USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 53 ASN : amide:sc= -0.938 K(o=-0.21,f=0.57) USER MOD Set 1.2: A 58 SER OG : rot 21:sc= 0.475 USER MOD Set 1.3: A 60 TYR OH : rot 180:sc= 0.252 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.00228 (180deg=0) USER MOD Single : A 3 MET CE :methyl -144:sc= -1.5 (180deg=-3.1) USER MOD Single : A 4 ASN : amide:sc= 0.726 K(o=0.73,f=-5.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.13) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.18) USER MOD Single : A 23 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.21 K(o=1.2,f=-0.04) USER MOD Single : A 28 TYR OH : rot -107:sc= 0.956 USER MOD Single : A 30 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-8.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.3 K(o=-1.3,f=-15!) USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= -1.1 (180deg=-3.34!) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.052) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -156:sc= 0.11 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.477 K(o=-0.48,f=-2.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 71 HIS : no HD1:sc= -0.313 X(o=-0.31,f=0.046) USER MOD Single : A 72 HIS : no HE2:sc= 0.928 K(o=0.93,f=-4.9!) USER MOD Single : A 73 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.03) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.064 -5.070 -4.827 1.00 0.00 N ATOM 2 CA MET A 1 -14.457 -4.233 -3.669 1.00 0.00 C ATOM 3 C MET A 1 -13.204 -3.852 -2.888 1.00 0.00 C ATOM 4 O MET A 1 -12.339 -4.699 -2.659 1.00 0.00 O ATOM 5 CB MET A 1 -15.446 -5.003 -2.778 1.00 0.00 C ATOM 6 CG MET A 1 -16.358 -4.121 -1.931 1.00 0.00 C ATOM 7 SD MET A 1 -15.494 -3.225 -0.627 1.00 0.00 S ATOM 8 CE MET A 1 -16.851 -2.324 0.113 1.00 0.00 C ATOM 0 H1 MET A 1 -14.896 -5.581 -5.184 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.681 -4.463 -5.580 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.338 -5.754 -4.531 1.00 0.00 H new ATOM 0 HA MET A 1 -14.951 -3.325 -4.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.064 -5.640 -3.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.882 -5.661 -2.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.861 -3.404 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.133 -4.742 -1.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.478 -1.719 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.308 -1.675 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.595 -3.028 0.486 1.00 0.00 H new ATOM 20 N ALA A 2 -13.098 -2.580 -2.513 1.00 0.00 N ATOM 21 CA ALA A 2 -11.910 -2.065 -1.829 1.00 0.00 C ATOM 22 C ALA A 2 -11.607 -2.836 -0.548 1.00 0.00 C ATOM 23 O ALA A 2 -12.477 -3.023 0.303 1.00 0.00 O ATOM 24 CB ALA A 2 -12.080 -0.588 -1.522 1.00 0.00 C ATOM 0 H ALA A 2 -13.824 -1.881 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.063 -2.200 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.190 -0.217 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.223 -0.037 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.950 -0.448 -0.880 1.00 0.00 H new ATOM 30 N MET A 3 -10.362 -3.261 -0.410 1.00 0.00 N ATOM 31 CA MET A 3 -9.938 -4.031 0.745 1.00 0.00 C ATOM 32 C MET A 3 -8.996 -3.210 1.605 1.00 0.00 C ATOM 33 O MET A 3 -8.510 -2.158 1.182 1.00 0.00 O ATOM 34 CB MET A 3 -9.228 -5.312 0.305 1.00 0.00 C ATOM 35 CG MET A 3 -10.040 -6.178 -0.642 1.00 0.00 C ATOM 36 SD MET A 3 -9.140 -7.654 -1.162 1.00 0.00 S ATOM 37 CE MET A 3 -7.627 -6.920 -1.781 1.00 0.00 C ATOM 0 H MET A 3 -9.623 -3.083 -1.090 1.00 0.00 H new ATOM 0 HA MET A 3 -10.825 -4.293 1.322 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.288 -5.046 -0.179 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.976 -5.897 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.969 -6.474 -0.154 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.314 -5.594 -1.520 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.277 -7.483 -2.646 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.817 -5.887 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 3 -6.866 -6.943 -1.001 1.00 0.00 H new ATOM 47 N ASN A 4 -8.738 -3.691 2.809 1.00 0.00 N ATOM 48 CA ASN A 4 -7.800 -3.048 3.704 1.00 0.00 C ATOM 49 C ASN A 4 -6.578 -3.932 3.916 1.00 0.00 C ATOM 50 O ASN A 4 -6.656 -5.159 3.805 1.00 0.00 O ATOM 51 CB ASN A 4 -8.461 -2.734 5.051 1.00 0.00 C ATOM 52 CG ASN A 4 -8.952 -3.975 5.779 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.415 -4.933 5.163 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.857 -3.963 7.098 1.00 0.00 N ATOM 0 H ASN A 4 -9.171 -4.533 3.189 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.483 -2.110 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.748 -2.207 5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.302 -2.060 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.174 -4.767 7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.467 -3.149 7.574 1.00 0.00 H new ATOM 61 N GLY A 5 -5.452 -3.305 4.206 1.00 0.00 N ATOM 62 CA GLY A 5 -4.233 -4.042 4.456 1.00 0.00 C ATOM 63 C GLY A 5 -3.316 -3.306 5.407 1.00 0.00 C ATOM 64 O GLY A 5 -3.586 -2.158 5.768 1.00 0.00 O ATOM 0 H GLY A 5 -5.359 -2.291 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.478 -5.020 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.714 -4.217 3.513 1.00 0.00 H new ATOM 68 N THR A 6 -2.239 -3.955 5.817 1.00 0.00 N ATOM 69 CA THR A 6 -1.285 -3.344 6.725 1.00 0.00 C ATOM 70 C THR A 6 0.078 -3.220 6.053 1.00 0.00 C ATOM 71 O THR A 6 0.545 -4.146 5.384 1.00 0.00 O ATOM 72 CB THR A 6 -1.146 -4.156 8.023 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.446 -4.540 8.490 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.439 -3.347 9.103 1.00 0.00 C ATOM 0 H THR A 6 -2.004 -4.906 5.534 1.00 0.00 H new ATOM 0 HA THR A 6 -1.659 -2.352 6.979 1.00 0.00 H new ATOM 0 HB THR A 6 -0.549 -5.043 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.357 -5.059 9.316 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.355 -3.946 10.010 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.557 -3.070 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.013 -2.445 9.316 1.00 0.00 H new ATOM 82 N ILE A 7 0.700 -2.070 6.233 1.00 0.00 N ATOM 83 CA ILE A 7 1.972 -1.772 5.594 1.00 0.00 C ATOM 84 C ILE A 7 3.121 -2.428 6.351 1.00 0.00 C ATOM 85 O ILE A 7 3.402 -2.076 7.500 1.00 0.00 O ATOM 86 CB ILE A 7 2.209 -0.250 5.511 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.991 0.435 4.881 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.469 0.050 4.707 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.084 1.944 4.842 1.00 0.00 C ATOM 0 H ILE A 7 0.342 -1.319 6.823 1.00 0.00 H new ATOM 0 HA ILE A 7 1.934 -2.175 4.582 1.00 0.00 H new ATOM 0 HB ILE A 7 2.348 0.141 6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.864 0.063 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.099 0.151 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.621 1.128 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.328 -0.416 5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.360 -0.347 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.184 2.352 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.179 2.329 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.956 2.240 4.259 1.00 0.00 H new ATOM 101 N THR A 8 3.782 -3.378 5.705 1.00 0.00 N ATOM 102 CA THR A 8 4.847 -4.124 6.341 1.00 0.00 C ATOM 103 C THR A 8 6.209 -3.627 5.874 1.00 0.00 C ATOM 104 O THR A 8 7.132 -3.453 6.671 1.00 0.00 O ATOM 105 CB THR A 8 4.708 -5.624 6.037 1.00 0.00 C ATOM 106 OG1 THR A 8 4.423 -5.815 4.644 1.00 0.00 O ATOM 107 CG2 THR A 8 3.605 -6.251 6.875 1.00 0.00 C ATOM 0 H THR A 8 3.596 -3.647 4.739 1.00 0.00 H new ATOM 0 HA THR A 8 4.769 -3.971 7.417 1.00 0.00 H new ATOM 0 HB THR A 8 5.650 -6.111 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.337 -6.773 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.528 -7.313 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.838 -6.130 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.657 -5.761 6.654 1.00 0.00 H new ATOM 115 N THR A 9 6.324 -3.394 4.577 1.00 0.00 N ATOM 116 CA THR A 9 7.554 -2.889 3.998 1.00 0.00 C ATOM 117 C THR A 9 7.272 -1.643 3.162 1.00 0.00 C ATOM 118 O THR A 9 6.422 -1.667 2.277 1.00 0.00 O ATOM 119 CB THR A 9 8.225 -3.964 3.122 1.00 0.00 C ATOM 120 OG1 THR A 9 8.452 -5.146 3.901 1.00 0.00 O ATOM 121 CG2 THR A 9 9.546 -3.468 2.557 1.00 0.00 C ATOM 0 H THR A 9 5.574 -3.548 3.903 1.00 0.00 H new ATOM 0 HA THR A 9 8.231 -2.628 4.811 1.00 0.00 H new ATOM 0 HB THR A 9 7.559 -4.189 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.877 -5.829 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.995 -4.249 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.371 -2.582 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.220 -3.217 3.376 1.00 0.00 H new ATOM 129 N TRP A 10 7.977 -0.557 3.452 1.00 0.00 N ATOM 130 CA TRP A 10 7.780 0.694 2.730 1.00 0.00 C ATOM 131 C TRP A 10 9.094 1.448 2.574 1.00 0.00 C ATOM 132 O TRP A 10 9.812 1.671 3.553 1.00 0.00 O ATOM 133 CB TRP A 10 6.750 1.575 3.454 1.00 0.00 C ATOM 134 CG TRP A 10 6.681 2.981 2.930 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.001 4.119 3.613 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.281 3.400 1.619 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.819 5.219 2.810 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.378 4.804 1.582 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.847 2.724 0.475 1.00 0.00 C ATOM 140 CZ2 TRP A 10 6.061 5.544 0.444 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.534 3.459 -0.654 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.640 4.855 -0.662 1.00 0.00 C ATOM 0 H TRP A 10 8.689 -0.517 4.181 1.00 0.00 H new ATOM 0 HA TRP A 10 7.403 0.452 1.736 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.766 1.115 3.365 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.993 1.604 4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.347 4.150 4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.985 6.187 3.084 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.758 1.648 0.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 6.144 6.621 0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.202 2.947 -1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 10 5.384 5.400 -1.559 1.00 0.00 H new ATOM 153 N PHE A 11 9.406 1.830 1.343 1.00 0.00 N ATOM 154 CA PHE A 11 10.589 2.624 1.068 1.00 0.00 C ATOM 155 C PHE A 11 10.204 3.921 0.368 1.00 0.00 C ATOM 156 O PHE A 11 9.987 3.931 -0.844 1.00 0.00 O ATOM 157 CB PHE A 11 11.578 1.856 0.186 1.00 0.00 C ATOM 158 CG PHE A 11 12.084 0.581 0.794 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.046 0.607 1.791 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.610 -0.644 0.358 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.523 -0.567 2.345 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.081 -1.821 0.908 1.00 0.00 C ATOM 163 CZ PHE A 11 13.040 -1.782 1.901 1.00 0.00 C ATOM 0 H PHE A 11 8.852 1.600 0.518 1.00 0.00 H new ATOM 0 HA PHE A 11 11.066 2.847 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.097 1.626 -0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.428 2.502 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.428 1.555 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.863 -0.681 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.271 -0.534 3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.700 -2.770 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.412 -2.701 2.330 1.00 0.00 H new ATOM 173 N LYS A 12 10.103 5.003 1.133 1.00 0.00 N ATOM 174 CA LYS A 12 9.843 6.326 0.567 1.00 0.00 C ATOM 175 C LYS A 12 11.030 6.746 -0.286 1.00 0.00 C ATOM 176 O LYS A 12 10.878 7.373 -1.335 1.00 0.00 O ATOM 177 CB LYS A 12 9.607 7.359 1.676 1.00 0.00 C ATOM 178 CG LYS A 12 9.422 8.776 1.156 1.00 0.00 C ATOM 179 CD LYS A 12 8.174 8.887 0.295 1.00 0.00 C ATOM 180 CE LYS A 12 8.086 10.233 -0.416 1.00 0.00 C ATOM 181 NZ LYS A 12 8.153 11.380 0.527 1.00 0.00 N ATOM 0 H LYS A 12 10.197 4.992 2.149 1.00 0.00 H new ATOM 0 HA LYS A 12 8.944 6.276 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.724 7.072 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.452 7.341 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.351 9.468 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.296 9.070 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.172 8.086 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.291 8.748 0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.898 10.313 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.154 10.283 -0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.106 12.271 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.354 11.331 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.046 11.341 1.058 1.00 0.00 H new ATOM 195 N ASP A 13 12.207 6.380 0.200 1.00 0.00 N ATOM 196 CA ASP A 13 13.467 6.567 -0.522 1.00 0.00 C ATOM 197 C ASP A 13 13.351 6.103 -1.974 1.00 0.00 C ATOM 198 O ASP A 13 13.817 6.779 -2.894 1.00 0.00 O ATOM 199 CB ASP A 13 14.575 5.782 0.193 1.00 0.00 C ATOM 200 CG ASP A 13 15.901 5.787 -0.547 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.642 6.786 -0.445 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.232 4.768 -1.195 1.00 0.00 O ATOM 0 H ASP A 13 12.320 5.941 1.114 1.00 0.00 H new ATOM 0 HA ASP A 13 13.709 7.630 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.722 6.203 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.248 4.751 0.328 1.00 0.00 H new ATOM 207 N LYS A 14 12.706 4.962 -2.178 1.00 0.00 N ATOM 208 CA LYS A 14 12.581 4.383 -3.510 1.00 0.00 C ATOM 209 C LYS A 14 11.256 4.767 -4.169 1.00 0.00 C ATOM 210 O LYS A 14 11.231 5.232 -5.310 1.00 0.00 O ATOM 211 CB LYS A 14 12.708 2.860 -3.439 1.00 0.00 C ATOM 212 CG LYS A 14 12.690 2.189 -4.802 1.00 0.00 C ATOM 213 CD LYS A 14 13.798 2.719 -5.697 1.00 0.00 C ATOM 214 CE LYS A 14 13.670 2.186 -7.113 1.00 0.00 C ATOM 215 NZ LYS A 14 14.715 2.741 -8.013 1.00 0.00 N ATOM 0 H LYS A 14 12.261 4.419 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 14 13.388 4.785 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.636 2.604 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.892 2.462 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.803 1.112 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.724 2.356 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.765 3.808 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.767 2.435 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.744 1.099 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.684 2.434 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.592 2.352 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.629 3.777 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.656 2.483 -7.653 1.00 0.00 H new ATOM 229 N GLY A 15 10.162 4.583 -3.447 1.00 0.00 N ATOM 230 CA GLY A 15 8.853 4.842 -4.009 1.00 0.00 C ATOM 231 C GLY A 15 8.056 3.567 -4.200 1.00 0.00 C ATOM 232 O GLY A 15 7.034 3.556 -4.893 1.00 0.00 O ATOM 0 H GLY A 15 10.157 4.258 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.304 5.518 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.964 5.348 -4.968 1.00 0.00 H new ATOM 236 N PHE A 16 8.528 2.487 -3.592 1.00 0.00 N ATOM 237 CA PHE A 16 7.840 1.206 -3.657 1.00 0.00 C ATOM 238 C PHE A 16 7.584 0.673 -2.258 1.00 0.00 C ATOM 239 O PHE A 16 8.187 1.140 -1.285 1.00 0.00 O ATOM 240 CB PHE A 16 8.652 0.177 -4.450 1.00 0.00 C ATOM 241 CG PHE A 16 8.794 0.501 -5.910 1.00 0.00 C ATOM 242 CD1 PHE A 16 7.707 0.405 -6.762 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.016 0.894 -6.432 1.00 0.00 C ATOM 244 CE1 PHE A 16 7.836 0.691 -8.106 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.150 1.183 -7.776 1.00 0.00 C ATOM 246 CZ PHE A 16 9.058 1.082 -8.614 1.00 0.00 C ATOM 0 H PHE A 16 9.389 2.474 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 16 6.890 1.368 -4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.645 0.096 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.178 -0.799 -4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.747 0.103 -6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.873 0.975 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.981 0.609 -8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.108 1.488 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.160 1.308 -9.665 1.00 0.00 H new ATOM 256 N GLY A 17 6.700 -0.303 -2.163 1.00 0.00 N ATOM 257 CA GLY A 17 6.369 -0.884 -0.881 1.00 0.00 C ATOM 258 C GLY A 17 5.584 -2.167 -1.023 1.00 0.00 C ATOM 259 O GLY A 17 5.143 -2.512 -2.121 1.00 0.00 O ATOM 0 H GLY A 17 6.202 -0.707 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.286 -1.080 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.790 -0.168 -0.298 1.00 0.00 H new ATOM 263 N PHE A 18 5.406 -2.870 0.086 1.00 0.00 N ATOM 264 CA PHE A 18 4.672 -4.121 0.102 1.00 0.00 C ATOM 265 C PHE A 18 3.689 -4.098 1.259 1.00 0.00 C ATOM 266 O PHE A 18 4.058 -3.785 2.396 1.00 0.00 O ATOM 267 CB PHE A 18 5.618 -5.314 0.257 1.00 0.00 C ATOM 268 CG PHE A 18 6.647 -5.423 -0.836 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.302 -5.924 -2.080 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.956 -5.026 -0.615 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.244 -6.026 -3.085 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.902 -5.125 -1.617 1.00 0.00 C ATOM 273 CZ PHE A 18 8.547 -5.627 -2.852 1.00 0.00 C ATOM 0 H PHE A 18 5.767 -2.587 0.997 1.00 0.00 H new ATOM 0 HA PHE A 18 4.143 -4.230 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.129 -5.238 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.029 -6.231 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.286 -6.238 -2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.240 -4.635 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.963 -6.417 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.919 -4.810 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.286 -5.708 -3.636 1.00 0.00 H new ATOM 283 N ILE A 19 2.444 -4.404 0.967 1.00 0.00 N ATOM 284 CA ILE A 19 1.393 -4.354 1.965 1.00 0.00 C ATOM 285 C ILE A 19 0.617 -5.665 1.984 1.00 0.00 C ATOM 286 O ILE A 19 0.207 -6.163 0.937 1.00 0.00 O ATOM 287 CB ILE A 19 0.437 -3.168 1.691 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.186 -1.841 1.850 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.771 -3.212 2.611 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.373 -0.621 1.472 1.00 0.00 C ATOM 0 H ILE A 19 2.131 -4.692 0.040 1.00 0.00 H new ATOM 0 HA ILE A 19 1.854 -4.207 2.942 1.00 0.00 H new ATOM 0 HB ILE A 19 0.077 -3.250 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.510 -1.741 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.086 -1.869 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.424 -2.366 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.317 -4.142 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.440 -3.159 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.976 0.276 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.071 -0.694 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.514 -0.565 2.103 1.00 0.00 H new ATOM 302 N LYS A 20 0.445 -6.222 3.174 1.00 0.00 N ATOM 303 CA LYS A 20 -0.316 -7.451 3.348 1.00 0.00 C ATOM 304 C LYS A 20 -1.775 -7.110 3.578 1.00 0.00 C ATOM 305 O LYS A 20 -2.099 -6.366 4.507 1.00 0.00 O ATOM 306 CB LYS A 20 0.212 -8.241 4.549 1.00 0.00 C ATOM 307 CG LYS A 20 1.599 -8.833 4.360 1.00 0.00 C ATOM 308 CD LYS A 20 1.559 -10.120 3.557 1.00 0.00 C ATOM 309 CE LYS A 20 2.934 -10.766 3.478 1.00 0.00 C ATOM 310 NZ LYS A 20 2.885 -12.105 2.832 1.00 0.00 N ATOM 0 H LYS A 20 0.825 -5.839 4.039 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.211 -8.060 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.227 -7.585 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.486 -9.049 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.237 -8.109 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.047 -9.027 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.854 -10.815 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.194 -9.912 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.607 -10.118 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.347 -10.863 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.845 -12.502 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.276 -12.738 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.499 -12.013 1.871 1.00 0.00 H new ATOM 324 N ASP A 21 -2.654 -7.636 2.745 1.00 0.00 N ATOM 325 CA ASP A 21 -4.078 -7.391 2.928 1.00 0.00 C ATOM 326 C ASP A 21 -4.695 -8.470 3.799 1.00 0.00 C ATOM 327 O ASP A 21 -4.033 -9.439 4.182 1.00 0.00 O ATOM 328 CB ASP A 21 -4.836 -7.289 1.595 1.00 0.00 C ATOM 329 CG ASP A 21 -4.686 -8.504 0.696 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.963 -9.627 1.155 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.312 -8.331 -0.483 1.00 0.00 O ATOM 0 H ASP A 21 -2.416 -8.226 1.948 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.171 -6.426 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.895 -7.134 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.485 -6.408 1.057 1.00 0.00 H new ATOM 336 N GLU A 22 -5.965 -8.292 4.110 1.00 0.00 N ATOM 337 CA GLU A 22 -6.687 -9.229 4.945 1.00 0.00 C ATOM 338 C GLU A 22 -7.470 -10.214 4.077 1.00 0.00 C ATOM 339 O GLU A 22 -8.463 -10.803 4.511 1.00 0.00 O ATOM 340 CB GLU A 22 -7.618 -8.458 5.880 1.00 0.00 C ATOM 341 CG GLU A 22 -6.891 -7.427 6.737 1.00 0.00 C ATOM 342 CD GLU A 22 -7.752 -6.851 7.845 1.00 0.00 C ATOM 343 OE1 GLU A 22 -8.978 -6.713 7.655 1.00 0.00 O ATOM 344 OE2 GLU A 22 -7.202 -6.523 8.920 1.00 0.00 O ATOM 0 H GLU A 22 -6.521 -7.498 3.792 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.983 -9.803 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.382 -7.954 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.134 -9.164 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.007 -7.889 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.542 -6.615 6.098 1.00 0.00 H new ATOM 351 N ASN A 23 -6.993 -10.402 2.856 1.00 0.00 N ATOM 352 CA ASN A 23 -7.652 -11.274 1.894 1.00 0.00 C ATOM 353 C ASN A 23 -6.757 -12.449 1.497 1.00 0.00 C ATOM 354 O ASN A 23 -7.196 -13.602 1.509 1.00 0.00 O ATOM 355 CB ASN A 23 -8.053 -10.475 0.646 1.00 0.00 C ATOM 356 CG ASN A 23 -8.610 -11.351 -0.460 1.00 0.00 C ATOM 357 OD1 ASN A 23 -9.805 -11.632 -0.504 1.00 0.00 O ATOM 358 ND2 ASN A 23 -7.748 -11.775 -1.369 1.00 0.00 N ATOM 0 H ASN A 23 -6.144 -9.958 2.505 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.546 -11.678 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.798 -9.729 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.184 -9.934 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.068 -12.358 -2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.763 -11.519 -1.296 1.00 0.00 H new ATOM 365 N GLY A 24 -5.506 -12.161 1.144 1.00 0.00 N ATOM 366 CA GLY A 24 -4.625 -13.201 0.652 1.00 0.00 C ATOM 367 C GLY A 24 -3.182 -13.050 1.099 1.00 0.00 C ATOM 368 O GLY A 24 -2.709 -13.820 1.936 1.00 0.00 O ATOM 0 H GLY A 24 -5.091 -11.230 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.999 -14.168 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.659 -13.206 -0.437 1.00 0.00 H new ATOM 372 N ASP A 25 -2.483 -12.056 0.559 1.00 0.00 N ATOM 373 CA ASP A 25 -1.038 -11.948 0.751 1.00 0.00 C ATOM 374 C ASP A 25 -0.590 -10.498 0.560 1.00 0.00 C ATOM 375 O ASP A 25 -1.370 -9.568 0.765 1.00 0.00 O ATOM 376 CB ASP A 25 -0.311 -12.867 -0.246 1.00 0.00 C ATOM 377 CG ASP A 25 1.043 -13.353 0.255 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.984 -12.533 0.371 1.00 0.00 O ATOM 379 OD2 ASP A 25 1.179 -14.562 0.522 1.00 0.00 O ATOM 0 H ASP A 25 -2.890 -11.316 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.788 -12.258 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.942 -13.730 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.172 -12.333 -1.186 1.00 0.00 H new ATOM 384 N ASN A 26 0.668 -10.317 0.183 1.00 0.00 N ATOM 385 CA ASN A 26 1.241 -8.999 -0.014 1.00 0.00 C ATOM 386 C ASN A 26 1.005 -8.520 -1.438 1.00 0.00 C ATOM 387 O ASN A 26 0.848 -9.323 -2.359 1.00 0.00 O ATOM 388 CB ASN A 26 2.745 -9.035 0.288 1.00 0.00 C ATOM 389 CG ASN A 26 3.585 -9.551 -0.872 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.133 -8.772 -1.648 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.679 -10.866 -1.008 1.00 0.00 N ATOM 0 H ASN A 26 1.318 -11.083 0.006 1.00 0.00 H new ATOM 0 HA ASN A 26 0.755 -8.302 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.079 -8.031 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.917 -9.666 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.220 -11.262 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.210 -11.482 -0.344 1.00 0.00 H new ATOM 398 N ARG A 27 0.957 -7.212 -1.606 1.00 0.00 N ATOM 399 CA ARG A 27 0.785 -6.616 -2.917 1.00 0.00 C ATOM 400 C ARG A 27 1.913 -5.637 -3.196 1.00 0.00 C ATOM 401 O ARG A 27 2.448 -5.010 -2.280 1.00 0.00 O ATOM 402 CB ARG A 27 -0.584 -5.939 -3.013 1.00 0.00 C ATOM 403 CG ARG A 27 -1.720 -6.902 -2.723 1.00 0.00 C ATOM 404 CD ARG A 27 -3.079 -6.348 -3.109 1.00 0.00 C ATOM 405 NE ARG A 27 -4.114 -7.358 -2.918 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.812 -7.920 -3.903 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.697 -7.472 -5.152 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.645 -8.915 -3.632 1.00 0.00 N ATOM 0 H ARG A 27 1.035 -6.538 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 27 0.824 -7.397 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.626 -5.107 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.711 -5.520 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.547 -7.833 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.721 -7.145 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.305 -5.469 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.065 -6.025 -4.150 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.317 -7.654 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.071 -6.694 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.235 -7.907 -5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.749 -9.246 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.182 -9.349 -4.383 1.00 0.00 H new ATOM 422 N TYR A 28 2.284 -5.540 -4.461 1.00 0.00 N ATOM 423 CA TYR A 28 3.371 -4.677 -4.890 1.00 0.00 C ATOM 424 C TYR A 28 2.844 -3.274 -5.161 1.00 0.00 C ATOM 425 O TYR A 28 2.044 -3.068 -6.077 1.00 0.00 O ATOM 426 CB TYR A 28 4.007 -5.279 -6.150 1.00 0.00 C ATOM 427 CG TYR A 28 5.187 -4.512 -6.710 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.422 -4.538 -6.076 1.00 0.00 C ATOM 429 CD2 TYR A 28 5.072 -3.793 -7.893 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.507 -3.864 -6.602 1.00 0.00 C ATOM 431 CE2 TYR A 28 6.151 -3.113 -8.422 1.00 0.00 C ATOM 432 CZ TYR A 28 7.366 -3.154 -7.774 1.00 0.00 C ATOM 433 OH TYR A 28 8.447 -2.490 -8.305 1.00 0.00 O ATOM 0 H TYR A 28 1.840 -6.057 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 28 4.127 -4.605 -4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.330 -6.295 -5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.242 -5.352 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.536 -5.094 -5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.123 -3.765 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.461 -3.894 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.043 -2.552 -9.339 1.00 0.00 H new ATOM 0 HH TYR A 28 8.332 -1.525 -8.180 1.00 0.00 H new ATOM 443 N PHE A 29 3.274 -2.320 -4.353 1.00 0.00 N ATOM 444 CA PHE A 29 2.781 -0.958 -4.467 1.00 0.00 C ATOM 445 C PHE A 29 3.807 -0.034 -5.097 1.00 0.00 C ATOM 446 O PHE A 29 5.017 -0.222 -4.960 1.00 0.00 O ATOM 447 CB PHE A 29 2.377 -0.402 -3.104 1.00 0.00 C ATOM 448 CG PHE A 29 1.141 -1.038 -2.526 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.171 -2.330 -2.036 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.052 -0.338 -2.479 1.00 0.00 C ATOM 451 CE1 PHE A 29 0.036 -2.914 -1.509 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.190 -0.917 -1.952 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.146 -2.206 -1.467 1.00 0.00 C ATOM 0 H PHE A 29 3.961 -2.463 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 29 1.906 -1.000 -5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.204 -0.540 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.212 0.672 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.094 -2.890 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.094 0.672 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.074 -3.925 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.114 -0.359 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.035 -2.660 -1.055 1.00 0.00 H new ATOM 463 N HIS A 30 3.292 0.967 -5.777 1.00 0.00 N ATOM 464 CA HIS A 30 4.090 1.998 -6.403 1.00 0.00 C ATOM 465 C HIS A 30 3.547 3.353 -5.958 1.00 0.00 C ATOM 466 O HIS A 30 2.342 3.582 -6.027 1.00 0.00 O ATOM 467 CB HIS A 30 3.998 1.843 -7.925 1.00 0.00 C ATOM 468 CG HIS A 30 4.924 2.712 -8.727 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.253 4.007 -8.391 1.00 0.00 N ATOM 470 CD2 HIS A 30 5.547 2.466 -9.901 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.023 4.523 -9.332 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.223 3.607 -10.258 1.00 0.00 N ATOM 0 H HIS A 30 2.288 1.089 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 30 5.137 1.918 -6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.197 0.802 -8.178 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.974 2.055 -8.232 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.518 1.541 -10.457 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.422 5.527 -9.341 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.786 3.726 -11.100 1.00 0.00 H new ATOM 481 N VAL A 31 4.434 4.233 -5.504 1.00 0.00 N ATOM 482 CA VAL A 31 4.055 5.541 -4.948 1.00 0.00 C ATOM 483 C VAL A 31 3.038 6.306 -5.819 1.00 0.00 C ATOM 484 O VAL A 31 2.184 7.023 -5.299 1.00 0.00 O ATOM 485 CB VAL A 31 5.314 6.416 -4.726 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.040 6.684 -6.040 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.960 7.721 -4.024 1.00 0.00 C ATOM 0 H VAL A 31 5.440 4.065 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 31 3.566 5.337 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 31 5.991 5.859 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.919 7.300 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.349 5.738 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.372 7.205 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.863 8.314 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.250 8.281 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.513 7.503 -3.054 1.00 0.00 H new ATOM 497 N ILE A 32 3.104 6.119 -7.134 1.00 0.00 N ATOM 498 CA ILE A 32 2.274 6.882 -8.060 1.00 0.00 C ATOM 499 C ILE A 32 0.821 6.390 -8.052 1.00 0.00 C ATOM 500 O ILE A 32 -0.100 7.116 -8.420 1.00 0.00 O ATOM 501 CB ILE A 32 2.850 6.813 -9.494 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.067 7.731 -10.416 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.816 5.388 -10.027 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.826 8.149 -11.658 1.00 0.00 C ATOM 0 H ILE A 32 3.724 5.445 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 32 2.281 7.919 -7.725 1.00 0.00 H new ATOM 0 HB ILE A 32 3.889 7.141 -9.459 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.147 7.229 -10.716 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.777 8.624 -9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.226 5.367 -11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.411 4.743 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.786 5.031 -10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.199 8.803 -12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.732 8.681 -11.369 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.093 7.264 -12.236 1.00 0.00 H new ATOM 516 N LYS A 33 0.627 5.160 -7.608 1.00 0.00 N ATOM 517 CA LYS A 33 -0.703 4.555 -7.571 1.00 0.00 C ATOM 518 C LYS A 33 -1.383 4.804 -6.228 1.00 0.00 C ATOM 519 O LYS A 33 -2.504 4.353 -5.995 1.00 0.00 O ATOM 520 CB LYS A 33 -0.617 3.050 -7.839 1.00 0.00 C ATOM 521 CG LYS A 33 -0.123 2.706 -9.236 1.00 0.00 C ATOM 522 CD LYS A 33 -1.004 3.335 -10.301 1.00 0.00 C ATOM 523 CE LYS A 33 -0.546 2.969 -11.700 1.00 0.00 C ATOM 524 NZ LYS A 33 -1.387 3.618 -12.736 1.00 0.00 N ATOM 0 H LYS A 33 1.374 4.555 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.302 5.022 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.050 2.597 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.602 2.607 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.903 3.053 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.110 1.624 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.034 3.009 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.994 4.419 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.493 3.269 -11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.584 1.887 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.046 3.346 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.375 3.312 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.331 4.651 -12.632 1.00 0.00 H new ATOM 538 N VAL A 34 -0.699 5.521 -5.354 1.00 0.00 N ATOM 539 CA VAL A 34 -1.243 5.853 -4.047 1.00 0.00 C ATOM 540 C VAL A 34 -1.860 7.249 -4.087 1.00 0.00 C ATOM 541 O VAL A 34 -1.349 8.136 -4.773 1.00 0.00 O ATOM 542 CB VAL A 34 -0.149 5.794 -2.955 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.752 5.955 -1.568 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.636 4.494 -3.049 1.00 0.00 C ATOM 0 H VAL A 34 0.238 5.886 -5.526 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.010 5.119 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 34 0.537 6.624 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.039 5.910 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.260 6.917 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.468 5.154 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.400 4.473 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.041 3.650 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.112 4.426 -4.027 1.00 0.00 H new ATOM 554 N ALA A 35 -2.965 7.438 -3.380 1.00 0.00 N ATOM 555 CA ALA A 35 -3.632 8.732 -3.345 1.00 0.00 C ATOM 556 C ALA A 35 -2.931 9.663 -2.366 1.00 0.00 C ATOM 557 O ALA A 35 -2.716 10.842 -2.650 1.00 0.00 O ATOM 558 CB ALA A 35 -5.094 8.564 -2.963 1.00 0.00 C ATOM 0 H ALA A 35 -3.418 6.713 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.583 9.175 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.579 9.540 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.591 7.928 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.162 8.103 -1.978 1.00 0.00 H new ATOM 564 N ASN A 36 -2.573 9.115 -1.216 1.00 0.00 N ATOM 565 CA ASN A 36 -1.852 9.859 -0.191 1.00 0.00 C ATOM 566 C ASN A 36 -0.597 9.094 0.232 1.00 0.00 C ATOM 567 O ASN A 36 -0.548 8.479 1.297 1.00 0.00 O ATOM 568 CB ASN A 36 -2.765 10.161 1.015 1.00 0.00 C ATOM 569 CG ASN A 36 -3.451 8.931 1.601 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.655 7.922 0.927 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.840 9.015 2.865 1.00 0.00 N ATOM 0 H ASN A 36 -2.772 8.146 -0.966 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.539 10.816 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.172 10.639 1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.527 10.878 0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.322 8.230 3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.657 9.864 3.399 1.00 0.00 H new ATOM 578 N PRO A 37 0.444 9.121 -0.620 1.00 0.00 N ATOM 579 CA PRO A 37 1.640 8.299 -0.441 1.00 0.00 C ATOM 580 C PRO A 37 2.641 8.875 0.554 1.00 0.00 C ATOM 581 O PRO A 37 3.517 8.164 1.044 1.00 0.00 O ATOM 582 CB PRO A 37 2.242 8.273 -1.842 1.00 0.00 C ATOM 583 CG PRO A 37 1.858 9.583 -2.442 1.00 0.00 C ATOM 584 CD PRO A 37 0.532 9.962 -1.832 1.00 0.00 C ATOM 0 HA PRO A 37 1.393 7.321 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.325 8.156 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.851 7.440 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.612 10.341 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.778 9.504 -3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.495 11.023 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.293 9.764 -2.516 1.00 0.00 H new ATOM 592 N ASP A 38 2.516 10.155 0.862 1.00 0.00 N ATOM 593 CA ASP A 38 3.452 10.789 1.782 1.00 0.00 C ATOM 594 C ASP A 38 2.940 10.665 3.206 1.00 0.00 C ATOM 595 O ASP A 38 3.644 10.963 4.170 1.00 0.00 O ATOM 596 CB ASP A 38 3.666 12.253 1.415 1.00 0.00 C ATOM 597 CG ASP A 38 4.908 12.830 2.066 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.997 12.241 1.891 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.803 13.868 2.755 1.00 0.00 O ATOM 0 H ASP A 38 1.789 10.770 0.497 1.00 0.00 H new ATOM 0 HA ASP A 38 4.413 10.281 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.749 12.346 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.795 12.833 1.719 1.00 0.00 H new ATOM 604 N LEU A 39 1.709 10.195 3.323 1.00 0.00 N ATOM 605 CA LEU A 39 1.088 9.964 4.609 1.00 0.00 C ATOM 606 C LEU A 39 1.251 8.503 5.000 1.00 0.00 C ATOM 607 O LEU A 39 0.775 8.064 6.048 1.00 0.00 O ATOM 608 CB LEU A 39 -0.392 10.337 4.552 1.00 0.00 C ATOM 609 CG LEU A 39 -0.685 11.822 4.313 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.186 12.068 4.259 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.044 12.682 5.396 1.00 0.00 C ATOM 0 H LEU A 39 1.115 9.964 2.527 1.00 0.00 H new ATOM 0 HA LEU A 39 1.573 10.588 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.865 9.758 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.862 10.037 5.489 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.252 12.103 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.375 13.128 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.621 11.487 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.638 11.766 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.266 13.732 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.443 12.398 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.036 12.532 5.388 1.00 0.00 H new ATOM 623 N ILE A 40 1.927 7.759 4.136 1.00 0.00 N ATOM 624 CA ILE A 40 2.202 6.354 4.374 1.00 0.00 C ATOM 625 C ILE A 40 3.184 6.179 5.529 1.00 0.00 C ATOM 626 O ILE A 40 4.252 6.797 5.556 1.00 0.00 O ATOM 627 CB ILE A 40 2.769 5.677 3.107 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.702 5.610 2.013 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.296 4.284 3.425 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.162 4.912 0.751 1.00 0.00 C ATOM 0 H ILE A 40 2.298 8.113 3.254 1.00 0.00 H new ATOM 0 HA ILE A 40 1.258 5.877 4.636 1.00 0.00 H new ATOM 0 HB ILE A 40 3.601 6.279 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.826 5.092 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.388 6.623 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.690 3.828 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.090 4.356 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.486 3.669 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.351 4.905 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.019 5.441 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.448 3.887 0.986 1.00 0.00 H new ATOM 642 N LYS A 41 2.804 5.352 6.489 1.00 0.00 N ATOM 643 CA LYS A 41 3.677 5.013 7.603 1.00 0.00 C ATOM 644 C LYS A 41 3.903 3.513 7.633 1.00 0.00 C ATOM 645 O LYS A 41 3.102 2.748 7.100 1.00 0.00 O ATOM 646 CB LYS A 41 3.067 5.439 8.941 1.00 0.00 C ATOM 647 CG LYS A 41 2.732 6.918 9.038 1.00 0.00 C ATOM 648 CD LYS A 41 2.030 7.261 10.351 1.00 0.00 C ATOM 649 CE LYS A 41 2.948 7.130 11.564 1.00 0.00 C ATOM 650 NZ LYS A 41 3.142 5.717 12.002 1.00 0.00 N ATOM 0 H LYS A 41 1.890 4.900 6.520 1.00 0.00 H new ATOM 0 HA LYS A 41 4.619 5.543 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.158 4.862 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.762 5.184 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.647 7.503 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.094 7.201 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.648 8.281 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.169 6.605 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.918 7.567 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.532 7.706 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.037 5.656 13.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.431 5.111 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.094 5.397 11.732 1.00 0.00 H new ATOM 664 N LYS A 42 4.985 3.097 8.259 1.00 0.00 N ATOM 665 CA LYS A 42 5.220 1.684 8.487 1.00 0.00 C ATOM 666 C LYS A 42 4.413 1.258 9.704 1.00 0.00 C ATOM 667 O LYS A 42 4.320 2.015 10.673 1.00 0.00 O ATOM 668 CB LYS A 42 6.714 1.412 8.689 1.00 0.00 C ATOM 669 CG LYS A 42 7.078 -0.062 8.669 1.00 0.00 C ATOM 670 CD LYS A 42 8.583 -0.258 8.748 1.00 0.00 C ATOM 671 CE LYS A 42 8.963 -1.730 8.682 1.00 0.00 C ATOM 672 NZ LYS A 42 8.490 -2.486 9.874 1.00 0.00 N ATOM 0 H LYS A 42 5.714 3.714 8.618 1.00 0.00 H new ATOM 0 HA LYS A 42 4.903 1.105 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.276 1.926 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.026 1.841 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.598 -0.569 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.696 -0.521 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.063 0.279 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.958 0.173 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.539 -2.173 7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.046 -1.821 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.871 -3.453 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.818 -2.011 10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.451 -2.523 9.872 1.00 0.00 H new ATOM 686 N ASP A 43 3.812 0.070 9.637 1.00 0.00 N ATOM 687 CA ASP A 43 2.872 -0.388 10.661 1.00 0.00 C ATOM 688 C ASP A 43 1.652 0.534 10.675 1.00 0.00 C ATOM 689 O ASP A 43 1.323 1.161 11.684 1.00 0.00 O ATOM 690 CB ASP A 43 3.535 -0.447 12.048 1.00 0.00 C ATOM 691 CG ASP A 43 2.615 -0.990 13.127 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.329 -2.206 13.124 1.00 0.00 O ATOM 693 OD2 ASP A 43 2.185 -0.205 13.996 1.00 0.00 O ATOM 0 H ASP A 43 3.961 -0.597 8.879 1.00 0.00 H new ATOM 0 HA ASP A 43 2.554 -1.402 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.427 -1.072 11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.864 0.553 12.329 1.00 0.00 H new ATOM 698 N ALA A 44 1.016 0.649 9.518 1.00 0.00 N ATOM 699 CA ALA A 44 -0.193 1.450 9.376 1.00 0.00 C ATOM 700 C ALA A 44 -1.211 0.716 8.515 1.00 0.00 C ATOM 701 O ALA A 44 -0.857 -0.208 7.777 1.00 0.00 O ATOM 702 CB ALA A 44 0.136 2.808 8.769 1.00 0.00 C ATOM 0 H ALA A 44 1.320 0.194 8.657 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.623 1.610 10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.778 3.393 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.836 3.336 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.585 2.668 7.786 1.00 0.00 H new ATOM 708 N ALA A 45 -2.471 1.127 8.602 1.00 0.00 N ATOM 709 CA ALA A 45 -3.536 0.479 7.856 1.00 0.00 C ATOM 710 C ALA A 45 -3.914 1.302 6.633 1.00 0.00 C ATOM 711 O ALA A 45 -3.963 2.533 6.691 1.00 0.00 O ATOM 712 CB ALA A 45 -4.748 0.265 8.746 1.00 0.00 C ATOM 0 H ALA A 45 -2.777 1.907 9.183 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.176 -0.492 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.538 -0.221 8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.472 -0.365 9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.105 1.228 9.112 1.00 0.00 H new ATOM 718 N VAL A 46 -4.170 0.622 5.527 1.00 0.00 N ATOM 719 CA VAL A 46 -4.544 1.288 4.288 1.00 0.00 C ATOM 720 C VAL A 46 -5.723 0.588 3.629 1.00 0.00 C ATOM 721 O VAL A 46 -6.032 -0.562 3.944 1.00 0.00 O ATOM 722 CB VAL A 46 -3.376 1.331 3.280 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.251 2.213 3.788 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.861 -0.073 2.997 1.00 0.00 C ATOM 0 H VAL A 46 -4.126 -0.395 5.461 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.818 2.308 4.557 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.751 1.759 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.441 2.226 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.622 3.227 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.880 1.821 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.038 -0.022 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.510 -0.526 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.665 -0.678 2.579 1.00 0.00 H new ATOM 734 N THR A 47 -6.375 1.293 2.721 1.00 0.00 N ATOM 735 CA THR A 47 -7.458 0.735 1.933 1.00 0.00 C ATOM 736 C THR A 47 -7.190 0.973 0.450 1.00 0.00 C ATOM 737 O THR A 47 -6.708 2.040 0.069 1.00 0.00 O ATOM 738 CB THR A 47 -8.820 1.343 2.326 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.722 2.775 2.401 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.299 0.796 3.664 1.00 0.00 C ATOM 0 H THR A 47 -6.168 2.269 2.510 1.00 0.00 H new ATOM 0 HA THR A 47 -7.503 -0.336 2.132 1.00 0.00 H new ATOM 0 HB THR A 47 -9.543 1.067 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.593 3.150 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.261 1.242 3.916 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.407 -0.287 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.572 1.041 4.438 1.00 0.00 H new ATOM 748 N PHE A 48 -7.487 -0.019 -0.379 1.00 0.00 N ATOM 749 CA PHE A 48 -7.133 0.041 -1.793 1.00 0.00 C ATOM 750 C PHE A 48 -8.023 -0.860 -2.641 1.00 0.00 C ATOM 751 O PHE A 48 -8.795 -1.664 -2.116 1.00 0.00 O ATOM 752 CB PHE A 48 -5.667 -0.368 -1.975 1.00 0.00 C ATOM 753 CG PHE A 48 -5.282 -1.600 -1.194 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.662 -2.864 -1.621 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.545 -1.489 -0.025 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.313 -3.989 -0.901 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.194 -2.612 0.698 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.577 -3.863 0.261 1.00 0.00 C ATOM 0 H PHE A 48 -7.970 -0.872 -0.099 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.281 1.067 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.477 -0.545 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.027 0.460 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.238 -2.969 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.242 -0.513 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.615 -4.967 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.619 -2.511 1.607 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.302 -4.742 0.826 1.00 0.00 H new ATOM 768 N GLU A 49 -7.902 -0.724 -3.955 1.00 0.00 N ATOM 769 CA GLU A 49 -8.623 -1.580 -4.883 1.00 0.00 C ATOM 770 C GLU A 49 -7.836 -2.865 -5.120 1.00 0.00 C ATOM 771 O GLU A 49 -6.607 -2.839 -5.191 1.00 0.00 O ATOM 772 CB GLU A 49 -8.820 -0.866 -6.224 1.00 0.00 C ATOM 773 CG GLU A 49 -9.577 0.446 -6.134 1.00 0.00 C ATOM 774 CD GLU A 49 -11.031 0.270 -5.741 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.752 -0.486 -6.428 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.467 0.906 -4.761 1.00 0.00 O ATOM 0 H GLU A 49 -7.308 -0.025 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.596 -1.814 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.842 -0.677 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.354 -1.533 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.086 1.092 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.526 0.954 -7.097 1.00 0.00 H new ATOM 783 N PRO A 50 -8.525 -4.004 -5.250 1.00 0.00 N ATOM 784 CA PRO A 50 -7.891 -5.266 -5.607 1.00 0.00 C ATOM 785 C PRO A 50 -7.614 -5.342 -7.103 1.00 0.00 C ATOM 786 O PRO A 50 -8.479 -5.010 -7.918 1.00 0.00 O ATOM 787 CB PRO A 50 -8.925 -6.329 -5.207 1.00 0.00 C ATOM 788 CG PRO A 50 -10.054 -5.592 -4.561 1.00 0.00 C ATOM 789 CD PRO A 50 -9.961 -4.169 -5.031 1.00 0.00 C ATOM 0 HA PRO A 50 -6.929 -5.395 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.271 -6.883 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.491 -7.055 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.012 -6.030 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.982 -5.647 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.533 -4.005 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.341 -3.470 -4.287 1.00 0.00 H new ATOM 797 N THR A 51 -6.415 -5.769 -7.462 1.00 0.00 N ATOM 798 CA THR A 51 -6.046 -5.897 -8.857 1.00 0.00 C ATOM 799 C THR A 51 -4.770 -6.722 -8.982 1.00 0.00 C ATOM 800 O THR A 51 -3.955 -6.763 -8.056 1.00 0.00 O ATOM 801 CB THR A 51 -5.851 -4.504 -9.506 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.532 -4.628 -10.897 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.754 -3.726 -8.798 1.00 0.00 C ATOM 0 H THR A 51 -5.681 -6.033 -6.804 1.00 0.00 H new ATOM 0 HA THR A 51 -6.853 -6.406 -9.384 1.00 0.00 H new ATOM 0 HB THR A 51 -6.790 -3.960 -9.407 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.050 -3.828 -11.195 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.635 -2.751 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.022 -3.590 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.816 -4.278 -8.864 1.00 0.00 H new ATOM 811 N THR A 52 -4.605 -7.397 -10.099 1.00 0.00 N ATOM 812 CA THR A 52 -3.413 -8.190 -10.329 1.00 0.00 C ATOM 813 C THR A 52 -2.814 -7.844 -11.682 1.00 0.00 C ATOM 814 O THR A 52 -3.534 -7.539 -12.630 1.00 0.00 O ATOM 815 CB THR A 52 -3.724 -9.693 -10.285 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.724 -9.951 -9.288 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.473 -10.500 -9.964 1.00 0.00 C ATOM 0 H THR A 52 -5.280 -7.414 -10.863 1.00 0.00 H new ATOM 0 HA THR A 52 -2.702 -7.960 -9.536 1.00 0.00 H new ATOM 0 HB THR A 52 -4.090 -9.994 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.922 -10.911 -9.263 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.721 -11.561 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.718 -10.322 -10.730 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.083 -10.196 -8.993 1.00 0.00 H new ATOM 825 N ASN A 53 -1.502 -7.891 -11.766 1.00 0.00 N ATOM 826 CA ASN A 53 -0.810 -7.555 -13.000 1.00 0.00 C ATOM 827 C ASN A 53 -0.356 -8.827 -13.697 1.00 0.00 C ATOM 828 O ASN A 53 -0.907 -9.208 -14.730 1.00 0.00 O ATOM 829 CB ASN A 53 0.385 -6.632 -12.724 1.00 0.00 C ATOM 830 CG ASN A 53 -0.002 -5.159 -12.637 1.00 0.00 C ATOM 831 OD1 ASN A 53 0.770 -4.283 -13.032 1.00 0.00 O ATOM 832 ND2 ASN A 53 -1.188 -4.870 -12.118 1.00 0.00 N ATOM 0 H ASN A 53 -0.889 -8.158 -10.996 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.499 -7.020 -13.653 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.860 -6.932 -11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.125 -6.761 -13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.486 -3.898 -12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.802 -5.620 -11.801 1.00 0.00 H new ATOM 839 N ASN A 54 0.624 -9.493 -13.103 1.00 0.00 N ATOM 840 CA ASN A 54 1.142 -10.753 -13.627 1.00 0.00 C ATOM 841 C ASN A 54 2.172 -11.315 -12.661 1.00 0.00 C ATOM 842 O ASN A 54 2.049 -12.443 -12.187 1.00 0.00 O ATOM 843 CB ASN A 54 1.779 -10.548 -15.011 1.00 0.00 C ATOM 844 CG ASN A 54 2.202 -11.848 -15.686 1.00 0.00 C ATOM 845 OD1 ASN A 54 2.556 -12.831 -15.034 1.00 0.00 O ATOM 846 ND2 ASN A 54 2.164 -11.857 -17.006 1.00 0.00 N ATOM 0 H ASN A 54 1.082 -9.179 -12.248 1.00 0.00 H new ATOM 0 HA ASN A 54 0.316 -11.456 -13.733 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.070 -10.028 -15.655 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.650 -9.901 -14.909 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.433 -12.697 -17.518 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.865 -11.024 -17.513 1.00 0.00 H new ATOM 853 N LYS A 55 3.169 -10.499 -12.348 1.00 0.00 N ATOM 854 CA LYS A 55 4.281 -10.918 -11.511 1.00 0.00 C ATOM 855 C LYS A 55 3.982 -10.707 -10.026 1.00 0.00 C ATOM 856 O LYS A 55 4.892 -10.701 -9.196 1.00 0.00 O ATOM 857 CB LYS A 55 5.528 -10.137 -11.918 1.00 0.00 C ATOM 858 CG LYS A 55 5.929 -10.366 -13.367 1.00 0.00 C ATOM 859 CD LYS A 55 7.079 -9.465 -13.788 1.00 0.00 C ATOM 860 CE LYS A 55 6.702 -7.996 -13.687 1.00 0.00 C ATOM 861 NZ LYS A 55 7.796 -7.108 -14.155 1.00 0.00 N ATOM 0 H LYS A 55 3.229 -9.532 -12.666 1.00 0.00 H new ATOM 0 HA LYS A 55 4.445 -11.986 -11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.351 -9.073 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.356 -10.422 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.216 -11.409 -13.503 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.071 -10.185 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.947 -9.663 -13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.369 -9.698 -14.813 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.806 -7.810 -14.279 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.457 -7.755 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.498 -6.115 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.644 -7.266 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.013 -7.320 -15.150 1.00 0.00 H new ATOM 875 N GLY A 56 2.708 -10.544 -9.692 1.00 0.00 N ATOM 876 CA GLY A 56 2.323 -10.399 -8.304 1.00 0.00 C ATOM 877 C GLY A 56 1.026 -9.639 -8.144 1.00 0.00 C ATOM 878 O GLY A 56 0.490 -9.098 -9.118 1.00 0.00 O ATOM 0 H GLY A 56 1.936 -10.510 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.221 -11.386 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.114 -9.881 -7.762 1.00 0.00 H new ATOM 882 N LEU A 57 0.515 -9.609 -6.917 1.00 0.00 N ATOM 883 CA LEU A 57 -0.692 -8.867 -6.602 1.00 0.00 C ATOM 884 C LEU A 57 -0.393 -7.374 -6.555 1.00 0.00 C ATOM 885 O LEU A 57 0.746 -6.969 -6.321 1.00 0.00 O ATOM 886 CB LEU A 57 -1.257 -9.328 -5.257 1.00 0.00 C ATOM 887 CG LEU A 57 -1.748 -10.775 -5.211 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.193 -11.140 -3.804 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.886 -10.983 -6.200 1.00 0.00 C ATOM 0 H LEU A 57 0.926 -10.096 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.432 -9.055 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.487 -9.199 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.085 -8.673 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.923 -11.429 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.540 -12.173 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.354 -11.028 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.005 -10.480 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.223 -12.018 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.714 -10.320 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.537 -10.759 -7.208 1.00 0.00 H new ATOM 901 N SER A 58 -1.409 -6.560 -6.769 1.00 0.00 N ATOM 902 CA SER A 58 -1.225 -5.124 -6.832 1.00 0.00 C ATOM 903 C SER A 58 -2.453 -4.400 -6.312 1.00 0.00 C ATOM 904 O SER A 58 -3.489 -5.022 -6.060 1.00 0.00 O ATOM 905 CB SER A 58 -0.914 -4.691 -8.264 1.00 0.00 C ATOM 906 OG SER A 58 -1.622 -5.492 -9.201 1.00 0.00 O ATOM 0 H SER A 58 -2.372 -6.870 -6.902 1.00 0.00 H new ATOM 0 HA SER A 58 -0.380 -4.858 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.183 -3.643 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.157 -4.771 -8.448 1.00 0.00 H new ATOM 0 HG SER A 58 -2.389 -5.911 -8.759 1.00 0.00 H new ATOM 912 N ALA A 59 -2.321 -3.099 -6.112 1.00 0.00 N ATOM 913 CA ALA A 59 -3.430 -2.292 -5.632 1.00 0.00 C ATOM 914 C ALA A 59 -3.356 -0.867 -6.168 1.00 0.00 C ATOM 915 O ALA A 59 -2.269 -0.302 -6.309 1.00 0.00 O ATOM 916 CB ALA A 59 -3.452 -2.285 -4.115 1.00 0.00 C ATOM 0 H ALA A 59 -1.458 -2.580 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.354 -2.737 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.287 -1.677 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.567 -3.305 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.518 -1.868 -3.739 1.00 0.00 H new ATOM 922 N TYR A 60 -4.516 -0.299 -6.471 1.00 0.00 N ATOM 923 CA TYR A 60 -4.604 1.083 -6.932 1.00 0.00 C ATOM 924 C TYR A 60 -5.508 1.870 -5.995 1.00 0.00 C ATOM 925 O TYR A 60 -6.193 1.274 -5.159 1.00 0.00 O ATOM 926 CB TYR A 60 -5.160 1.167 -8.355 1.00 0.00 C ATOM 927 CG TYR A 60 -4.440 0.311 -9.373 1.00 0.00 C ATOM 928 CD1 TYR A 60 -3.062 0.382 -9.533 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.149 -0.565 -10.181 1.00 0.00 C ATOM 930 CE1 TYR A 60 -2.412 -0.400 -10.471 1.00 0.00 C ATOM 931 CE2 TYR A 60 -4.510 -1.348 -11.117 1.00 0.00 C ATOM 932 CZ TYR A 60 -3.141 -1.265 -11.260 1.00 0.00 C ATOM 933 OH TYR A 60 -2.505 -2.049 -12.193 1.00 0.00 O ATOM 0 H TYR A 60 -5.415 -0.776 -6.406 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.598 1.503 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.211 0.877 -8.336 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.122 2.206 -8.683 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.489 1.058 -8.916 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.221 -0.635 -10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.340 -0.334 -10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.079 -2.025 -11.737 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.166 -2.601 -12.662 1.00 0.00 H new ATOM 943 N ALA A 61 -5.505 3.200 -6.138 1.00 0.00 N ATOM 944 CA ALA A 61 -6.345 4.077 -5.319 1.00 0.00 C ATOM 945 C ALA A 61 -6.045 3.884 -3.837 1.00 0.00 C ATOM 946 O ALA A 61 -6.941 3.930 -2.992 1.00 0.00 O ATOM 947 CB ALA A 61 -7.822 3.827 -5.610 1.00 0.00 C ATOM 0 H ALA A 61 -4.926 3.693 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.115 5.111 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.431 4.487 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.024 4.025 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.067 2.789 -5.383 1.00 0.00 H new ATOM 953 N VAL A 62 -4.769 3.688 -3.535 1.00 0.00 N ATOM 954 CA VAL A 62 -4.334 3.399 -2.179 1.00 0.00 C ATOM 955 C VAL A 62 -4.533 4.603 -1.270 1.00 0.00 C ATOM 956 O VAL A 62 -3.907 5.649 -1.457 1.00 0.00 O ATOM 957 CB VAL A 62 -2.853 2.983 -2.145 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.466 2.465 -0.768 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.568 1.940 -3.214 1.00 0.00 C ATOM 0 H VAL A 62 -4.013 3.725 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.946 2.572 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.246 3.864 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.415 2.177 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.627 3.247 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.079 1.598 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.516 1.657 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.187 1.060 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.797 2.354 -4.196 1.00 0.00 H new ATOM 969 N LYS A 63 -5.415 4.450 -0.298 1.00 0.00 N ATOM 970 CA LYS A 63 -5.672 5.488 0.676 1.00 0.00 C ATOM 971 C LYS A 63 -5.274 5.026 2.066 1.00 0.00 C ATOM 972 O LYS A 63 -5.810 4.044 2.592 1.00 0.00 O ATOM 973 CB LYS A 63 -7.142 5.882 0.644 1.00 0.00 C ATOM 974 CG LYS A 63 -7.482 6.826 -0.498 1.00 0.00 C ATOM 975 CD LYS A 63 -8.959 6.787 -0.845 1.00 0.00 C ATOM 976 CE LYS A 63 -9.355 5.451 -1.454 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.803 5.398 -1.784 1.00 0.00 N ATOM 0 H LYS A 63 -5.970 3.605 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.071 6.361 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.751 4.982 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.406 6.356 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.200 7.843 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.896 6.558 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.549 6.968 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.190 7.590 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.771 5.277 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.112 4.649 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.031 4.471 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.362 5.539 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.031 6.147 -2.468 1.00 0.00 H new ATOM 991 N VAL A 64 -4.316 5.728 2.639 1.00 0.00 N ATOM 992 CA VAL A 64 -3.802 5.412 3.964 1.00 0.00 C ATOM 993 C VAL A 64 -4.736 5.951 5.041 1.00 0.00 C ATOM 994 O VAL A 64 -5.370 6.992 4.855 1.00 0.00 O ATOM 995 CB VAL A 64 -2.393 6.011 4.169 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.760 5.515 5.462 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.505 5.697 2.978 1.00 0.00 C ATOM 0 H VAL A 64 -3.870 6.534 2.202 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.741 4.327 4.044 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.497 7.093 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.770 5.956 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.384 5.804 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.672 4.429 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.516 6.126 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.418 4.616 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.943 6.123 2.075 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.822 5.238 6.156 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.633 5.668 7.284 1.00 0.00 C ATOM 1009 C VAL A 65 -4.737 6.053 8.468 1.00 0.00 C ATOM 1010 O VAL A 65 -4.425 5.218 9.320 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.631 4.572 7.718 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.511 5.058 8.862 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.482 4.129 6.535 1.00 0.00 C ATOM 0 H VAL A 65 -4.336 4.353 6.302 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.205 6.539 6.964 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.061 3.714 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.205 4.268 9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.886 5.320 9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.073 5.935 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.180 3.356 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.039 4.982 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.837 3.731 5.752 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.269 7.311 8.508 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.422 7.809 9.580 1.00 0.00 C ATOM 1025 C PRO A 66 -4.241 8.308 10.765 1.00 0.00 C ATOM 1026 O PRO A 66 -5.190 9.079 10.602 1.00 0.00 O ATOM 1027 CB PRO A 66 -2.658 8.974 8.931 1.00 0.00 C ATOM 1028 CG PRO A 66 -3.245 9.156 7.560 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.518 8.357 7.519 1.00 0.00 C ATOM 0 HA PRO A 66 -2.771 7.032 9.980 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.763 9.884 9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.592 8.754 8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.444 10.209 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.550 8.813 6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.386 8.963 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.705 7.942 6.528 1.00 0.00 H new ATOM 1037 N LEU A 67 -3.872 7.872 11.956 1.00 0.00 N ATOM 1038 CA LEU A 67 -4.565 8.286 13.163 1.00 0.00 C ATOM 1039 C LEU A 67 -3.993 9.598 13.680 1.00 0.00 C ATOM 1040 O LEU A 67 -3.281 9.645 14.684 1.00 0.00 O ATOM 1041 CB LEU A 67 -4.532 7.198 14.250 1.00 0.00 C ATOM 1042 CG LEU A 67 -3.149 6.710 14.702 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -3.253 6.044 16.067 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -2.560 5.733 13.694 1.00 0.00 C ATOM 0 H LEU A 67 -3.095 7.230 12.114 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.613 8.442 12.905 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.061 7.576 15.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.093 6.337 13.886 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.488 7.574 14.770 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.267 5.701 16.380 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.635 6.761 16.794 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.931 5.193 16.006 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.580 5.402 14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.220 4.871 13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.458 6.225 12.727 1.00 0.00 H new ATOM 1056 N GLU A 68 -4.271 10.652 12.945 1.00 0.00 N ATOM 1057 CA GLU A 68 -3.903 11.994 13.357 1.00 0.00 C ATOM 1058 C GLU A 68 -5.128 12.896 13.320 1.00 0.00 C ATOM 1059 O GLU A 68 -5.896 12.877 12.356 1.00 0.00 O ATOM 1060 CB GLU A 68 -2.795 12.562 12.466 1.00 0.00 C ATOM 1061 CG GLU A 68 -2.338 13.948 12.893 1.00 0.00 C ATOM 1062 CD GLU A 68 -1.189 14.478 12.063 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -0.021 14.187 12.401 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -1.446 15.204 11.081 1.00 0.00 O ATOM 0 H GLU A 68 -4.756 10.607 12.049 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.519 11.949 14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.942 11.884 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.151 12.604 11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.178 14.639 12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.038 13.918 13.940 1.00 0.00 H new ATOM 1071 N HIS A 69 -5.308 13.674 14.374 1.00 0.00 N ATOM 1072 CA HIS A 69 -6.475 14.533 14.501 1.00 0.00 C ATOM 1073 C HIS A 69 -6.161 15.949 14.046 1.00 0.00 C ATOM 1074 O HIS A 69 -5.213 16.570 14.526 1.00 0.00 O ATOM 1075 CB HIS A 69 -6.976 14.557 15.948 1.00 0.00 C ATOM 1076 CG HIS A 69 -7.603 13.271 16.393 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -8.942 13.158 16.697 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -7.071 12.042 16.592 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -9.206 11.918 17.063 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -8.089 11.220 17.008 1.00 0.00 N ATOM 0 H HIS A 69 -4.658 13.729 15.158 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.257 14.124 13.861 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.140 14.790 16.608 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.703 15.362 16.057 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.038 11.761 16.450 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.173 11.539 17.358 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.996 10.230 17.237 1.00 0.00 H new ATOM 1089 N HIS A 70 -6.956 16.453 13.114 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.814 17.827 12.651 1.00 0.00 C ATOM 1091 C HIS A 70 -7.484 18.777 13.645 1.00 0.00 C ATOM 1092 O HIS A 70 -8.539 19.355 13.375 1.00 0.00 O ATOM 1093 CB HIS A 70 -7.408 17.984 11.239 1.00 0.00 C ATOM 1094 CG HIS A 70 -7.272 19.359 10.648 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.267 19.959 9.904 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -6.252 20.248 10.689 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -7.865 21.155 9.515 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -6.645 21.357 9.978 1.00 0.00 N ATOM 0 H HIS A 70 -7.707 15.931 12.663 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.755 18.080 12.593 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.923 17.269 10.575 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.465 17.721 11.274 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.304 20.111 11.188 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.437 21.850 8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.086 22.198 9.832 1.00 0.00 H new ATOM 1107 N HIS A 71 -6.866 18.902 14.809 1.00 0.00 N ATOM 1108 CA HIS A 71 -7.384 19.741 15.875 1.00 0.00 C ATOM 1109 C HIS A 71 -6.230 20.482 16.537 1.00 0.00 C ATOM 1110 O HIS A 71 -5.214 19.873 16.882 1.00 0.00 O ATOM 1111 CB HIS A 71 -8.130 18.884 16.908 1.00 0.00 C ATOM 1112 CG HIS A 71 -8.961 19.670 17.883 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -10.336 19.604 17.917 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -8.606 20.520 18.876 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -10.791 20.379 18.881 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -9.762 20.946 19.479 1.00 0.00 N ATOM 0 H HIS A 71 -5.994 18.426 15.040 1.00 0.00 H new ATOM 0 HA HIS A 71 -8.085 20.465 15.459 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.777 18.182 16.381 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -7.403 18.292 17.464 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.600 20.809 19.143 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.830 20.525 19.137 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.817 21.596 20.263 1.00 0.00 H new ATOM 1125 N HIS A 72 -6.391 21.790 16.696 1.00 0.00 N ATOM 1126 CA HIS A 72 -5.355 22.640 17.278 1.00 0.00 C ATOM 1127 C HIS A 72 -4.897 22.153 18.648 1.00 0.00 C ATOM 1128 O HIS A 72 -5.707 21.900 19.543 1.00 0.00 O ATOM 1129 CB HIS A 72 -5.844 24.084 17.410 1.00 0.00 C ATOM 1130 CG HIS A 72 -5.358 24.989 16.322 1.00 0.00 C ATOM 1131 ND1 HIS A 72 -4.411 25.971 16.526 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -5.699 25.066 15.016 1.00 0.00 C ATOM 1133 CE1 HIS A 72 -4.195 26.609 15.395 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -4.962 26.080 14.462 1.00 0.00 N ATOM 0 H HIS A 72 -7.238 22.291 16.427 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.507 22.591 16.595 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.934 24.089 17.414 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.519 24.481 18.372 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -3.950 26.171 17.414 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.419 24.444 14.504 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.505 27.428 15.255 1.00 0.00 H new ATOM 1143 N HIS A 73 -3.592 22.005 18.782 1.00 0.00 N ATOM 1144 CA HIS A 73 -2.966 21.821 20.082 1.00 0.00 C ATOM 1145 C HIS A 73 -2.236 23.094 20.456 1.00 0.00 C ATOM 1146 O HIS A 73 -1.848 23.294 21.604 1.00 0.00 O ATOM 1147 CB HIS A 73 -1.997 20.637 20.076 1.00 0.00 C ATOM 1148 CG HIS A 73 -2.673 19.309 20.195 1.00 0.00 C ATOM 1149 ND1 HIS A 73 -2.122 18.138 19.733 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -3.858 18.970 20.752 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -2.937 17.139 19.997 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -4.000 17.612 20.616 1.00 0.00 N ATOM 0 H HIS A 73 -2.938 22.009 17.999 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.740 21.603 20.817 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.416 20.658 19.154 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.292 20.751 20.899 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.562 19.644 21.218 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.763 16.103 19.748 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.795 17.061 20.940 1.00 0.00 H new ATOM 1161 N HIS A 74 -2.063 23.956 19.466 1.00 0.00 N ATOM 1162 CA HIS A 74 -1.424 25.240 19.671 1.00 0.00 C ATOM 1163 C HIS A 74 -1.855 26.200 18.569 1.00 0.00 C ATOM 1164 O HIS A 74 -1.094 26.375 17.598 1.00 0.00 O ATOM 1165 CB HIS A 74 0.101 25.082 19.680 1.00 0.00 C ATOM 1166 CG HIS A 74 0.826 26.297 20.176 1.00 0.00 C ATOM 1167 ND1 HIS A 74 1.208 26.454 21.491 1.00 0.00 N ATOM 1168 CD2 HIS A 74 1.236 27.417 19.530 1.00 0.00 C ATOM 1169 CE1 HIS A 74 1.819 27.616 21.634 1.00 0.00 C ATOM 1170 NE2 HIS A 74 1.849 28.218 20.461 1.00 0.00 N ATOM 1171 OXT HIS A 74 -2.972 26.744 18.661 1.00 0.00 O ATOM 0 H HIS A 74 -2.360 23.784 18.506 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.728 25.644 20.637 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.366 24.230 20.306 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.440 24.853 18.670 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.105 27.637 18.481 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.225 28.007 22.555 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.262 29.132 20.275 1.00 0.00 H new TER 1180 HIS A 74