 29.084 -10.112 19.523 1.00 0.00 O ATOM 0 H SER A 89 27.499 -9.188 22.452 1.00 0.00 H new ATOM 0 HA SER A 89 26.613 -10.875 20.230 1.00 0.00 H new ATOM 0 HB2 SER A 89 29.441 -10.816 21.428 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.884 -12.019 20.282 1.00 0.00 H new ATOM 0 HG SER A 89 30.009 -10.271 19.243 1.00 0.00 H new ATOM 1321 N CYS A 93 21.429 -12.357 24.764 1.00 0.00 N ATOM 1322 CA CYS A 93 21.289 -10.964 25.150 1.00 0.00 C ATOM 1323 C CYS A 93 19.879 -10.504 24.799 1.00 0.00 C ATOM 1324 O CYS A 93 19.380 -10.816 23.716 1.00 0.00 O ATOM 1325 CB CYS A 93 22.344 -10.163 24.380 1.00 0.00 C ATOM 1326 SG CYS A 93 22.251 -8.354 24.430 1.00 0.00 S ATOM 0 HA CYS A 93 21.439 -10.820 26.220 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.324 -10.456 24.756 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.298 -10.470 23.335 1.00 0.00 H new ATOM 1331 N SER A 94 19.277 -9.715 25.679 1.00 0.00 N ATOM 1332 CA SER A 94 17.916 -9.242 25.565 1.00 0.00 C ATOM 1333 C SER A 94 17.927 -7.760 25.923 1.00 0.00 C ATOM 1334 O SER A 94 18.250 -7.395 27.054 1.00 0.00 O ATOM 1335 CB SER A 94 17.047 -10.065 26.519 1.00 0.00 C ATOM 1336 OG SER A 94 16.893 -11.389 26.034 1.00 0.00 O ATOM 0 H SER A 94 19.746 -9.378 26.520 1.00 0.00 H new ATOM 0 HA SER A 94 17.508 -9.357 24.561 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.502 -10.085 27.509 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.069 -9.595 26.627 1.00 0.00 H new ATOM 0 HG SER A 94 16.336 -11.903 26.656 1.00 0.00 H new ATOM 1342 N ILE A 95 17.595 -6.906 24.957 1.00 0.00 N ATOM 1343 CA ILE A 95 17.662 -5.459 25.083 1.00 0.00 C ATOM 1344 C ILE A 95 16.268 -4.921 24.780 1.00 0.00 C ATOM 1345 O ILE A 95 15.647 -5.313 23.789 1.00 0.00 O ATOM 1346 CB ILE A 95 18.752 -4.863 24.156 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.140 -5.442 24.501 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.785 -3.323 24.255 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.285 -4.993 23.582 1.00 0.00 C ATOM 0 H ILE A 95 17.264 -7.213 24.043 1.00 0.00 H new ATOM 0 HA ILE A 95 17.955 -5.165 26.091 1.00 0.00 H new ATOM 0 HB ILE A 95 18.500 -5.138 23.132 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.387 -5.163 25.525 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.079 -6.530 24.473 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.559 -2.932 23.594 1.00 0.00 H new ATOM 0 HG22 ILE A 95 17.817 -2.919 23.959 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.002 -3.029 25.282 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.217 -5.455 23.909 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.070 -5.296 22.557 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.383 -3.908 23.626 1.00 0.00 H new ATOM 1361 N SER A 96 15.801 -3.987 25.600 1.00 0.00 N ATOM 1362 CA SER A 96 14.557 -3.284 25.354 1.00 0.00 C ATOM 1363 C SER A 96 14.732 -1.826 25.760 1.00 0.00 C ATOM 1364 O SER A 96 15.396 -1.532 26.761 1.00 0.00 O ATOM 1365 CB SER A 96 13.410 -3.926 26.140 1.00 0.00 C ATOM 1366 OG SER A 96 13.203 -5.285 25.783 1.00 0.00 O ATOM 0 H SER A 96 16.278 -3.699 26.454 1.00 0.00 H new ATOM 0 HA SER A 96 14.307 -3.343 24.295 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.624 -3.862 27.207 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.493 -3.363 25.964 1.00 0.00 H new ATOM 0 HG SER A 96 12.464 -5.653 26.311 1.00 0.00 H new ATOM 1372 N THR A 97 14.092 -0.950 24.984 1.00 0.00 N ATOM 1373 CA THR A 97 13.916 0.477 25.261 1.00 0.00 C ATOM 1374 C THR A 97 15.199 1.178 25.757 1.00 0.00 C ATOM 1375 O THR A 97 15.160 1.969 26.702 1.00 0.00 O ATOM 1376 CB THR A 97 12.665 0.677 26.152 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.599 -0.241 27.229 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.377 0.472 25.348 1.00 0.00 C ATOM 0 H THR A 97 13.661 -1.230 24.103 1.00 0.00 H new ATOM 0 HA THR A 97 13.725 0.997 24.322 1.00 0.00 H new ATOM 0 HB THR A 97 12.754 1.695 26.532 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.200 0.052 27.946 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.515 0.619 25.999 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.341 1.191 24.530 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.358 -0.540 24.943 1.00 0.00 H new ATOM 1386 N CYS A 98 16.346 0.896 25.127 1.00 0.00 N ATOM 1387 CA CYS A 98 17.659 1.367 25.560 1.00 0.00 C ATOM 1388 C CYS A 98 18.379 2.082 24.412 1.00 0.00 C ATOM 1389 O CYS A 98 18.058 1.874 23.242 1.00 0.00 O ATOM 1390 CB CYS A 98 18.479 0.156 26.035 1.00 0.00 C ATOM 1391 SG CYS A 98 19.965 0.592 26.975 1.00 0.00 S ATOM 0 H CYS A 98 16.383 0.322 24.285 1.00 0.00 H new ATOM 0 HA CYS A 98 17.544 2.080 26.376 1.00 0.00 H new ATOM 0 HB2 CYS A 98 17.844 -0.479 26.653 1.00 0.00 H new ATOM 0 HB3 CYS A 98 18.772 -0.434 25.167 1.00 0.00 H new ATOM 1396 N THR A 99 19.396 2.881 24.726 1.00 0.00 N ATOM 1397 CA THR A 99 20.308 3.449 23.746 1.00 0.00 C ATOM 1398 C THR A 99 21.713 3.067 24.205 1.00 0.00 C ATOM 1399 O THR A 99 22.015 3.148 25.397 1.00 0.00 O ATOM 1400 CB THR A 99 20.083 4.965 23.634 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.765 5.227 23.187 1.00 0.00 O ATOM 1402 CG2 THR A 99 21.057 5.639 22.661 1.00 0.00 C ATOM 0 H THR A 99 19.610 3.154 25.685 1.00 0.00 H new ATOM 0 HA THR A 99 20.144 3.063 22.740 1.00 0.00 H new ATOM 0 HB THR A 99 20.252 5.375 24.630 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.629 6.195 23.120 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.851 6.709 22.623 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.080 5.478 23.001 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.933 5.210 21.667 1.00 0.00 H new ATOM 1410 N ILE A 100 22.568 2.623 23.285 1.00 0.00 N ATOM 1411 CA ILE A 100 23.925 2.197 23.593 1.00 0.00 C ATOM 1412 C ILE A 100 24.822 2.836 22.539 1.00 0.00 C ATOM 1413 O ILE A 100 24.600 2.653 21.340 1.00 0.00 O ATOM 1414 CB ILE A 100 24.054 0.650 23.631 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.883 -0.038 24.380 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.397 0.262 24.285 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.984 -1.566 24.452 1.00 0.00 C ATOM 0 H ILE A 100 22.332 2.550 22.295 1.00 0.00 H new ATOM 0 HA ILE A 100 24.221 2.520 24.591 1.00 0.00 H new ATOM 0 HB ILE A 100 24.016 0.298 22.600 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.834 0.358 25.394 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.947 0.229 23.888 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.488 -0.824 24.312 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.219 0.681 23.704 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.434 0.655 25.301 1.00 0.00 H new ATOM 0 HD11 ILE A 100 22.124 -1.962 24.992 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.999 -1.978 23.443 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.900 -1.846 24.972 1.00 0.00 H new ATOM 1429 N THR A 101 25.839 3.570 22.979 1.00 0.00 N ATOM 1430 CA THR A 101 26.705 4.349 22.109 1.00 0.00 C ATOM 1431 C THR A 101 28.135 4.109 22.575 1.00 0.00 C ATOM 1432 O THR A 101 28.427 4.280 23.760 1.00 0.00 O ATOM 1433 CB THR A 101 26.290 5.832 22.176 1.00 0.00 C ATOM 1434 OG1 THR A 101 24.924 5.967 21.824 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.123 6.712 21.235 1.00 0.00 C ATOM 0 H THR A 101 26.086 3.640 23.966 1.00 0.00 H new ATOM 0 HA THR A 101 26.623 4.053 21.063 1.00 0.00 H new ATOM 0 HB THR A 101 26.462 6.164 23.200 1.00 0.00 H new ATOM 0 HG1 THR A 101 24.666 6.911 21.870 1.00 0.00 H new ATOM 0 HG21 THR A 101 26.793 7.748 21.318 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.176 6.643 21.509 1.00 0.00 H new ATOM 0 HG23 THR A 101 26.993 6.371 20.208 1.00 0.00 H new ATOM 1443 N ARG A 102 29.017 3.682 21.660 1.00 0.00 N ATOM 1444 CA ARG A 102 30.429 3.366 21.923 1.00 0.00 C ATOM 1445 C ARG A 102 30.627 2.614 23.252 1.00 0.00 C ATOM 1446 O ARG A 102 31.475 2.976 24.068 1.00 0.00 O ATOM 1447 CB ARG A 102 31.299 4.638 21.817 1.00 0.00 C ATOM 1448 CG ARG A 102 31.156 5.437 20.508 1.00 0.00 C ATOM 1449 CD ARG A 102 31.328 4.623 19.214 1.00 0.00 C ATOM 1450 NE ARG A 102 32.644 3.961 19.101 1.00 0.00 N ATOM 1451 CZ ARG A 102 33.792 4.538 18.717 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.846 5.842 18.452 1.00 0.00 N ATOM 1453 NH2 ARG A 102 34.889 3.802 18.596 1.00 0.00 N ATOM 0 H ARG A 102 28.759 3.542 20.683 1.00 0.00 H new ATOM 0 HA ARG A 102 30.766 2.675 21.150 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.053 5.295 22.651 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.344 4.352 21.934 1.00 0.00 H new ATOM 0 HG2 ARG A 102 30.172 5.905 20.494 1.00 0.00 H new ATOM 0 HG3 ARG A 102 31.892 6.241 20.511 1.00 0.00 H new ATOM 0 HD2 ARG A 102 30.545 3.867 19.164 1.00 0.00 H new ATOM 0 HD3 ARG A 102 31.188 5.283 18.358 1.00 0.00 H new ATOM 0 HE ARG A 102 32.683 2.970 19.338 1.00 0.00 H new ATOM 0 HH11 ARG A 102 33.007 6.416 18.540 1.00 0.00 H new ATOM 0 HH12 ARG A 102 34.726 6.267 18.161 1.00 0.00 H new ATOM 0 HH21 ARG A 102 34.857 2.802 18.795 1.00 0.00 H new ATOM 0 HH22 ARG A 102 35.765 4.236 18.304 1.00 0.00 H new ATOM 1467 N GLY A 103 29.822 1.570 23.477 1.00 0.00 N ATOM 1468 CA GLY A 103 29.967 0.662 24.611 1.00 0.00 C ATOM 1469 C GLY A 103 29.335 1.171 25.909 1.00 0.00 C ATOM 1470 O GLY A 103 29.476 0.502 26.934 1.00 0.00 O ATOM 0 H GLY A 103 29.041 1.332 22.865 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.518 -0.297 24.353 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.028 0.481 24.784 1.00 0.00 H new ATOM 1474 N VAL A 104 28.632 2.309 25.897 1.00 0.00 N ATOM 1475 CA VAL A 104 28.004 2.893 27.079 1.00 0.00 C ATOM 1476 C VAL A 104 26.492 2.880 26.843 1.00 0.00 C ATOM 1477 O VAL A 104 26.001 3.532 25.920 1.00 0.00 O ATOM 1478 CB VAL A 104 28.570 4.310 27.337 1.00 0.00 C ATOM 1479 CG1 VAL A 104 27.984 4.920 28.621 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.103 4.299 27.470 1.00 0.00 C ATOM 0 H VAL A 104 28.483 2.856 25.049 1.00 0.00 H new ATOM 0 HA VAL A 104 28.221 2.319 27.980 1.00 0.00 H new ATOM 0 HB VAL A 104 28.285 4.912 26.474 1.00 0.00 H new ATOM 0 HG11 VAL A 104 28.401 5.915 28.774 1.00 0.00 H new ATOM 0 HG12 VAL A 104 26.900 4.991 28.528 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.234 4.287 29.472 1.00 0.00 H new ATOM 0 HG21 VAL A 104 30.460 5.313 27.650 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.391 3.659 28.304 1.00 0.00 H new ATOM 0 HG23 VAL A 104 30.545 3.917 26.550 1.00 0.00 H new ATOM 1490 N ALA A 105 25.763 2.099 27.648 1.00 0.00 N ATOM 1491 CA ALA A 105 24.304 2.097 27.660 1.00 0.00 C ATOM 1492 C ALA A 105 23.794 3.296 28.464 1.00 0.00 C ATOM 1493 O ALA A 105 24.441 3.720 29.426 1.00 0.00 O ATOM 1494 CB ALA A 105 23.798 0.788 28.277 1.00 0.00 C ATOM 0 H ALA A 105 26.177 1.446 28.314 1.00 0.00 H new ATOM 0 HA ALA A 105 23.930 2.174 26.639 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.708 0.787 28.286 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.157 -0.055 27.687 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.169 0.700 29.298 1.00 0.00 H new ATOM 1548 N ALA A 110 14.348 2.909 31.787 1.00 0.00 N ATOM 1549 CA ALA A 110 13.758 2.365 30.570 1.00 0.00 C ATOM 1550 C ALA A 110 14.675 1.334 29.904 1.00 0.00 C ATOM 1551 O ALA A 110 14.172 0.434 29.236 1.00 0.00 O ATOM 1552 CB ALA A 110 13.458 3.506 29.591 1.00 0.00 C ATOM 0 HA ALA A 110 12.834 1.856 30.843 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.017 3.098 28.681 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.760 4.206 30.051 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.383 4.026 29.344 1.00 0.00 H new ATOM 1558 N CYS A 111 15.996 1.425 30.082 1.00 0.00 N ATOM 1559 CA CYS A 111 16.916 0.484 29.466 1.00 0.00 C ATOM 1560 C CYS A 111 16.851 -0.860 30.191 1.00 0.00 C ATOM 1561 O CYS A 111 17.008 -0.917 31.414 1.00 0.00 O ATOM 1562 CB CYS A 111 18.353 1.026 29.542 1.00 0.00 C ATOM 1563 SG CYS A 111 19.607 -0.096 28.856 1.00 0.00 S ATOM 0 H CYS A 111 16.446 2.144 30.649 1.00 0.00 H new ATOM 0 HA CYS A 111 16.631 0.351 28.422 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.400 1.976 29.009 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.597 1.233 30.584 1.00 0.00 H new ATOM 1568 N LYS A 112 16.681 -1.944 29.430 1.00 0.00 N ATOM 1569 CA LYS A 112 16.840 -3.318 29.905 1.00 0.00 C ATOM 1570 C LYS A 112 17.907 -3.935 29.005 1.00 0.00 C ATOM 1571 O LYS A 112 17.898 -3.667 27.803 1.00 0.00 O ATOM 1572 CB LYS A 112 15.528 -4.123 29.860 1.00 0.00 C ATOM 1573 CG LYS A 112 14.377 -3.467 30.645 1.00 0.00 C ATOM 1574 CD LYS A 112 13.368 -2.785 29.710 1.00 0.00 C ATOM 1575 CE LYS A 112 12.472 -1.820 30.486 1.00 0.00 C ATOM 1576 NZ LYS A 112 11.371 -1.285 29.644 1.00 0.00 N ATOM 0 H LYS A 112 16.423 -1.888 28.445 1.00 0.00 H new ATOM 0 HA LYS A 112 17.131 -3.332 30.955 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.223 -4.248 28.821 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.709 -5.120 30.261 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.867 -4.223 31.242 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.783 -2.732 31.340 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.900 -2.244 28.927 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.755 -3.540 29.217 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.051 -2.332 31.351 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.072 -0.993 30.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.870 -0.536 30.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.765 -0.893 28.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.706 -2.051 29.414 1.00 0.00 H new ATOM 1590 N ILE A 113 18.835 -4.700 29.580 1.00 0.00 N ATOM 1591 CA ILE A 113 20.041 -5.195 28.911 1.00 0.00 C ATOM 1592 C ILE A 113 20.406 -6.594 29.458 1.00 0.00 C ATOM 1593 O ILE A 113 21.573 -6.935 29.663 1.00 0.00 O ATOM 1594 CB ILE A 113 21.121 -4.089 29.040 1.00 0.00 C ATOM 1595 CG1 ILE A 113 22.324 -4.326 28.103 1.00 0.00 C ATOM 1596 CG2 ILE A 113 21.559 -3.818 30.496 1.00 0.00 C ATOM 1597 CD1 ILE A 113 23.191 -3.079 27.886 1.00 0.00 C ATOM 0 H ILE A 113 18.768 -5.002 30.552 1.00 0.00 H new ATOM 0 HA ILE A 113 19.910 -5.369 27.843 1.00 0.00 H new ATOM 0 HB ILE A 113 20.635 -3.173 28.705 1.00 0.00 H new ATOM 0 HG12 ILE A 113 22.944 -5.121 28.516 1.00 0.00 H new ATOM 0 HG13 ILE A 113 21.958 -4.676 27.138 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.316 -3.033 30.508 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.697 -3.500 31.082 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.974 -4.729 30.927 1.00 0.00 H new ATOM 0 HD11 ILE A 113 24.017 -3.322 27.217 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.586 -2.288 27.443 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.587 -2.740 28.843 1.00 0.00 H new ATOM 1609 N SER A 114 19.384 -7.388 29.781 1.00 0.00 N ATOM 1610 CA SER A 114 19.493 -8.667 30.463 1.00 0.00 C ATOM 1611 C SER A 114 20.360 -9.661 29.675 1.00 0.00 C ATOM 1612 O SER A 114 20.194 -9.823 28.463 1.00 0.00 O ATOM 1613 CB SER A 114 18.079 -9.224 30.678 1.00 0.00 C ATOM 1614 OG SER A 114 17.214 -8.222 31.202 1.00 0.00 O ATOM 0 H SER A 114 18.419 -7.142 29.563 1.00 0.00 H new ATOM 0 HA SER A 114 19.986 -8.519 31.424 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.682 -9.595 29.733 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.118 -10.071 31.362 1.00 0.00 H new ATOM 0 HG SER A 114 16.318 -8.598 31.330 1.00 0.00 H new ATOM 1620 N GLY A 115 21.266 -10.350 30.378 1.00 0.00 N ATOM 1621 CA GLY A 115 22.072 -11.444 29.840 1.00 0.00 C ATOM 1622 C GLY A 115 23.056 -11.026 28.742 1.00 0.00 C ATOM 1623 O GLY A 115 23.582 -11.893 28.042 1.00 0.00 O ATOM 0 H GLY A 115 21.461 -10.155 31.360 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.631 -11.903 30.656 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.405 -12.208 29.441 1.00 0.00 H new ATOM 1627 N CYS A 116 23.285 -9.724 28.547 1.00 0.00 N ATOM 1628 CA CYS A 116 24.096 -9.224 27.448 1.00 0.00 C ATOM 1629 C CYS A 116 25.594 -9.268 27.750 1.00 0.00 C ATOM 1630 O CYS A 116 26.022 -9.299 28.907 1.00 0.00 O ATOM 1631 CB CYS A 116 23.637 -7.811 27.086 1.00 0.00 C ATOM 1632 SG CYS A 116 21.975 -7.790 26.371 1.00 0.00 S ATOM 0 H CYS A 116 22.910 -8.992 29.150 1.00 0.00 H new ATOM 0 HA CYS A 116 23.950 -9.883 26.592 1.00 0.00 H new ATOM 0 HB2 CYS A 116 23.654 -7.186 27.979 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.340 -7.373 26.378 1.00 0.00 H new ATOM 1637 N SER A 117 26.369 -9.213 26.666 1.00 0.00 N ATOM 1638 CA SER A 117 27.820 -9.164 26.626 1.00 0.00 C ATOM 1639 C SER A 117 28.110 -8.270 25.426 1.00 0.00 C ATOM 1640 O SER A 117 27.688 -8.596 24.309 1.00 0.00 O ATOM 1641 CB SER A 117 28.408 -10.570 26.431 1.00 0.00 C ATOM 1642 OG SER A 117 27.950 -11.471 27.427 1.00 0.00 O ATOM 0 H SER A 117 25.964 -9.201 25.730 1.00 0.00 H new ATOM 0 HA SER A 117 28.263 -8.787 27.548 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.134 -10.946 25.445 1.00 0.00 H new ATOM 0 HB3 SER A 117 29.496 -10.517 26.460 1.00 0.00 H new ATOM 0 HG SER A 117 28.342 -12.356 27.273 1.00 0.00 H new ATOM 1648 N LEU A 118 28.702 -7.101 25.664 1.00 0.00 N ATOM 1649 CA LEU A 118 28.846 -6.062 24.655 1.00 0.00 C ATOM 1650 C LEU A 118 30.085 -5.208 24.899 1.00 0.00 C ATOM 1651 O LEU A 118 30.628 -5.191 26.009 1.00 0.00 O ATOM 1652 CB LEU A 118 27.547 -5.230 24.543 1.00 0.00 C ATOM 1653 CG LEU A 118 27.118 -4.243 25.653 1.00 0.00 C ATOM 1654 CD1 LEU A 118 27.172 -4.810 27.075 1.00 0.00 C ATOM 1655 CD2 LEU A 118 27.868 -2.904 25.593 1.00 0.00 C ATOM 0 H LEU A 118 29.097 -6.850 26.570 1.00 0.00 H new ATOM 0 HA LEU A 118 29.002 -6.538 23.687 1.00 0.00 H new ATOM 0 HB2 LEU A 118 27.618 -4.656 23.619 1.00 0.00 H new ATOM 0 HB3 LEU A 118 26.728 -5.938 24.416 1.00 0.00 H new ATOM 0 HG LEU A 118 26.067 -4.064 25.428 1.00 0.00 H new ATOM 0 HD11 LEU A 118 26.854 -4.046 27.784 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.509 -5.672 27.149 1.00 0.00 H new ATOM 0 HD13 LEU A 118 28.192 -5.117 27.306 1.00 0.00 H new ATOM 0 HD21 LEU A 118 27.521 -2.256 26.398 1.00 0.00 H new ATOM 0 HD22 LEU A 118 28.938 -3.081 25.705 1.00 0.00 H new ATOM 0 HD23 LEU A 118 27.678 -2.423 24.633 1.00 0.00 H new ATOM 1667 N SER A 119 30.508 -4.497 23.857 1.00 0.00 N ATOM 1668 CA SER A 119 31.720 -3.693 23.802 1.00 0.00 C ATOM 1669 C SER A 119 31.502 -2.514 22.845 1.00 0.00 C ATOM 1670 O SER A 119 30.554 -2.503 22.049 1.00 0.00 O ATOM 1671 CB SER A 119 32.888 -4.563 23.297 1.00 0.00 C ATOM 1672 OG SER A 119 33.043 -5.762 24.044 1.00 0.00 O ATOM 0 H SER A 119 29.984 -4.466 22.982 1.00 0.00 H new ATOM 0 HA SER A 119 31.956 -3.314 24.796 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.723 -4.812 22.249 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.812 -3.987 23.346 1.00 0.00 H new ATOM 0 HG SER A 119 33.794 -6.277 23.683 1.00 0.00 H new ATOM 1678 N ALA A 120 32.388 -1.519 22.908 1.00 0.00 N ATOM 1679 CA ALA A 120 32.442 -0.444 21.929 1.00 0.00 C ATOM 1680 C ALA A 120 33.025 -0.959 20.609 1.00 0.00 C ATOM 1681 O ALA A 120 33.857 -1.872 20.606 1.00 0.00 O ATOM 1682 CB ALA A 120 33.345 0.673 22.465 1.00 0.00 C ATOM 0 H ALA A 120 33.089 -1.440 23.644 1.00 0.00 H new ATOM 0 HA ALA A 120 31.433 -0.069 21.755 1.00 0.00 H new ATOM 0 HB1 ALA A 120 33.392 1.484 21.738 1.00 0.00 H new ATOM 0 HB2 ALA A 120 32.939 1.050 23.403 1.00 0.00 H new ATOM 0 HB3 ALA A 120 34.347 0.280 22.635 1.00 0.00 H new ATOM 1688 N MET A 121 32.610 -0.346 19.498 1.00 0.00 N ATOM 1689 CA MET A 121 33.238 -0.548 18.197 1.00 0.00 C ATOM 1690 C MET A 121 34.682 -0.066 18.320 1.00 0.00 C ATOM 1691 O MET A 121 34.881 1.065 18.820 1.00 0.00 O ATOM 1692 CB MET A 121 32.469 0.236 17.125 1.00 0.00 C ATOM 1693 CG MET A 121 33.138 0.194 15.749 1.00 0.00 C ATOM 1694 SD MET A 121 32.234 1.123 14.483 1.00 0.00 S ATOM 1695 CE MET A 121 33.316 0.817 13.060 1.00 0.00 C ATOM 1696 OXT MET A 121 35.604 -0.808 17.926 1.00 0.00 O ATOM 0 H MET A 121 31.826 0.306 19.479 1.00 0.00 H new ATOM 0 HA MET A 121 33.223 -1.596 17.899 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.460 -0.168 17.043 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.372 1.274 17.443 1.00 0.00 H new ATOM 0 HG2 MET A 121 34.148 0.595 15.832 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.232 -0.844 15.430 1.00 0.00 H new ATOM 0 HE1 MET A 121 32.911 1.318 12.181 1.00 0.00 H new ATOM 0 HE2 MET A 121 34.313 1.203 13.271 1.00 0.00 H new ATOM 0 HE3 MET A 121 33.375 -0.255 12.871 1.00 0.00 H new