USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 5:sc= 0.569 USER MOD Set 1.2: A 130 MET CE :methyl 138:sc= -1.91! (180deg=-5.49!) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 1.09 USER MOD Set 2.2: A 86 LYS NZ :NH3+ -170:sc= 2.38 (180deg=0.969) USER MOD Set 3.1: A 58 GLN : amide:sc= 0.0264 K(o=1.2,f=-9.9!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 151:sc= 1.21 (180deg=-0.0586) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0.382 USER MOD Set 4.2: A 40 ASN : amide:sc= -0.837 K(o=-0.45,f=-1.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 160:sc= -0.502 USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.06) USER MOD Single : A 20 SER OG : rot -80:sc= -0.163 USER MOD Single : A 21 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-6!) USER MOD Single : A 29 THR OG1 : rot 135:sc= 0.0808 USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= 0.916 (180deg=-0.91!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 138:sc= 0.0538 USER MOD Single : A 51 LYS NZ :NH3+ -108:sc= 2.06 (180deg=0.106!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -10:sc= 0.273 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 60 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.15) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.682 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.272 K(o=0.27,f=-5.3!) USER MOD Single : A 77 LYS NZ :NH3+ -114:sc= -0.166 (180deg=-2.19!) USER MOD Single : A 80 ASN : amide:sc= -1.38 K(o=-1.4,f=-3!) USER MOD Single : A 84 HIS : no HE2:sc= 0.223 K(o=0.22,f=-0.79) USER MOD Single : A 85 THR OG1 : rot 56:sc= 0.0627 USER MOD Single : A 90 THR OG1 : rot -2:sc= 1.26 USER MOD Single : A 91 ASN : amide:sc= -0.869 X(o=-0.87,f=-0.63) USER MOD Single : A 92 SER OG : rot -72:sc= 0.776 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-3.1!) USER MOD Single : A 100 SER OG : rot -97:sc= 0.148 USER MOD Single : A 105 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.8) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 59:sc= 0.415 USER MOD Single : A 110 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 112 MET CE :methyl -143:sc= -2.84! (180deg=-4.02!) USER MOD Single : A 114 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.043) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 40:sc= -0.147 USER MOD Single : A 118 THR OG1 : rot -14:sc= 0.137 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -80:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -18.731 -7.576 -5.132 1.00 0.00 N ATOM 32 CA VAL A 3 -18.978 -8.139 -3.809 1.00 0.00 C ATOM 33 C VAL A 3 -20.462 -8.085 -3.433 1.00 0.00 C ATOM 34 O VAL A 3 -21.211 -7.229 -3.914 1.00 0.00 O ATOM 35 CB VAL A 3 -18.151 -7.389 -2.734 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.580 -5.928 -2.642 1.00 0.00 C ATOM 37 CG2 VAL A 3 -18.258 -8.077 -1.376 1.00 0.00 C ATOM 0 HA VAL A 3 -18.671 -9.184 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.104 -7.416 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.986 -5.422 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.426 -5.442 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.635 -5.875 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.667 -7.528 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.301 -8.098 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.882 -9.097 -1.454 1.00 0.00 H new ATOM 47 N SER A 4 -20.876 -9.016 -2.578 1.00 0.00 N ATOM 48 CA SER A 4 -22.217 -9.019 -2.006 1.00 0.00 C ATOM 49 C SER A 4 -22.188 -8.334 -0.633 1.00 0.00 C ATOM 50 O SER A 4 -21.173 -8.398 0.066 1.00 0.00 O ATOM 51 CB SER A 4 -22.723 -10.462 -1.889 1.00 0.00 C ATOM 52 OG SER A 4 -22.678 -11.111 -3.150 1.00 0.00 O ATOM 0 H SER A 4 -20.290 -9.789 -2.263 1.00 0.00 H new ATOM 0 HA SER A 4 -22.899 -8.468 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.113 -11.010 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.744 -10.465 -1.509 1.00 0.00 H new ATOM 0 HG SER A 4 -23.003 -12.031 -3.056 1.00 0.00 H new ATOM 58 N PRO A 5 -23.299 -7.676 -0.227 1.00 0.00 N ATOM 59 CA PRO A 5 -23.360 -6.854 0.995 1.00 0.00 C ATOM 60 C PRO A 5 -22.699 -7.508 2.214 1.00 0.00 C ATOM 61 O PRO A 5 -21.921 -6.865 2.922 1.00 0.00 O ATOM 62 CB PRO A 5 -24.874 -6.660 1.234 1.00 0.00 C ATOM 63 CG PRO A 5 -25.565 -7.511 0.211 1.00 0.00 C ATOM 64 CD PRO A 5 -24.594 -7.673 -0.922 1.00 0.00 C ATOM 0 HA PRO A 5 -22.809 -5.922 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.151 -6.961 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -25.155 -5.613 1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.839 -8.479 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.486 -7.039 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.762 -8.599 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.668 -6.857 -1.641 1.00 0.00 H new ATOM 72 N GLU A 6 -22.998 -8.783 2.443 1.00 0.00 N ATOM 73 CA GLU A 6 -22.501 -9.487 3.625 1.00 0.00 C ATOM 74 C GLU A 6 -20.969 -9.548 3.630 1.00 0.00 C ATOM 75 O GLU A 6 -20.332 -9.237 4.634 1.00 0.00 O ATOM 76 CB GLU A 6 -23.098 -10.898 3.703 1.00 0.00 C ATOM 77 CG GLU A 6 -22.799 -11.615 5.015 1.00 0.00 C ATOM 78 CD GLU A 6 -23.474 -12.972 5.111 1.00 0.00 C ATOM 79 OE1 GLU A 6 -24.684 -13.019 5.423 1.00 0.00 O ATOM 80 OE2 GLU A 6 -22.802 -13.996 4.880 1.00 0.00 O ATOM 0 H GLU A 6 -23.581 -9.351 1.828 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.817 -8.928 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.178 -10.834 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.711 -11.494 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.721 -11.742 5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.126 -10.992 5.847 1.00 0.00 H new ATOM 87 N GLU A 7 -20.379 -9.931 2.501 1.00 0.00 N ATOM 88 CA GLU A 7 -18.922 -9.987 2.385 1.00 0.00 C ATOM 89 C GLU A 7 -18.334 -8.580 2.523 1.00 0.00 C ATOM 90 O GLU A 7 -17.266 -8.391 3.107 1.00 0.00 O ATOM 91 CB GLU A 7 -18.517 -10.613 1.042 1.00 0.00 C ATOM 92 CG GLU A 7 -17.008 -10.661 0.797 1.00 0.00 C ATOM 93 CD GLU A 7 -16.273 -11.638 1.707 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.851 -11.239 2.810 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.091 -12.807 1.306 1.00 0.00 O ATOM 0 H GLU A 7 -20.882 -10.206 1.657 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.526 -10.612 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.913 -11.627 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.986 -10.049 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.826 -10.937 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.593 -9.663 0.939 1.00 0.00 H new ATOM 102 N ALA A 8 -19.064 -7.592 2.012 1.00 0.00 N ATOM 103 CA ALA A 8 -18.625 -6.201 2.063 1.00 0.00 C ATOM 104 C ALA A 8 -18.496 -5.713 3.508 1.00 0.00 C ATOM 105 O ALA A 8 -17.570 -4.969 3.838 1.00 0.00 O ATOM 106 CB ALA A 8 -19.582 -5.312 1.273 1.00 0.00 C ATOM 0 H ALA A 8 -19.966 -7.730 1.556 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.638 -6.140 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.241 -4.278 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.607 -5.638 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.582 -5.384 1.700 1.00 0.00 H new ATOM 112 N VAL A 9 -19.418 -6.136 4.376 1.00 0.00 N ATOM 113 CA VAL A 9 -19.374 -5.725 5.779 1.00 0.00 C ATOM 114 C VAL A 9 -18.273 -6.475 6.525 1.00 0.00 C ATOM 115 O VAL A 9 -17.742 -5.977 7.522 1.00 0.00 O ATOM 116 CB VAL A 9 -20.731 -5.915 6.515 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.864 -5.248 5.743 1.00 0.00 C ATOM 118 CG2 VAL A 9 -21.039 -7.389 6.772 1.00 0.00 C ATOM 0 H VAL A 9 -20.193 -6.754 4.136 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.157 -4.657 5.776 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.644 -5.429 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.803 -5.394 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.662 -4.181 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.938 -5.692 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -21.995 -7.476 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.089 -7.921 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -20.253 -7.823 7.390 1.00 0.00 H new ATOM 128 N LYS A 10 -17.925 -7.669 6.032 1.00 0.00 N ATOM 129 CA LYS A 10 -16.835 -8.456 6.618 1.00 0.00 C ATOM 130 C LYS A 10 -15.525 -7.680 6.545 1.00 0.00 C ATOM 131 O LYS A 10 -14.689 -7.764 7.441 1.00 0.00 O ATOM 132 CB LYS A 10 -16.670 -9.805 5.899 1.00 0.00 C ATOM 133 CG LYS A 10 -17.918 -10.680 5.911 1.00 0.00 C ATOM 134 CD LYS A 10 -18.403 -10.976 7.326 1.00 0.00 C ATOM 135 CE LYS A 10 -19.641 -11.862 7.319 1.00 0.00 C ATOM 136 NZ LYS A 10 -20.146 -12.125 8.690 1.00 0.00 N ATOM 0 H LYS A 10 -18.380 -8.110 5.232 1.00 0.00 H new ATOM 0 HA LYS A 10 -17.090 -8.648 7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.381 -9.619 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.851 -10.354 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -18.712 -10.184 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.706 -11.618 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.608 -11.465 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.627 -10.040 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.424 -11.385 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.407 -12.808 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.989 -12.732 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.408 -12.603 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.395 -11.225 9.147 1.00 0.00 H new ATOM 150 N TRP A 11 -15.366 -6.908 5.473 1.00 0.00 N ATOM 151 CA TRP A 11 -14.166 -6.098 5.275 1.00 0.00 C ATOM 152 C TRP A 11 -14.015 -5.071 6.393 1.00 0.00 C ATOM 153 O TRP A 11 -12.914 -4.590 6.664 1.00 0.00 O ATOM 154 CB TRP A 11 -14.225 -5.380 3.923 1.00 0.00 C ATOM 155 CG TRP A 11 -14.356 -6.304 2.747 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.142 -7.654 2.727 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.723 -5.938 1.413 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.356 -8.146 1.467 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.711 -7.115 0.642 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.059 -4.730 0.795 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -15.023 -7.117 -0.712 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.370 -4.735 -0.550 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.349 -5.922 -1.291 1.00 0.00 C ATOM 0 H TRP A 11 -16.055 -6.826 4.726 1.00 0.00 H new ATOM 0 HA TRP A 11 -13.303 -6.764 5.291 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.069 -4.690 3.926 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.323 -4.780 3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.847 -8.246 3.581 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.265 -9.123 1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.075 -3.809 1.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -15.009 -8.031 -1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.634 -3.808 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.595 -5.894 -2.342 1.00 0.00 H new ATOM 174 N GLY A 12 -15.131 -4.754 7.044 1.00 0.00 N ATOM 175 CA GLY A 12 -15.136 -3.760 8.103 1.00 0.00 C ATOM 176 C GLY A 12 -14.311 -4.172 9.310 1.00 0.00 C ATOM 177 O GLY A 12 -14.028 -3.347 10.182 1.00 0.00 O ATOM 0 H GLY A 12 -16.041 -5.173 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.751 -2.818 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.164 -3.578 8.418 1.00 0.00 H new ATOM 181 N GLU A 13 -13.926 -5.446 9.374 1.00 0.00 N ATOM 182 CA GLU A 13 -13.125 -5.944 10.491 1.00 0.00 C ATOM 183 C GLU A 13 -11.652 -5.579 10.306 1.00 0.00 C ATOM 184 O GLU A 13 -10.898 -5.521 11.279 1.00 0.00 O ATOM 185 CB GLU A 13 -13.263 -7.465 10.635 1.00 0.00 C ATOM 186 CG GLU A 13 -12.571 -8.258 9.533 1.00 0.00 C ATOM 187 CD GLU A 13 -12.633 -9.755 9.766 1.00 0.00 C ATOM 188 OE1 GLU A 13 -13.624 -10.387 9.348 1.00 0.00 O ATOM 189 OE2 GLU A 13 -11.690 -10.308 10.370 1.00 0.00 O ATOM 0 H GLU A 13 -14.154 -6.148 8.670 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.499 -5.471 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.852 -7.767 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.322 -7.724 10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.035 -8.023 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.528 -7.947 9.466 1.00 0.00 H new ATOM 196 N SER A 14 -11.243 -5.340 9.059 1.00 0.00 N ATOM 197 CA SER A 14 -9.846 -5.042 8.767 1.00 0.00 C ATOM 198 C SER A 14 -9.655 -4.590 7.321 1.00 0.00 C ATOM 199 O SER A 14 -10.139 -5.228 6.377 1.00 0.00 O ATOM 200 CB SER A 14 -8.969 -6.272 9.044 1.00 0.00 C ATOM 201 OG SER A 14 -7.594 -5.973 8.867 1.00 0.00 O ATOM 0 H SER A 14 -11.856 -5.347 8.243 1.00 0.00 H new ATOM 0 HA SER A 14 -9.544 -4.224 9.420 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.140 -6.621 10.062 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.256 -7.084 8.376 1.00 0.00 H new ATOM 0 HG SER A 14 -7.051 -6.637 9.342 1.00 0.00 H new ATOM 207 N PHE A 15 -8.923 -3.491 7.162 1.00 0.00 N ATOM 208 CA PHE A 15 -8.540 -2.986 5.850 1.00 0.00 C ATOM 209 C PHE A 15 -7.697 -4.028 5.119 1.00 0.00 C ATOM 210 O PHE A 15 -7.710 -4.103 3.890 1.00 0.00 O ATOM 211 CB PHE A 15 -7.765 -1.668 6.008 1.00 0.00 C ATOM 212 CG PHE A 15 -7.242 -1.084 4.716 1.00 0.00 C ATOM 213 CD1 PHE A 15 -8.086 -0.880 3.634 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.907 -0.734 4.587 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.608 -0.343 2.454 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.424 -0.196 3.411 1.00 0.00 C ATOM 217 CZ PHE A 15 -6.275 0.001 2.343 1.00 0.00 C ATOM 0 H PHE A 15 -8.580 -2.927 7.939 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.435 -2.792 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.415 -0.935 6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.925 -1.835 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.130 -1.144 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.235 -0.884 5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.276 -0.192 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.381 0.070 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.900 0.423 1.422 1.00 0.00 H new ATOM 227 N ASP A 16 -6.979 -4.837 5.896 1.00 0.00 N ATOM 228 CA ASP A 16 -6.195 -5.947 5.356 1.00 0.00 C ATOM 229 C ASP A 16 -7.082 -6.878 4.534 1.00 0.00 C ATOM 230 O ASP A 16 -6.712 -7.306 3.440 1.00 0.00 O ATOM 231 CB ASP A 16 -5.532 -6.732 6.496 1.00 0.00 C ATOM 232 CG ASP A 16 -4.821 -7.989 6.014 1.00 0.00 C ATOM 233 OD1 ASP A 16 -3.637 -7.896 5.621 1.00 0.00 O ATOM 234 OD2 ASP A 16 -5.442 -9.074 6.030 1.00 0.00 O ATOM 0 H ASP A 16 -6.924 -4.743 6.910 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.420 -5.537 4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.815 -6.088 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.290 -7.008 7.229 1.00 0.00 H new ATOM 239 N LYS A 17 -8.266 -7.177 5.064 1.00 0.00 N ATOM 240 CA LYS A 17 -9.211 -8.052 4.380 1.00 0.00 C ATOM 241 C LYS A 17 -9.728 -7.388 3.106 1.00 0.00 C ATOM 242 O LYS A 17 -9.863 -8.038 2.067 1.00 0.00 O ATOM 243 CB LYS A 17 -10.373 -8.435 5.307 1.00 0.00 C ATOM 244 CG LYS A 17 -11.482 -9.207 4.599 1.00 0.00 C ATOM 245 CD LYS A 17 -12.451 -9.867 5.577 1.00 0.00 C ATOM 246 CE LYS A 17 -11.779 -10.977 6.381 1.00 0.00 C ATOM 247 NZ LYS A 17 -12.762 -11.758 7.177 1.00 0.00 N ATOM 0 H LYS A 17 -8.592 -6.826 5.964 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.689 -8.968 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.989 -9.038 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.793 -7.529 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.034 -8.529 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.038 -9.971 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.848 -9.115 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.298 -10.278 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.248 -11.645 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.035 -10.542 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.264 -12.491 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.263 -11.122 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.447 -12.208 6.537 1.00 0.00 H new ATOM 261 N LEU A 18 -9.997 -6.087 3.188 1.00 0.00 N ATOM 262 CA LEU A 18 -10.406 -5.311 2.016 1.00 0.00 C ATOM 263 C LEU A 18 -9.326 -5.373 0.935 1.00 0.00 C ATOM 264 O LEU A 18 -9.621 -5.513 -0.254 1.00 0.00 O ATOM 265 CB LEU A 18 -10.677 -3.847 2.411 1.00 0.00 C ATOM 266 CG LEU A 18 -10.906 -2.868 1.241 1.00 0.00 C ATOM 267 CD1 LEU A 18 -12.087 -3.307 0.382 1.00 0.00 C ATOM 268 CD2 LEU A 18 -11.121 -1.448 1.758 1.00 0.00 C ATOM 0 H LEU A 18 -9.940 -5.547 4.052 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.325 -5.742 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.553 -3.821 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.834 -3.488 3.001 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.011 -2.877 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.226 -2.599 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.891 -4.299 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.989 -3.338 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.280 -0.774 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.994 -1.427 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.242 -1.128 2.318 1.00 0.00 H new ATOM 280 N LEU A 19 -8.075 -5.292 1.370 1.00 0.00 N ATOM 281 CA LEU A 19 -6.932 -5.259 0.464 1.00 0.00 C ATOM 282 C LEU A 19 -6.667 -6.638 -0.150 1.00 0.00 C ATOM 283 O LEU A 19 -6.290 -6.746 -1.317 1.00 0.00 O ATOM 284 CB LEU A 19 -5.690 -4.767 1.223 1.00 0.00 C ATOM 285 CG LEU A 19 -4.441 -4.520 0.363 1.00 0.00 C ATOM 286 CD1 LEU A 19 -4.696 -3.414 -0.659 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.242 -4.178 1.248 1.00 0.00 C ATOM 0 H LEU A 19 -7.824 -5.247 2.358 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.158 -4.572 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.944 -3.840 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.441 -5.500 1.991 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.213 -5.435 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.798 -3.257 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.520 -3.704 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.953 -2.491 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.366 -4.006 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.459 -3.278 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.045 -5.006 1.929 1.00 0.00 H new ATOM 299 N SER A 20 -6.870 -7.690 0.642 1.00 0.00 N ATOM 300 CA SER A 20 -6.592 -9.055 0.197 1.00 0.00 C ATOM 301 C SER A 20 -7.718 -9.600 -0.685 1.00 0.00 C ATOM 302 O SER A 20 -7.504 -10.519 -1.482 1.00 0.00 O ATOM 303 CB SER A 20 -6.358 -9.969 1.407 1.00 0.00 C ATOM 304 OG SER A 20 -7.406 -9.852 2.357 1.00 0.00 O ATOM 0 H SER A 20 -7.226 -7.623 1.595 1.00 0.00 H new ATOM 0 HA SER A 20 -5.686 -9.034 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.282 -11.004 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.408 -9.715 1.878 1.00 0.00 H new ATOM 0 HG SER A 20 -7.264 -9.051 2.904 1.00 0.00 H new ATOM 310 N HIS A 21 -8.918 -9.041 -0.543 1.00 0.00 N ATOM 311 CA HIS A 21 -10.048 -9.442 -1.376 1.00 0.00 C ATOM 312 C HIS A 21 -9.851 -8.848 -2.768 1.00 0.00 C ATOM 313 O HIS A 21 -9.875 -7.635 -2.924 1.00 0.00 O ATOM 314 CB HIS A 21 -11.377 -8.967 -0.751 1.00 0.00 C ATOM 315 CG HIS A 21 -12.453 -10.019 -0.723 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.514 -10.045 -1.600 1.00 0.00 N ATOM 317 CD2 HIS A 21 -12.632 -11.081 0.104 1.00 0.00 C ATOM 318 CE1 HIS A 21 -14.295 -11.068 -1.319 1.00 0.00 C ATOM 319 NE2 HIS A 21 -13.786 -11.716 -0.288 1.00 0.00 N ATOM 0 H HIS A 21 -9.132 -8.312 0.138 1.00 0.00 H new ATOM 0 HA HIS A 21 -10.095 -10.529 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.187 -8.630 0.268 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.741 -8.105 -1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.987 -11.373 0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.201 -11.332 -1.845 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -14.183 -12.549 0.146 1.00 0.00 H new ATOM 328 N ARG A 22 -9.656 -9.702 -3.773 1.00 0.00 N ATOM 329 CA ARG A 22 -9.257 -9.240 -5.112 1.00 0.00 C ATOM 330 C ARG A 22 -10.253 -8.215 -5.663 1.00 0.00 C ATOM 331 O ARG A 22 -9.861 -7.204 -6.254 1.00 0.00 O ATOM 332 CB ARG A 22 -9.112 -10.418 -6.096 1.00 0.00 C ATOM 333 CG ARG A 22 -7.972 -11.396 -5.778 1.00 0.00 C ATOM 334 CD ARG A 22 -8.323 -12.373 -4.657 1.00 0.00 C ATOM 335 NE ARG A 22 -7.245 -13.336 -4.403 1.00 0.00 N ATOM 336 CZ ARG A 22 -7.355 -14.658 -4.572 1.00 0.00 C ATOM 337 NH1 ARG A 22 -8.475 -15.192 -5.041 1.00 0.00 N ATOM 338 NH2 ARG A 22 -6.330 -15.447 -4.284 1.00 0.00 N ATOM 0 H ARG A 22 -9.766 -10.713 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.284 -8.759 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.050 -10.972 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.957 -10.017 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.720 -11.958 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.083 -10.831 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.533 -11.816 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.234 -12.911 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.350 -12.972 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.266 -14.593 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.546 -16.202 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.460 -15.046 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.411 -16.456 -4.412 1.00 0.00 H new ATOM 352 N ASP A 23 -11.540 -8.485 -5.468 1.00 0.00 N ATOM 353 CA ASP A 23 -12.604 -7.559 -5.870 1.00 0.00 C ATOM 354 C ASP A 23 -12.604 -6.315 -4.978 1.00 0.00 C ATOM 355 O ASP A 23 -12.914 -5.211 -5.433 1.00 0.00 O ATOM 356 CB ASP A 23 -13.971 -8.256 -5.810 1.00 0.00 C ATOM 357 CG ASP A 23 -14.192 -8.965 -4.489 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.672 -10.085 -4.325 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.849 -8.399 -3.597 1.00 0.00 O ATOM 0 H ASP A 23 -11.877 -9.343 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.415 -7.247 -6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.760 -7.519 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.046 -8.976 -6.625 1.00 0.00 H new ATOM 364 N GLY A 24 -12.238 -6.505 -3.711 1.00 0.00 N ATOM 365 CA GLY A 24 -12.150 -5.393 -2.776 1.00 0.00 C ATOM 366 C GLY A 24 -11.068 -4.414 -3.182 1.00 0.00 C ATOM 367 O GLY A 24 -11.320 -3.218 -3.340 1.00 0.00 O ATOM 0 H GLY A 24 -12.000 -7.414 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.110 -4.878 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.943 -5.772 -1.775 1.00 0.00 H new ATOM 371 N LEU A 25 -9.863 -4.941 -3.363 1.00 0.00 N ATOM 372 CA LEU A 25 -8.728 -4.177 -3.861 1.00 0.00 C ATOM 373 C LEU A 25 -9.081 -3.507 -5.188 1.00 0.00 C ATOM 374 O LEU A 25 -8.718 -2.354 -5.424 1.00 0.00 O ATOM 375 CB LEU A 25 -7.508 -5.114 -4.002 1.00 0.00 C ATOM 376 CG LEU A 25 -6.262 -4.533 -4.710 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.983 -5.149 -4.142 1.00 0.00 C ATOM 378 CD2 LEU A 25 -6.329 -4.779 -6.220 1.00 0.00 C ATOM 0 H LEU A 25 -9.645 -5.918 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.476 -3.386 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.212 -5.439 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.824 -6.004 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.247 -3.458 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.118 -4.727 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.916 -4.931 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.002 -6.229 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.442 -4.362 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.374 -5.851 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.219 -4.300 -6.628 1.00 0.00 H new ATOM 390 N GLU A 26 -9.807 -4.229 -6.044 1.00 0.00 N ATOM 391 CA GLU A 26 -10.253 -3.688 -7.327 1.00 0.00 C ATOM 392 C GLU A 26 -11.151 -2.470 -7.106 1.00 0.00 C ATOM 393 O GLU A 26 -11.027 -1.457 -7.793 1.00 0.00 O ATOM 394 CB GLU A 26 -10.998 -4.758 -8.138 1.00 0.00 C ATOM 395 CG GLU A 26 -11.423 -4.295 -9.531 1.00 0.00 C ATOM 396 CD GLU A 26 -12.160 -5.371 -10.313 1.00 0.00 C ATOM 397 OE1 GLU A 26 -11.495 -6.292 -10.838 1.00 0.00 O ATOM 398 OE2 GLU A 26 -13.404 -5.304 -10.403 1.00 0.00 O ATOM 0 H GLU A 26 -10.098 -5.191 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.374 -3.378 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.359 -5.635 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.883 -5.069 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.064 -3.418 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.540 -3.986 -10.091 1.00 0.00 H new ATOM 405 N ALA A 27 -12.051 -2.571 -6.136 1.00 0.00 N ATOM 406 CA ALA A 27 -12.941 -1.464 -5.799 1.00 0.00 C ATOM 407 C ALA A 27 -12.154 -0.318 -5.166 1.00 0.00 C ATOM 408 O ALA A 27 -12.418 0.859 -5.426 1.00 0.00 O ATOM 409 CB ALA A 27 -14.047 -1.938 -4.863 1.00 0.00 C ATOM 0 H ALA A 27 -12.185 -3.408 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.401 -1.097 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.702 -1.101 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.625 -2.722 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.605 -2.330 -3.947 1.00 0.00 H new ATOM 415 N PHE A 28 -11.157 -0.680 -4.364 1.00 0.00 N ATOM 416 CA PHE A 28 -10.378 0.294 -3.612 1.00 0.00 C ATOM 417 C PHE A 28 -9.492 1.112 -4.545 1.00 0.00 C ATOM 418 O PHE A 28 -9.402 2.328 -4.403 1.00 0.00 O ATOM 419 CB PHE A 28 -9.527 -0.397 -2.535 1.00 0.00 C ATOM 420 CG PHE A 28 -8.770 0.570 -1.657 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.438 1.340 -0.714 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.393 0.716 -1.779 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.750 2.233 0.087 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.703 1.607 -0.979 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.382 2.367 -0.046 1.00 0.00 C ATOM 0 H PHE A 28 -10.869 -1.648 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 28 -11.075 0.970 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.174 -1.013 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.818 -1.069 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.508 1.240 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.856 0.126 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.282 2.825 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.633 1.709 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.844 3.065 0.578 1.00 0.00 H new ATOM 435 N THR A 29 -8.847 0.451 -5.506 1.00 0.00 N ATOM 436 CA THR A 29 -8.000 1.155 -6.463 1.00 0.00 C ATOM 437 C THR A 29 -8.848 2.089 -7.322 1.00 0.00 C ATOM 438 O THR A 29 -8.492 3.248 -7.518 1.00 0.00 O ATOM 439 CB THR A 29 -7.176 0.193 -7.365 1.00 0.00 C ATOM 440 OG1 THR A 29 -6.396 0.950 -8.297 1.00 0.00 O ATOM 441 CG2 THR A 29 -8.067 -0.780 -8.129 1.00 0.00 C ATOM 0 H THR A 29 -8.895 -0.559 -5.640 1.00 0.00 H new ATOM 0 HA THR A 29 -7.281 1.735 -5.885 1.00 0.00 H new ATOM 0 HB THR A 29 -6.525 -0.389 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.485 0.590 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.449 -1.432 -8.746 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.637 -1.383 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.753 -0.222 -8.766 1.00 0.00 H new ATOM 449 N ARG A 30 -9.997 1.595 -7.785 1.00 0.00 N ATOM 450 CA ARG A 30 -10.911 2.397 -8.598 1.00 0.00 C ATOM 451 C ARG A 30 -11.337 3.659 -7.845 1.00 0.00 C ATOM 452 O ARG A 30 -11.652 4.683 -8.450 1.00 0.00 O ATOM 453 CB ARG A 30 -12.137 1.562 -9.011 1.00 0.00 C ATOM 454 CG ARG A 30 -11.803 0.448 -10.002 1.00 0.00 C ATOM 455 CD ARG A 30 -13.032 -0.371 -10.395 1.00 0.00 C ATOM 456 NE ARG A 30 -13.469 -1.265 -9.317 1.00 0.00 N ATOM 457 CZ ARG A 30 -14.540 -2.063 -9.388 1.00 0.00 C ATOM 458 NH1 ARG A 30 -15.322 -2.048 -10.463 1.00 0.00 N ATOM 459 NH2 ARG A 30 -14.832 -2.881 -8.384 1.00 0.00 N ATOM 0 H ARG A 30 -10.317 0.642 -7.610 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.389 2.706 -9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.586 1.124 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.884 2.221 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.359 0.883 -10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.055 -0.212 -9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.847 0.303 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.805 -0.960 -11.284 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.920 -1.279 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.107 -1.425 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.137 -2.660 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.239 -2.902 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.650 -3.488 -8.442 1.00 0.00 H new ATOM 473 N PHE A 31 -11.336 3.570 -6.518 1.00 0.00 N ATOM 474 CA PHE A 31 -11.615 4.719 -5.661 1.00 0.00 C ATOM 475 C PHE A 31 -10.351 5.565 -5.456 1.00 0.00 C ATOM 476 O PHE A 31 -10.398 6.792 -5.501 1.00 0.00 O ATOM 477 CB PHE A 31 -12.161 4.229 -4.307 1.00 0.00 C ATOM 478 CG PHE A 31 -12.334 5.317 -3.270 1.00 0.00 C ATOM 479 CD1 PHE A 31 -13.358 6.247 -3.380 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.469 5.407 -2.184 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.516 7.240 -2.433 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.624 6.399 -1.235 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.649 7.317 -1.360 1.00 0.00 C ATOM 0 H PHE A 31 -11.144 2.707 -6.009 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.364 5.347 -6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.124 3.745 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.486 3.470 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -14.040 6.194 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.666 4.692 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.318 7.957 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.945 6.457 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.772 8.094 -0.620 1.00 0.00 H new ATOM 493 N LEU A 32 -9.220 4.893 -5.263 1.00 0.00 N ATOM 494 CA LEU A 32 -7.973 5.553 -4.874 1.00 0.00 C ATOM 495 C LEU A 32 -7.314 6.270 -6.062 1.00 0.00 C ATOM 496 O LEU A 32 -6.502 7.185 -5.879 1.00 0.00 O ATOM 497 CB LEU A 32 -7.006 4.518 -4.276 1.00 0.00 C ATOM 498 CG LEU A 32 -5.828 5.097 -3.476 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.325 5.798 -2.213 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.819 4.007 -3.126 1.00 0.00 C ATOM 0 H LEU A 32 -9.139 3.882 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.210 6.309 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.572 3.852 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.607 3.908 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.325 5.835 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.475 6.200 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.997 6.611 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.858 5.083 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.995 4.442 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.306 3.239 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.434 3.560 -4.042 1.00 0.00 H new ATOM 512 N LYS A 33 -7.669 5.854 -7.276 1.00 0.00 N ATOM 513 CA LYS A 33 -7.098 6.435 -8.494 1.00 0.00 C ATOM 514 C LYS A 33 -7.423 7.927 -8.605 1.00 0.00 C ATOM 515 O LYS A 33 -6.636 8.702 -9.155 1.00 0.00 O ATOM 516 CB LYS A 33 -7.610 5.700 -9.744 1.00 0.00 C ATOM 517 CG LYS A 33 -7.066 4.280 -9.913 1.00 0.00 C ATOM 518 CD LYS A 33 -7.691 3.579 -11.121 1.00 0.00 C ATOM 519 CE LYS A 33 -7.263 2.117 -11.231 1.00 0.00 C ATOM 520 NZ LYS A 33 -5.806 1.968 -11.485 1.00 0.00 N ATOM 0 H LYS A 33 -8.351 5.115 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.016 6.319 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.698 5.656 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.347 6.284 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.983 4.316 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.268 3.702 -9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.777 3.632 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.407 4.107 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.523 1.595 -10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.820 1.638 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.660 1.482 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.362 2.908 -11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.376 1.410 -10.720 1.00 0.00 H new ATOM 534 N THR A 34 -8.572 8.328 -8.062 1.00 0.00 N ATOM 535 CA THR A 34 -9.037 9.708 -8.186 1.00 0.00 C ATOM 536 C THR A 34 -8.100 10.673 -7.453 1.00 0.00 C ATOM 537 O THR A 34 -7.938 11.823 -7.862 1.00 0.00 O ATOM 538 CB THR A 34 -10.490 9.876 -7.663 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.020 11.150 -8.066 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.556 9.764 -6.141 1.00 0.00 C ATOM 0 H THR A 34 -9.196 7.718 -7.534 1.00 0.00 H new ATOM 0 HA THR A 34 -9.030 9.951 -9.248 1.00 0.00 H new ATOM 0 HB THR A 34 -11.087 9.073 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.937 11.244 -7.732 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.588 9.887 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.190 8.785 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.937 10.541 -5.692 1.00 0.00 H new ATOM 548 N GLU A 35 -7.476 10.202 -6.374 1.00 0.00 N ATOM 549 CA GLU A 35 -6.549 11.030 -5.604 1.00 0.00 C ATOM 550 C GLU A 35 -5.100 10.668 -5.929 1.00 0.00 C ATOM 551 O GLU A 35 -4.167 11.150 -5.284 1.00 0.00 O ATOM 552 CB GLU A 35 -6.832 10.899 -4.100 1.00 0.00 C ATOM 553 CG GLU A 35 -6.740 9.477 -3.560 1.00 0.00 C ATOM 554 CD GLU A 35 -7.113 9.394 -2.086 1.00 0.00 C ATOM 555 OE1 GLU A 35 -6.234 9.641 -1.231 1.00 0.00 O ATOM 556 OE2 GLU A 35 -8.286 9.098 -1.783 1.00 0.00 O ATOM 0 H GLU A 35 -7.595 9.255 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.701 12.072 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.128 11.527 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.830 11.288 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.399 8.828 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.725 9.103 -3.697 1.00 0.00 H new ATOM 563 N PHE A 36 -4.931 9.815 -6.945 1.00 0.00 N ATOM 564 CA PHE A 36 -3.610 9.449 -7.472 1.00 0.00 C ATOM 565 C PHE A 36 -2.729 8.801 -6.403 1.00 0.00 C ATOM 566 O PHE A 36 -1.510 8.728 -6.555 1.00 0.00 O ATOM 567 CB PHE A 36 -2.904 10.686 -8.056 1.00 0.00 C ATOM 568 CG PHE A 36 -3.679 11.365 -9.160 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.669 10.854 -10.450 1.00 0.00 C ATOM 570 CD2 PHE A 36 -4.417 12.513 -8.906 1.00 0.00 C ATOM 571 CE1 PHE A 36 -4.378 11.474 -11.461 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.128 13.136 -9.914 1.00 0.00 C ATOM 573 CZ PHE A 36 -5.108 12.615 -11.192 1.00 0.00 C ATOM 0 H PHE A 36 -5.706 9.358 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.768 8.716 -8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.726 11.404 -7.255 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.928 10.389 -8.440 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.101 9.962 -10.666 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.436 12.925 -7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.361 11.067 -12.461 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.698 14.029 -9.702 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.663 13.100 -11.982 1.00 0.00 H new ATOM 583 N SER A 37 -3.350 8.291 -5.345 1.00 0.00 N ATOM 584 CA SER A 37 -2.612 7.696 -4.233 1.00 0.00 C ATOM 585 C SER A 37 -2.302 6.225 -4.526 1.00 0.00 C ATOM 586 O SER A 37 -1.684 5.529 -3.717 1.00 0.00 O ATOM 587 CB SER A 37 -3.423 7.842 -2.939 1.00 0.00 C ATOM 588 OG SER A 37 -2.714 7.358 -1.811 1.00 0.00 O ATOM 0 H SER A 37 -4.364 8.277 -5.233 1.00 0.00 H new ATOM 0 HA SER A 37 -1.664 8.219 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.676 8.891 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.363 7.299 -3.037 1.00 0.00 H new ATOM 0 HG SER A 37 -3.263 7.470 -1.007 1.00 0.00 H new ATOM 594 N GLU A 38 -2.719 5.761 -5.704 1.00 0.00 N ATOM 595 CA GLU A 38 -2.502 4.377 -6.116 1.00 0.00 C ATOM 596 C GLU A 38 -1.012 4.031 -6.137 1.00 0.00 C ATOM 597 O GLU A 38 -0.631 2.889 -5.883 1.00 0.00 O ATOM 598 CB GLU A 38 -3.127 4.122 -7.496 1.00 0.00 C ATOM 599 CG GLU A 38 -2.824 2.733 -8.048 1.00 0.00 C ATOM 600 CD GLU A 38 -3.542 2.430 -9.352 1.00 0.00 C ATOM 601 OE1 GLU A 38 -3.704 3.346 -10.184 1.00 0.00 O ATOM 602 OE2 GLU A 38 -3.956 1.267 -9.549 1.00 0.00 O ATOM 0 H GLU A 38 -3.212 6.329 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.988 3.732 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.207 4.250 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.761 4.872 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.749 2.639 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.105 1.986 -7.305 1.00 0.00 H new ATOM 609 N GLU A 39 -0.174 5.025 -6.424 1.00 0.00 N ATOM 610 CA GLU A 39 1.275 4.821 -6.470 1.00 0.00 C ATOM 611 C GLU A 39 1.810 4.355 -5.114 1.00 0.00 C ATOM 612 O GLU A 39 2.859 3.716 -5.041 1.00 0.00 O ATOM 613 CB GLU A 39 1.980 6.105 -6.920 1.00 0.00 C ATOM 614 CG GLU A 39 1.640 7.329 -6.080 1.00 0.00 C ATOM 615 CD GLU A 39 2.238 8.598 -6.657 1.00 0.00 C ATOM 616 OE1 GLU A 39 1.719 9.094 -7.680 1.00 0.00 O ATOM 617 OE2 GLU A 39 3.244 9.093 -6.114 1.00 0.00 O ATOM 0 H GLU A 39 -0.471 5.979 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 39 1.485 4.037 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.058 5.945 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.717 6.306 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.557 7.435 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.007 7.185 -5.064 1.00 0.00 H new ATOM 624 N ASN A 40 1.080 4.673 -4.046 1.00 0.00 N ATOM 625 CA ASN A 40 1.416 4.193 -2.706 1.00 0.00 C ATOM 626 C ASN A 40 1.195 2.684 -2.637 1.00 0.00 C ATOM 627 O ASN A 40 1.995 1.941 -2.054 1.00 0.00 O ATOM 628 CB ASN A 40 0.569 4.916 -1.646 1.00 0.00 C ATOM 629 CG ASN A 40 0.907 6.395 -1.535 1.00 0.00 C ATOM 630 OD1 ASN A 40 2.050 6.804 -1.736 1.00 0.00 O ATOM 631 ND2 ASN A 40 -0.088 7.215 -1.232 1.00 0.00 N ATOM 0 H ASN A 40 0.249 5.263 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 40 2.465 4.408 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.487 4.806 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.721 4.439 -0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.082 8.218 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.024 6.843 -1.071 1.00 0.00 H new ATOM 638 N ILE A 41 0.112 2.231 -3.266 1.00 0.00 N ATOM 639 CA ILE A 41 -0.155 0.806 -3.396 1.00 0.00 C ATOM 640 C ILE A 41 0.947 0.157 -4.230 1.00 0.00 C ATOM 641 O ILE A 41 1.544 -0.840 -3.822 1.00 0.00 O ATOM 642 CB ILE A 41 -1.543 0.534 -4.045 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.674 0.952 -3.090 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.687 -0.935 -4.447 1.00 0.00 C ATOM 645 CD1 ILE A 41 -4.066 0.668 -3.623 1.00 0.00 C ATOM 0 H ILE A 41 -0.593 2.833 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.170 0.372 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.616 1.135 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.546 0.431 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.586 2.018 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.667 -1.095 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.910 -1.193 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.587 -1.565 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.808 0.991 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.216 1.210 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.175 -0.401 -3.803 1.00 0.00 H new ATOM 657 N GLU A 42 1.232 0.760 -5.386 1.00 0.00 N ATOM 658 CA GLU A 42 2.288 0.277 -6.274 1.00 0.00 C ATOM 659 C GLU A 42 3.644 0.312 -5.576 1.00 0.00 C ATOM 660 O GLU A 42 4.537 -0.470 -5.905 1.00 0.00 O ATOM 661 CB GLU A 42 2.333 1.110 -7.561 1.00 0.00 C ATOM 662 CG GLU A 42 1.093 0.957 -8.433 1.00 0.00 C ATOM 663 CD GLU A 42 1.124 1.854 -9.661 1.00 0.00 C ATOM 664 OE1 GLU A 42 0.880 3.073 -9.524 1.00 0.00 O ATOM 665 OE2 GLU A 42 1.406 1.344 -10.768 1.00 0.00 O ATOM 0 H GLU A 42 0.743 1.587 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 42 2.062 -0.757 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.455 2.161 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.211 0.822 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.002 -0.082 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.207 1.188 -7.841 1.00 0.00 H new ATOM 672 N PHE A 43 3.787 1.220 -4.611 1.00 0.00 N ATOM 673 CA PHE A 43 5.007 1.310 -3.819 1.00 0.00 C ATOM 674 C PHE A 43 5.273 -0.010 -3.106 1.00 0.00 C ATOM 675 O PHE A 43 6.285 -0.667 -3.362 1.00 0.00 O ATOM 676 CB PHE A 43 4.928 2.456 -2.797 1.00 0.00 C ATOM 677 CG PHE A 43 6.044 2.426 -1.779 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.304 2.911 -2.093 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.834 1.898 -0.512 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.328 2.869 -1.166 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.854 1.857 0.417 1.00 0.00 C ATOM 682 CZ PHE A 43 8.102 2.342 0.089 1.00 0.00 C ATOM 0 H PHE A 43 3.071 1.902 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 43 5.832 1.521 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.954 3.408 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.971 2.406 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.487 3.326 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.859 1.514 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.306 3.249 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.675 1.446 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.902 2.310 0.814 1.00 0.00 H new ATOM 692 N TRP A 44 4.365 -0.414 -2.216 1.00 0.00 N ATOM 693 CA TRP A 44 4.586 -1.647 -1.468 1.00 0.00 C ATOM 694 C TRP A 44 4.347 -2.879 -2.339 1.00 0.00 C ATOM 695 O TRP A 44 4.759 -3.980 -1.981 1.00 0.00 O ATOM 696 CB TRP A 44 3.800 -1.708 -0.145 1.00 0.00 C ATOM 697 CG TRP A 44 2.339 -1.362 -0.206 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.758 -0.226 0.279 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.274 -2.164 -0.737 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.402 -0.270 0.087 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.080 -1.445 -0.544 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.215 -3.413 -1.361 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.158 -1.935 -0.949 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.014 -3.898 -1.765 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.186 -3.161 -1.558 1.00 0.00 C ATOM 0 H TRP A 44 3.497 0.078 -2.001 1.00 0.00 H new ATOM 0 HA TRP A 44 5.637 -1.646 -1.180 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.893 -2.716 0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.279 -1.034 0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.290 0.589 0.746 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.260 0.453 0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.114 -3.989 -1.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.064 -1.369 -0.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.071 -4.862 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.131 -3.568 -1.885 1.00 0.00 H new ATOM 716 N ILE A 45 3.707 -2.691 -3.492 1.00 0.00 N ATOM 717 CA ILE A 45 3.660 -3.739 -4.511 1.00 0.00 C ATOM 718 C ILE A 45 5.082 -4.048 -4.978 1.00 0.00 C ATOM 719 O ILE A 45 5.493 -5.210 -5.040 1.00 0.00 O ATOM 720 CB ILE A 45 2.769 -3.336 -5.724 1.00 0.00 C ATOM 721 CG1 ILE A 45 1.279 -3.483 -5.368 1.00 0.00 C ATOM 722 CG2 ILE A 45 3.108 -4.152 -6.973 1.00 0.00 C ATOM 723 CD1 ILE A 45 0.340 -3.170 -6.517 1.00 0.00 C ATOM 0 H ILE A 45 3.218 -1.832 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 45 3.211 -4.627 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 45 2.975 -2.290 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.095 -4.502 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.048 -2.822 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.465 -3.841 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.151 -3.986 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.950 -5.211 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.692 -3.296 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.494 -2.141 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.542 -3.847 -7.347 1.00 0.00 H new ATOM 735 N ALA A 46 5.840 -2.989 -5.266 1.00 0.00 N ATOM 736 CA ALA A 46 7.238 -3.121 -5.664 1.00 0.00 C ATOM 737 C ALA A 46 8.073 -3.649 -4.498 1.00 0.00 C ATOM 738 O ALA A 46 9.073 -4.341 -4.698 1.00 0.00 O ATOM 739 CB ALA A 46 7.780 -1.781 -6.152 1.00 0.00 C ATOM 0 H ALA A 46 5.505 -2.026 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 46 7.302 -3.836 -6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.824 -1.896 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.197 -1.443 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.707 -1.045 -5.351 1.00 0.00 H new ATOM 745 N CYS A 47 7.647 -3.318 -3.280 1.00 0.00 N ATOM 746 CA CYS A 47 8.290 -3.821 -2.071 1.00 0.00 C ATOM 747 C CYS A 47 8.172 -5.342 -1.997 1.00 0.00 C ATOM 748 O CYS A 47 9.153 -6.032 -1.723 1.00 0.00 O ATOM 749 CB CYS A 47 7.672 -3.182 -0.822 1.00 0.00 C ATOM 750 SG CYS A 47 8.236 -3.894 0.741 1.00 0.00 S ATOM 0 H CYS A 47 6.855 -2.700 -3.106 1.00 0.00 H new ATOM 0 HA CYS A 47 9.346 -3.553 -2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.900 -2.116 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.588 -3.277 -0.880 1.00 0.00 H new ATOM 0 HG CYS A 47 8.461 -2.941 1.596 1.00 0.00 H new ATOM 756 N GLU A 48 6.973 -5.865 -2.253 1.00 0.00 N ATOM 757 CA GLU A 48 6.761 -7.309 -2.240 1.00 0.00 C ATOM 758 C GLU A 48 7.575 -7.970 -3.351 1.00 0.00 C ATOM 759 O GLU A 48 8.083 -9.078 -3.179 1.00 0.00 O ATOM 760 CB GLU A 48 5.275 -7.660 -2.384 1.00 0.00 C ATOM 761 CG GLU A 48 4.378 -7.004 -1.337 1.00 0.00 C ATOM 762 CD GLU A 48 4.790 -7.339 0.089 1.00 0.00 C ATOM 763 OE1 GLU A 48 4.539 -8.478 0.539 1.00 0.00 O ATOM 764 OE2 GLU A 48 5.368 -6.471 0.776 1.00 0.00 O ATOM 0 H GLU A 48 6.142 -5.315 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 48 7.099 -7.690 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.936 -7.362 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.160 -8.742 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.401 -5.923 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.348 -7.323 -1.497 1.00 0.00 H new ATOM 771 N ASP A 49 7.704 -7.275 -4.487 1.00 0.00 N ATOM 772 CA ASP A 49 8.579 -7.730 -5.574 1.00 0.00 C ATOM 773 C ASP A 49 10.003 -7.887 -5.058 1.00 0.00 C ATOM 774 O ASP A 49 10.651 -8.907 -5.294 1.00 0.00 O ATOM 775 CB ASP A 49 8.559 -6.748 -6.762 1.00 0.00 C ATOM 776 CG ASP A 49 7.453 -7.043 -7.765 1.00 0.00 C ATOM 777 OD1 ASP A 49 7.690 -7.847 -8.695 1.00 0.00 O ATOM 778 OD2 ASP A 49 6.352 -6.467 -7.644 1.00 0.00 O ATOM 0 H ASP A 49 7.216 -6.400 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 49 8.207 -8.692 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.437 -5.733 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.522 -6.784 -7.271 1.00 0.00 H new ATOM 783 N PHE A 50 10.467 -6.867 -4.343 1.00 0.00 N ATOM 784 CA PHE A 50 11.787 -6.874 -3.718 1.00 0.00 C ATOM 785 C PHE A 50 11.904 -8.037 -2.726 1.00 0.00 C ATOM 786 O PHE A 50 12.940 -8.697 -2.629 1.00 0.00 O ATOM 787 CB PHE A 50 12.006 -5.529 -3.003 1.00 0.00 C ATOM 788 CG PHE A 50 13.282 -5.431 -2.204 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.312 -5.809 -0.868 1.00 0.00 C ATOM 790 CD2 PHE A 50 14.445 -4.951 -2.783 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.474 -5.708 -0.131 1.00 0.00 C ATOM 792 CE2 PHE A 50 15.610 -4.850 -2.049 1.00 0.00 C ATOM 793 CZ PHE A 50 15.624 -5.230 -0.722 1.00 0.00 C ATOM 0 H PHE A 50 9.938 -6.010 -4.180 1.00 0.00 H new ATOM 0 HA PHE A 50 12.553 -7.008 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.000 -4.734 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.163 -5.348 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.415 -6.187 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.441 -4.652 -3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.483 -6.003 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.510 -4.474 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.535 -5.153 -0.147 1.00 0.00 H new ATOM 803 N LYS A 51 10.818 -8.284 -2.005 1.00 0.00 N ATOM 804 CA LYS A 51 10.778 -9.326 -0.983 1.00 0.00 C ATOM 805 C LYS A 51 10.748 -10.727 -1.600 1.00 0.00 C ATOM 806 O LYS A 51 11.186 -11.693 -0.971 1.00 0.00 O ATOM 807 CB LYS A 51 9.557 -9.113 -0.075 1.00 0.00 C ATOM 808 CG LYS A 51 9.660 -7.872 0.813 1.00 0.00 C ATOM 809 CD LYS A 51 8.311 -7.464 1.405 1.00 0.00 C ATOM 810 CE LYS A 51 7.637 -8.602 2.160 1.00 0.00 C ATOM 811 NZ LYS A 51 6.320 -8.197 2.720 1.00 0.00 N ATOM 0 H LYS A 51 9.943 -7.771 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 51 11.690 -9.253 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.664 -9.032 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.428 -9.992 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.365 -8.065 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.063 -7.044 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.454 -6.620 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.654 -7.124 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.500 -9.451 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.287 -8.936 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.395 -8.106 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.035 -7.284 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.607 -8.918 2.487 1.00 0.00 H new ATOM 825 N LYS A 52 10.228 -10.842 -2.822 1.00 0.00 N ATOM 826 CA LYS A 52 10.120 -12.146 -3.486 1.00 0.00 C ATOM 827 C LYS A 52 11.175 -12.309 -4.584 1.00 0.00 C ATOM 828 O LYS A 52 11.246 -13.358 -5.230 1.00 0.00 O ATOM 829 CB LYS A 52 8.713 -12.351 -4.074 1.00 0.00 C ATOM 830 CG LYS A 52 8.350 -11.378 -5.194 1.00 0.00 C ATOM 831 CD LYS A 52 6.942 -11.628 -5.733 1.00 0.00 C ATOM 832 CE LYS A 52 6.544 -10.593 -6.780 1.00 0.00 C ATOM 833 NZ LYS A 52 5.186 -10.848 -7.331 1.00 0.00 N ATOM 0 H LYS A 52 9.877 -10.057 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 52 10.298 -12.908 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.636 -13.369 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.980 -12.254 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.420 -10.355 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.071 -11.473 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.892 -12.625 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.228 -11.605 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.573 -9.598 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.271 -10.601 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.956 -10.121 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.164 -11.786 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.487 -10.815 -6.561 1.00 0.00 H new ATOM 847 N SER A 53 11.983 -11.276 -4.803 1.00 0.00 N ATOM 848 CA SER A 53 13.057 -11.347 -5.790 1.00 0.00 C ATOM 849 C SER A 53 14.257 -12.099 -5.215 1.00 0.00 C ATOM 850 O SER A 53 14.646 -11.876 -4.068 1.00 0.00 O ATOM 851 CB SER A 53 13.468 -9.939 -6.247 1.00 0.00 C ATOM 852 OG SER A 53 13.782 -9.097 -5.149 1.00 0.00 O ATOM 0 H SER A 53 11.916 -10.384 -4.313 1.00 0.00 H new ATOM 0 HA SER A 53 12.691 -11.892 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.331 -10.010 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.658 -9.494 -6.826 1.00 0.00 H new ATOM 0 HG SER A 53 13.512 -9.534 -4.314 1.00 0.00 H new ATOM 858 N LYS A 54 14.826 -12.997 -6.012 1.00 0.00 N ATOM 859 CA LYS A 54 15.974 -13.787 -5.591 1.00 0.00 C ATOM 860 C LYS A 54 17.240 -13.301 -6.286 1.00 0.00 C ATOM 861 O LYS A 54 17.184 -12.714 -7.370 1.00 0.00 O ATOM 862 CB LYS A 54 15.722 -15.291 -5.845 1.00 0.00 C ATOM 863 CG LYS A 54 15.133 -15.640 -7.218 1.00 0.00 C ATOM 864 CD LYS A 54 16.164 -15.590 -8.344 1.00 0.00 C ATOM 865 CE LYS A 54 15.553 -16.002 -9.680 1.00 0.00 C ATOM 866 NZ LYS A 54 16.561 -16.015 -10.774 1.00 0.00 N ATOM 0 H LYS A 54 14.507 -13.196 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 54 16.116 -13.656 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.665 -15.824 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.047 -15.664 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.698 -16.638 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.322 -14.948 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.569 -14.581 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.998 -16.250 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.108 -16.993 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.747 -15.314 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.104 -16.300 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.967 -15.064 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.317 -16.690 -10.541 1.00 0.00 H new ATOM 880 N GLY A 55 18.377 -13.545 -5.650 1.00 0.00 N ATOM 881 CA GLY A 55 19.646 -13.068 -6.160 1.00 0.00 C ATOM 882 C GLY A 55 20.083 -11.804 -5.443 1.00 0.00 C ATOM 883 O GLY A 55 19.461 -10.754 -5.617 1.00 0.00 O ATOM 0 H GLY A 55 18.442 -14.072 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 55 20.405 -13.841 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.561 -12.873 -7.229 1.00 0.00 H new ATOM 887 N PRO A 56 21.153 -11.867 -4.619 1.00 0.00 N ATOM 888 CA PRO A 56 21.624 -10.718 -3.833 1.00 0.00 C ATOM 889 C PRO A 56 21.821 -9.477 -4.702 1.00 0.00 C ATOM 890 O PRO A 56 21.495 -8.361 -4.295 1.00 0.00 O ATOM 891 CB PRO A 56 22.967 -11.195 -3.238 1.00 0.00 C ATOM 892 CG PRO A 56 23.305 -12.454 -3.972 1.00 0.00 C ATOM 893 CD PRO A 56 21.992 -13.055 -4.393 1.00 0.00 C ATOM 0 HA PRO A 56 20.904 -10.422 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.744 -10.443 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.879 -11.377 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.933 -12.244 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.861 -13.140 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 56 22.093 -13.658 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.577 -13.704 -3.621 1.00 0.00 H new ATOM 901 N GLN A 57 22.334 -9.690 -5.911 1.00 0.00 N ATOM 902 CA GLN A 57 22.560 -8.606 -6.865 1.00 0.00 C ATOM 903 C GLN A 57 21.268 -7.823 -7.086 1.00 0.00 C ATOM 904 O GLN A 57 21.240 -6.594 -6.972 1.00 0.00 O ATOM 905 CB GLN A 57 23.061 -9.173 -8.199 1.00 0.00 C ATOM 906 CG GLN A 57 24.234 -10.136 -8.053 1.00 0.00 C ATOM 907 CD GLN A 57 24.709 -10.692 -9.382 1.00 0.00 C ATOM 908 OE1 GLN A 57 24.635 -10.024 -10.414 1.00 0.00 O ATOM 909 NE2 GLN A 57 25.183 -11.926 -9.372 1.00 0.00 N ATOM 0 H GLN A 57 22.603 -10.611 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 57 23.316 -7.934 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.239 -9.688 -8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.358 -8.348 -8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 57 25.061 -9.622 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 57 23.942 -10.961 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 57 25.229 -12.448 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 57 25.503 -12.356 -10.240 1.00 0.00 H new ATOM 918 N GLN A 58 20.198 -8.564 -7.363 1.00 0.00 N ATOM 919 CA GLN A 58 18.882 -7.988 -7.614 1.00 0.00 C ATOM 920 C GLN A 58 18.436 -7.159 -6.411 1.00 0.00 C ATOM 921 O GLN A 58 17.933 -6.043 -6.555 1.00 0.00 O ATOM 922 CB GLN A 58 17.873 -9.116 -7.887 1.00 0.00 C ATOM 923 CG GLN A 58 16.481 -8.634 -8.282 1.00 0.00 C ATOM 924 CD GLN A 58 16.457 -7.911 -9.622 1.00 0.00 C ATOM 925 OE1 GLN A 58 15.651 -7.004 -9.834 1.00 0.00 O ATOM 926 NE2 GLN A 58 17.316 -8.322 -10.545 1.00 0.00 N ATOM 0 H GLN A 58 20.220 -9.582 -7.420 1.00 0.00 H new ATOM 0 HA GLN A 58 18.933 -7.335 -8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.263 -9.752 -8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.790 -9.736 -6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.806 -9.489 -8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.101 -7.966 -7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.969 -9.076 -10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.323 -7.884 -11.466 1.00 0.00 H new ATOM 935 N ILE A 59 18.658 -7.713 -5.226 1.00 0.00 N ATOM 936 CA ILE A 59 18.271 -7.070 -3.974 1.00 0.00 C ATOM 937 C ILE A 59 18.977 -5.723 -3.793 1.00 0.00 C ATOM 938 O ILE A 59 18.345 -4.716 -3.466 1.00 0.00 O ATOM 939 CB ILE A 59 18.586 -7.992 -2.764 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.791 -9.305 -2.873 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.293 -7.289 -1.439 1.00 0.00 C ATOM 942 CD1 ILE A 59 16.289 -9.105 -2.949 1.00 0.00 C ATOM 0 H ILE A 59 19.110 -8.619 -5.104 1.00 0.00 H new ATOM 0 HA ILE A 59 17.197 -6.891 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 59 19.650 -8.226 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 59 18.122 -9.847 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.022 -9.932 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.524 -7.961 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.907 -6.392 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.239 -7.013 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.796 -10.074 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.944 -8.591 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.046 -8.505 -3.826 1.00 0.00 H new ATOM 954 N HIS A 60 20.283 -5.705 -4.029 1.00 0.00 N ATOM 955 CA HIS A 60 21.092 -4.506 -3.787 1.00 0.00 C ATOM 956 C HIS A 60 20.647 -3.345 -4.677 1.00 0.00 C ATOM 957 O HIS A 60 20.440 -2.223 -4.195 1.00 0.00 O ATOM 958 CB HIS A 60 22.584 -4.804 -4.001 1.00 0.00 C ATOM 959 CG HIS A 60 23.171 -5.709 -2.960 1.00 0.00 C ATOM 960 ND1 HIS A 60 24.452 -5.579 -2.468 1.00 0.00 N ATOM 961 CD2 HIS A 60 22.637 -6.773 -2.322 1.00 0.00 C ATOM 962 CE1 HIS A 60 24.677 -6.525 -1.577 1.00 0.00 C ATOM 963 NE2 HIS A 60 23.589 -7.264 -1.468 1.00 0.00 N ATOM 0 H HIS A 60 20.808 -6.503 -4.387 1.00 0.00 H new ATOM 0 HA HIS A 60 20.942 -4.210 -2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.718 -5.258 -4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 60 23.136 -3.864 -4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 60 21.640 -7.165 -2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 60 25.596 -6.670 -1.029 1.00 0.00 H new ATOM 0 HE2 HIS A 60 23.476 -8.068 -0.850 1.00 0.00 H new ATOM 972 N LEU A 61 20.486 -3.618 -5.970 1.00 0.00 N ATOM 973 CA LEU A 61 20.134 -2.576 -6.932 1.00 0.00 C ATOM 974 C LEU A 61 18.675 -2.131 -6.769 1.00 0.00 C ATOM 975 O LEU A 61 18.372 -0.941 -6.877 1.00 0.00 O ATOM 976 CB LEU A 61 20.442 -3.041 -8.372 1.00 0.00 C ATOM 977 CG LEU A 61 19.877 -4.419 -8.790 1.00 0.00 C ATOM 978 CD1 LEU A 61 18.424 -4.318 -9.249 1.00 0.00 C ATOM 979 CD2 LEU A 61 20.743 -5.048 -9.883 1.00 0.00 C ATOM 0 H LEU A 61 20.593 -4.548 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 61 20.751 -1.701 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.056 -2.291 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.524 -3.064 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 61 19.901 -5.063 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.063 -5.306 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.812 -3.929 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.359 -3.647 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.329 -6.017 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.760 -4.395 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.759 -5.182 -9.511 1.00 0.00 H new ATOM 991 N LYS A 62 17.777 -3.076 -6.482 1.00 0.00 N ATOM 992 CA LYS A 62 16.366 -2.746 -6.263 1.00 0.00 C ATOM 993 C LYS A 62 16.206 -1.877 -5.022 1.00 0.00 C ATOM 994 O LYS A 62 15.401 -0.943 -5.005 1.00 0.00 O ATOM 995 CB LYS A 62 15.510 -4.019 -6.146 1.00 0.00 C ATOM 996 CG LYS A 62 15.190 -4.670 -7.488 1.00 0.00 C ATOM 997 CD LYS A 62 14.352 -3.746 -8.371 1.00 0.00 C ATOM 998 CE LYS A 62 14.115 -4.335 -9.757 1.00 0.00 C ATOM 999 NZ LYS A 62 13.405 -5.641 -9.705 1.00 0.00 N ATOM 0 H LYS A 62 17.998 -4.068 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 62 16.014 -2.183 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.032 -4.741 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.576 -3.773 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.118 -4.923 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.652 -5.603 -7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.393 -3.557 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.855 -2.784 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.533 -3.632 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.072 -4.465 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.847 -5.767 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.100 -6.411 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.772 -5.659 -8.880 1.00 0.00 H new ATOM 1013 N ALA A 63 16.990 -2.184 -3.993 1.00 0.00 N ATOM 1014 CA ALA A 63 16.989 -1.397 -2.765 1.00 0.00 C ATOM 1015 C ALA A 63 17.288 0.068 -3.069 1.00 0.00 C ATOM 1016 O ALA A 63 16.587 0.967 -2.602 1.00 0.00 O ATOM 1017 CB ALA A 63 18.010 -1.954 -1.780 1.00 0.00 C ATOM 0 H ALA A 63 17.635 -2.974 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 63 15.999 -1.460 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.999 -1.357 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.759 -2.987 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 63 19.004 -1.916 -2.226 1.00 0.00 H new ATOM 1023 N LYS A 64 18.328 0.291 -3.871 1.00 0.00 N ATOM 1024 CA LYS A 64 18.742 1.645 -4.241 1.00 0.00 C ATOM 1025 C LYS A 64 17.637 2.359 -5.026 1.00 0.00 C ATOM 1026 O LYS A 64 17.374 3.545 -4.810 1.00 0.00 O ATOM 1027 CB LYS A 64 20.030 1.601 -5.077 1.00 0.00 C ATOM 1028 CG LYS A 64 21.196 0.880 -4.402 1.00 0.00 C ATOM 1029 CD LYS A 64 21.588 1.521 -3.071 1.00 0.00 C ATOM 1030 CE LYS A 64 22.854 0.891 -2.492 1.00 0.00 C ATOM 1031 NZ LYS A 64 22.680 -0.558 -2.197 1.00 0.00 N ATOM 0 H LYS A 64 18.900 -0.449 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 64 18.931 2.202 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.816 1.110 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.334 2.622 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.926 -0.163 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.057 0.883 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.746 2.590 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.769 1.412 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.676 1.020 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.132 1.415 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.583 -0.957 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.961 -0.677 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.374 -1.053 -3.059 1.00 0.00 H new ATOM 1045 N ALA A 65 16.989 1.621 -5.927 1.00 0.00 N ATOM 1046 CA ALA A 65 15.933 2.171 -6.777 1.00 0.00 C ATOM 1047 C ALA A 65 14.754 2.676 -5.944 1.00 0.00 C ATOM 1048 O ALA A 65 14.364 3.842 -6.043 1.00 0.00 O ATOM 1049 CB ALA A 65 15.469 1.124 -7.785 1.00 0.00 C ATOM 0 H ALA A 65 17.179 0.632 -6.088 1.00 0.00 H new ATOM 0 HA ALA A 65 16.344 3.023 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.683 1.545 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.310 0.823 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.082 0.254 -7.254 1.00 0.00 H new ATOM 1055 N ILE A 66 14.200 1.794 -5.113 1.00 0.00 N ATOM 1056 CA ILE A 66 13.066 2.142 -4.257 1.00 0.00 C ATOM 1057 C ILE A 66 13.453 3.271 -3.298 1.00 0.00 C ATOM 1058 O ILE A 66 12.646 4.157 -2.989 1.00 0.00 O ATOM 1059 CB ILE A 66 12.582 0.913 -3.441 1.00 0.00 C ATOM 1060 CG1 ILE A 66 12.188 -0.238 -4.385 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.411 1.286 -2.527 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.767 -1.508 -3.669 1.00 0.00 C ATOM 0 H ILE A 66 14.519 0.830 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 66 12.252 2.474 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 66 13.406 0.579 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.370 0.094 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.031 -0.464 -5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.092 0.407 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.726 2.064 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.581 1.653 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.505 -2.270 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.590 -1.867 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.903 -1.300 -3.038 1.00 0.00 H new ATOM 1074 N TYR A 67 14.701 3.233 -2.848 1.00 0.00 N ATOM 1075 CA TYR A 67 15.227 4.223 -1.920 1.00 0.00 C ATOM 1076 C TYR A 67 15.142 5.629 -2.508 1.00 0.00 C ATOM 1077 O TYR A 67 14.352 6.454 -2.049 1.00 0.00 O ATOM 1078 CB TYR A 67 16.678 3.883 -1.564 1.00 0.00 C ATOM 1079 CG TYR A 67 17.335 4.849 -0.591 1.00 0.00 C ATOM 1080 CD1 TYR A 67 16.950 4.890 0.746 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.352 5.704 -1.006 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.559 5.753 1.637 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.962 6.572 -0.121 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.562 6.592 1.200 1.00 0.00 C ATOM 1085 OH TYR A 67 19.173 7.449 2.089 1.00 0.00 O ATOM 0 H TYR A 67 15.375 2.516 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 67 14.620 4.201 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.708 2.881 -1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.266 3.856 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.163 4.237 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.670 5.689 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.250 5.770 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.747 7.231 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 67 19.859 7.971 1.622 1.00 0.00 H new ATOM 1095 N GLU A 68 15.933 5.881 -3.546 1.00 0.00 N ATOM 1096 CA GLU A 68 16.056 7.221 -4.119 1.00 0.00 C ATOM 1097 C GLU A 68 14.723 7.736 -4.664 1.00 0.00 C ATOM 1098 O GLU A 68 14.457 8.938 -4.640 1.00 0.00 O ATOM 1099 CB GLU A 68 17.101 7.226 -5.240 1.00 0.00 C ATOM 1100 CG GLU A 68 18.497 6.809 -4.788 1.00 0.00 C ATOM 1101 CD GLU A 68 19.545 7.002 -5.874 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.911 8.166 -6.146 1.00 0.00 O ATOM 1103 OE2 GLU A 68 20.015 5.998 -6.452 1.00 0.00 O ATOM 0 H GLU A 68 16.501 5.173 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 68 16.372 7.886 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.771 6.555 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.153 8.226 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.779 7.389 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.480 5.762 -4.487 1.00 0.00 H new ATOM 1110 N LYS A 69 13.888 6.825 -5.147 1.00 0.00 N ATOM 1111 CA LYS A 69 12.657 7.199 -5.836 1.00 0.00 C ATOM 1112 C LYS A 69 11.512 7.498 -4.858 1.00 0.00 C ATOM 1113 O LYS A 69 10.665 8.354 -5.133 1.00 0.00 O ATOM 1114 CB LYS A 69 12.259 6.088 -6.820 1.00 0.00 C ATOM 1115 CG LYS A 69 10.993 6.384 -7.619 1.00 0.00 C ATOM 1116 CD LYS A 69 10.802 5.403 -8.776 1.00 0.00 C ATOM 1117 CE LYS A 69 10.819 3.950 -8.309 1.00 0.00 C ATOM 1118 NZ LYS A 69 10.602 3.002 -9.433 1.00 0.00 N ATOM 0 H LYS A 69 14.040 5.819 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 69 12.847 8.120 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.083 5.921 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.117 5.161 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.128 6.337 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.041 7.400 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.855 5.612 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.591 5.555 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.775 3.734 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.045 3.802 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.621 2.026 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.679 3.191 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.354 3.124 -10.141 1.00 0.00 H new ATOM 1132 N PHE A 70 11.484 6.814 -3.712 1.00 0.00 N ATOM 1133 CA PHE A 70 10.365 6.959 -2.773 1.00 0.00 C ATOM 1134 C PHE A 70 10.824 7.182 -1.329 1.00 0.00 C ATOM 1135 O PHE A 70 10.309 8.069 -0.640 1.00 0.00 O ATOM 1136 CB PHE A 70 9.453 5.724 -2.832 1.00 0.00 C ATOM 1137 CG PHE A 70 8.661 5.596 -4.114 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.740 6.572 -4.475 1.00 0.00 C ATOM 1139 CD2 PHE A 70 8.828 4.500 -4.950 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.007 6.456 -5.640 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.094 4.381 -6.114 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.184 5.359 -6.460 1.00 0.00 C ATOM 0 H PHE A 70 12.210 6.163 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 70 9.815 7.847 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.063 4.830 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.759 5.759 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.596 7.431 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.540 3.732 -4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.296 7.223 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.232 3.522 -6.754 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.611 5.267 -7.371 1.00 0.00 H new ATOM 1152 N ILE A 71 11.778 6.378 -0.868 1.00 0.00 N ATOM 1153 CA ILE A 71 12.191 6.403 0.540 1.00 0.00 C ATOM 1154 C ILE A 71 12.920 7.700 0.889 1.00 0.00 C ATOM 1155 O ILE A 71 12.754 8.242 1.986 1.00 0.00 O ATOM 1156 CB ILE A 71 13.106 5.199 0.885 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.408 3.872 0.539 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.508 5.229 2.360 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.118 3.636 1.294 1.00 0.00 C ATOM 0 H ILE A 71 12.281 5.702 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 71 11.278 6.339 1.131 1.00 0.00 H new ATOM 0 HB ILE A 71 14.012 5.276 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.199 3.852 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.093 3.049 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.149 4.376 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.047 6.152 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.614 5.181 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.690 2.680 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.321 3.621 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.413 4.436 1.069 1.00 0.00 H new ATOM 1171 N GLN A 72 13.716 8.189 -0.053 1.00 0.00 N ATOM 1172 CA GLN A 72 14.539 9.378 0.150 1.00 0.00 C ATOM 1173 C GLN A 72 13.672 10.584 0.529 1.00 0.00 C ATOM 1174 O GLN A 72 12.600 10.792 -0.036 1.00 0.00 O ATOM 1175 CB GLN A 72 15.352 9.664 -1.126 1.00 0.00 C ATOM 1176 CG GLN A 72 16.256 10.888 -1.039 1.00 0.00 C ATOM 1177 CD GLN A 72 17.232 10.820 0.124 1.00 0.00 C ATOM 1178 OE1 GLN A 72 16.923 11.264 1.229 1.00 0.00 O ATOM 1179 NE2 GLN A 72 18.411 10.269 -0.116 1.00 0.00 N ATOM 0 H GLN A 72 13.811 7.774 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 72 15.228 9.197 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.964 8.792 -1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.662 9.796 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.814 10.988 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.640 11.782 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.627 9.913 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.103 10.200 0.630 1.00 0.00 H new ATOM 1188 N THR A 73 14.144 11.373 1.491 1.00 0.00 N ATOM 1189 CA THR A 73 13.414 12.549 1.965 1.00 0.00 C ATOM 1190 C THR A 73 13.609 13.732 1.006 1.00 0.00 C ATOM 1191 O THR A 73 13.227 14.866 1.291 1.00 0.00 O ATOM 1192 CB THR A 73 13.865 12.916 3.399 1.00 0.00 C ATOM 1193 OG1 THR A 73 13.857 11.725 4.206 1.00 0.00 O ATOM 1194 CG2 THR A 73 12.945 13.958 4.038 1.00 0.00 C ATOM 0 H THR A 73 15.036 11.218 1.962 1.00 0.00 H new ATOM 0 HA THR A 73 12.350 12.313 1.990 1.00 0.00 H new ATOM 0 HB THR A 73 14.866 13.344 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.143 11.945 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.298 14.187 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.951 14.867 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.930 13.564 4.090 1.00 0.00 H new ATOM 1202 N ASP A 74 14.214 13.439 -0.139 1.00 0.00 N ATOM 1203 CA ASP A 74 14.338 14.392 -1.238 1.00 0.00 C ATOM 1204 C ASP A 74 13.940 13.697 -2.537 1.00 0.00 C ATOM 1205 O ASP A 74 14.367 14.083 -3.630 1.00 0.00 O ATOM 1206 CB ASP A 74 15.774 14.937 -1.336 1.00 0.00 C ATOM 1207 CG ASP A 74 16.158 15.810 -0.149 1.00 0.00 C ATOM 1208 OD1 ASP A 74 15.731 16.984 -0.105 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.898 15.333 0.743 1.00 0.00 O ATOM 0 H ASP A 74 14.634 12.530 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 74 13.678 15.240 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.470 14.101 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.876 15.515 -2.254 1.00 0.00 H new ATOM 1214 N ALA A 75 13.110 12.664 -2.396 1.00 0.00 N ATOM 1215 CA ALA A 75 12.654 11.857 -3.528 1.00 0.00 C ATOM 1216 C ALA A 75 11.682 12.646 -4.409 1.00 0.00 C ATOM 1217 O ALA A 75 11.039 13.586 -3.940 1.00 0.00 O ATOM 1218 CB ALA A 75 11.992 10.579 -3.019 1.00 0.00 C ATOM 0 H ALA A 75 12.735 12.363 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 75 13.520 11.594 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.654 9.982 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.711 10.005 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.138 10.836 -2.393 1.00 0.00 H new ATOM 1224 N PRO A 76 11.560 12.268 -5.699 1.00 0.00 N ATOM 1225 CA PRO A 76 10.663 12.951 -6.647 1.00 0.00 C ATOM 1226 C PRO A 76 9.191 12.864 -6.237 1.00 0.00 C ATOM 1227 O PRO A 76 8.374 13.695 -6.639 1.00 0.00 O ATOM 1228 CB PRO A 76 10.901 12.208 -7.973 1.00 0.00 C ATOM 1229 CG PRO A 76 11.479 10.891 -7.580 1.00 0.00 C ATOM 1230 CD PRO A 76 12.293 11.161 -6.345 1.00 0.00 C ATOM 0 HA PRO A 76 10.874 14.019 -6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.971 12.081 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.583 12.761 -8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.694 10.162 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.100 10.481 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.350 10.284 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.317 11.444 -6.590 1.00 0.00 H new ATOM 1238 N LYS A 77 8.856 11.847 -5.448 1.00 0.00 N ATOM 1239 CA LYS A 77 7.486 11.660 -4.970 1.00 0.00 C ATOM 1240 C LYS A 77 7.404 11.800 -3.452 1.00 0.00 C ATOM 1241 O LYS A 77 6.656 12.637 -2.942 1.00 0.00 O ATOM 1242 CB LYS A 77 6.951 10.283 -5.395 1.00 0.00 C ATOM 1243 CG LYS A 77 6.618 10.166 -6.881 1.00 0.00 C ATOM 1244 CD LYS A 77 5.512 11.138 -7.293 1.00 0.00 C ATOM 1245 CE LYS A 77 4.967 10.828 -8.684 1.00 0.00 C ATOM 1246 NZ LYS A 77 4.396 9.455 -8.760 1.00 0.00 N ATOM 0 H LYS A 77 9.514 11.138 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 77 6.870 12.439 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.692 9.525 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.055 10.060 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.513 10.363 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.307 9.146 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.700 11.092 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.899 12.157 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.199 11.556 -8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.766 10.931 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.971 8.875 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.397 9.026 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.420 9.504 -9.117 1.00 0.00 H new ATOM 1260 N GLU A 78 8.190 10.980 -2.746 1.00 0.00 N ATOM 1261 CA GLU A 78 8.142 10.892 -1.283 1.00 0.00 C ATOM 1262 C GLU A 78 6.801 10.327 -0.812 1.00 0.00 C ATOM 1263 O GLU A 78 5.753 10.952 -0.979 1.00 0.00 O ATOM 1264 CB GLU A 78 8.392 12.252 -0.608 1.00 0.00 C ATOM 1265 CG GLU A 78 9.818 12.769 -0.748 1.00 0.00 C ATOM 1266 CD GLU A 78 10.070 13.992 0.120 1.00 0.00 C ATOM 1267 OE1 GLU A 78 10.290 13.819 1.338 1.00 0.00 O ATOM 1268 OE2 GLU A 78 10.033 15.126 -0.404 1.00 0.00 O ATOM 0 H GLU A 78 8.877 10.359 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 78 8.944 10.216 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.708 12.987 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.151 12.168 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.518 11.980 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.012 13.019 -1.791 1.00 0.00 H new ATOM 1275 N VAL A 79 6.844 9.147 -0.204 1.00 0.00 N ATOM 1276 CA VAL A 79 5.637 8.498 0.313 1.00 0.00 C ATOM 1277 C VAL A 79 5.416 8.888 1.783 1.00 0.00 C ATOM 1278 O VAL A 79 4.792 8.155 2.548 1.00 0.00 O ATOM 1279 CB VAL A 79 5.738 6.952 0.173 1.00 0.00 C ATOM 1280 CG1 VAL A 79 4.385 6.284 0.419 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.283 6.568 -1.201 1.00 0.00 C ATOM 0 H VAL A 79 7.702 8.616 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 79 4.784 8.838 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 79 6.433 6.594 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.488 5.204 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.041 6.520 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.660 6.652 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.345 5.482 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.617 6.949 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.276 6.999 -1.332 1.00 0.00 H new ATOM 1291 N ASN A 80 5.947 10.063 2.159 1.00 0.00 N ATOM 1292 CA ASN A 80 5.830 10.620 3.524 1.00 0.00 C ATOM 1293 C ASN A 80 6.053 9.558 4.610 1.00 0.00 C ATOM 1294 O ASN A 80 5.561 9.687 5.735 1.00 0.00 O ATOM 1295 CB ASN A 80 4.476 11.333 3.723 1.00 0.00 C ATOM 1296 CG ASN A 80 3.265 10.416 3.606 1.00 0.00 C ATOM 1297 OD1 ASN A 80 2.828 9.817 4.588 1.00 0.00 O ATOM 1298 ND2 ASN A 80 2.701 10.320 2.409 1.00 0.00 N ATOM 0 H ASN A 80 6.474 10.660 1.522 1.00 0.00 H new ATOM 0 HA ASN A 80 6.625 11.358 3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.467 11.805 4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.386 12.131 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.876 9.734 2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.092 10.832 1.618 1.00 0.00 H new ATOM 1305 N LEU A 81 6.842 8.541 4.268 1.00 0.00 N ATOM 1306 CA LEU A 81 7.138 7.424 5.164 1.00 0.00 C ATOM 1307 C LEU A 81 7.749 7.898 6.488 1.00 0.00 C ATOM 1308 O LEU A 81 8.498 8.879 6.524 1.00 0.00 O ATOM 1309 CB LEU A 81 8.081 6.440 4.449 1.00 0.00 C ATOM 1310 CG LEU A 81 8.740 5.365 5.327 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.706 4.355 5.804 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.874 4.668 4.578 1.00 0.00 C ATOM 0 H LEU A 81 7.296 8.468 3.358 1.00 0.00 H new ATOM 0 HA LEU A 81 6.202 6.922 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.519 5.940 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.869 7.015 3.963 1.00 0.00 H new ATOM 0 HG LEU A 81 9.167 5.856 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.192 3.602 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.940 4.866 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.244 3.873 4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.324 3.912 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.479 4.192 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.630 5.402 4.297 1.00 0.00 H new ATOM 1324 N ASP A 82 7.405 7.181 7.560 1.00 0.00 N ATOM 1325 CA ASP A 82 7.890 7.463 8.915 1.00 0.00 C ATOM 1326 C ASP A 82 9.408 7.668 8.945 1.00 0.00 C ATOM 1327 O ASP A 82 10.160 6.940 8.288 1.00 0.00 O ATOM 1328 CB ASP A 82 7.492 6.314 9.851 1.00 0.00 C ATOM 1329 CG ASP A 82 8.133 6.423 11.226 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.615 7.178 12.075 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.159 5.755 11.461 1.00 0.00 O ATOM 0 H ASP A 82 6.775 6.380 7.512 1.00 0.00 H new ATOM 0 HA ASP A 82 7.429 8.391 9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.408 6.300 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.778 5.366 9.396 1.00 0.00 H new ATOM 1336 N PHE A 83 9.846 8.656 9.724 1.00 0.00 N ATOM 1337 CA PHE A 83 11.253 9.049 9.772 1.00 0.00 C ATOM 1338 C PHE A 83 12.138 7.929 10.323 1.00 0.00 C ATOM 1339 O PHE A 83 13.227 7.685 9.805 1.00 0.00 O ATOM 1340 CB PHE A 83 11.427 10.325 10.608 1.00 0.00 C ATOM 1341 CG PHE A 83 12.825 10.901 10.553 1.00 0.00 C ATOM 1342 CD1 PHE A 83 13.227 11.680 9.474 1.00 0.00 C ATOM 1343 CD2 PHE A 83 13.735 10.668 11.576 1.00 0.00 C ATOM 1344 CE1 PHE A 83 14.504 12.210 9.419 1.00 0.00 C ATOM 1345 CE2 PHE A 83 15.011 11.195 11.524 1.00 0.00 C ATOM 1346 CZ PHE A 83 15.396 11.968 10.444 1.00 0.00 C ATOM 0 H PHE A 83 9.240 9.203 10.336 1.00 0.00 H new ATOM 0 HA PHE A 83 11.571 9.248 8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 83 10.720 11.077 10.259 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.174 10.107 11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.534 11.874 8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.441 10.067 12.424 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.803 12.813 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 83 15.708 11.003 12.327 1.00 0.00 H new ATOM 0 HZ PHE A 83 16.393 12.382 10.403 1.00 0.00 H new ATOM 1356 N HIS A 84 11.675 7.243 11.366 1.00 0.00 N ATOM 1357 CA HIS A 84 12.468 6.174 11.974 1.00 0.00 C ATOM 1358 C HIS A 84 12.549 4.973 11.039 1.00 0.00 C ATOM 1359 O HIS A 84 13.530 4.229 11.050 1.00 0.00 O ATOM 1360 CB HIS A 84 11.892 5.759 13.332 1.00 0.00 C ATOM 1361 CG HIS A 84 12.673 4.668 14.007 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.966 4.834 14.464 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.342 3.385 14.297 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.388 3.706 15.004 1.00 0.00 C ATOM 1365 NE2 HIS A 84 13.423 2.813 14.916 1.00 0.00 N ATOM 0 H HIS A 84 10.768 7.404 11.804 1.00 0.00 H new ATOM 0 HA HIS A 84 13.475 6.556 12.140 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.861 6.630 13.986 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.863 5.427 13.195 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.510 5.694 14.395 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.400 2.903 14.080 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.361 3.542 15.444 1.00 0.00 H new ATOM 1374 N THR A 85 11.517 4.790 10.224 1.00 0.00 N ATOM 1375 CA THR A 85 11.525 3.743 9.214 1.00 0.00 C ATOM 1376 C THR A 85 12.545 4.095 8.128 1.00 0.00 C ATOM 1377 O THR A 85 13.293 3.235 7.661 1.00 0.00 O ATOM 1378 CB THR A 85 10.125 3.542 8.589 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.146 3.368 9.628 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.106 2.327 7.664 1.00 0.00 C ATOM 0 H THR A 85 10.666 5.353 10.244 1.00 0.00 H new ATOM 0 HA THR A 85 11.805 2.805 9.694 1.00 0.00 H new ATOM 0 HB THR A 85 9.886 4.429 8.002 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.179 4.133 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.109 2.209 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.829 2.470 6.861 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.366 1.433 8.232 1.00 0.00 H new ATOM 1388 N LYS A 86 12.577 5.380 7.753 1.00 0.00 N ATOM 1389 CA LYS A 86 13.612 5.902 6.856 1.00 0.00 C ATOM 1390 C LYS A 86 14.990 5.583 7.428 1.00 0.00 C ATOM 1391 O LYS A 86 15.874 5.102 6.723 1.00 0.00 O ATOM 1392 CB LYS A 86 13.477 7.428 6.699 1.00 0.00 C ATOM 1393 CG LYS A 86 12.294 7.894 5.850 1.00 0.00 C ATOM 1394 CD LYS A 86 12.058 9.397 6.018 1.00 0.00 C ATOM 1395 CE LYS A 86 11.133 9.965 4.946 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.805 10.036 3.620 1.00 0.00 N ATOM 0 H LYS A 86 11.897 6.076 8.058 1.00 0.00 H new ATOM 0 HA LYS A 86 13.491 5.432 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.389 7.873 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.395 7.814 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.483 7.667 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.397 7.347 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.629 9.587 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.015 9.918 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.241 9.344 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.803 10.961 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.213 10.578 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.727 10.505 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.945 9.074 3.250 1.00 0.00 H new ATOM 1410 N GLU A 87 15.137 5.855 8.724 1.00 0.00 N ATOM 1411 CA GLU A 87 16.388 5.639 9.447 1.00 0.00 C ATOM 1412 C GLU A 87 16.900 4.212 9.241 1.00 0.00 C ATOM 1413 O GLU A 87 18.029 4.004 8.793 1.00 0.00 O ATOM 1414 CB GLU A 87 16.163 5.908 10.941 1.00 0.00 C ATOM 1415 CG GLU A 87 17.429 5.877 11.788 1.00 0.00 C ATOM 1416 CD GLU A 87 17.131 5.867 13.279 1.00 0.00 C ATOM 1417 OE1 GLU A 87 16.296 6.681 13.736 1.00 0.00 O ATOM 1418 OE2 GLU A 87 17.712 5.028 14.000 1.00 0.00 O ATOM 0 H GLU A 87 14.388 6.233 9.304 1.00 0.00 H new ATOM 0 HA GLU A 87 17.141 6.326 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.690 6.883 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.464 5.167 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.013 4.993 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.044 6.745 11.549 1.00 0.00 H new ATOM 1425 N VAL A 88 16.054 3.235 9.556 1.00 0.00 N ATOM 1426 CA VAL A 88 16.419 1.825 9.422 1.00 0.00 C ATOM 1427 C VAL A 88 16.886 1.523 7.997 1.00 0.00 C ATOM 1428 O VAL A 88 17.894 0.837 7.785 1.00 0.00 O ATOM 1429 CB VAL A 88 15.230 0.897 9.784 1.00 0.00 C ATOM 1430 CG1 VAL A 88 15.617 -0.577 9.644 1.00 0.00 C ATOM 1431 CG2 VAL A 88 14.726 1.194 11.197 1.00 0.00 C ATOM 0 H VAL A 88 15.109 3.393 9.906 1.00 0.00 H new ATOM 0 HA VAL A 88 17.235 1.632 10.118 1.00 0.00 H new ATOM 0 HB VAL A 88 14.421 1.097 9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.764 -1.203 9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.915 -0.779 8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.448 -0.800 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.892 0.533 11.432 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.532 1.030 11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.395 2.231 11.255 1.00 0.00 H new ATOM 1441 N ILE A 89 16.161 2.063 7.024 1.00 0.00 N ATOM 1442 CA ILE A 89 16.478 1.841 5.619 1.00 0.00 C ATOM 1443 C ILE A 89 17.814 2.491 5.250 1.00 0.00 C ATOM 1444 O ILE A 89 18.624 1.888 4.554 1.00 0.00 O ATOM 1445 CB ILE A 89 15.352 2.368 4.692 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.032 1.636 5.001 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.733 2.200 3.218 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.846 2.125 4.195 1.00 0.00 C ATOM 0 H ILE A 89 15.348 2.659 7.183 1.00 0.00 H new ATOM 0 HA ILE A 89 16.561 0.764 5.472 1.00 0.00 H new ATOM 0 HB ILE A 89 15.216 3.433 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.169 0.571 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.807 1.748 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.927 2.577 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.646 2.759 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.898 1.144 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.958 1.558 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.679 3.183 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.046 1.987 3.133 1.00 0.00 H new ATOM 1460 N THR A 90 18.059 3.703 5.746 1.00 0.00 N ATOM 1461 CA THR A 90 19.299 4.413 5.438 1.00 0.00 C ATOM 1462 C THR A 90 20.504 3.702 6.055 1.00 0.00 C ATOM 1463 O THR A 90 21.645 3.911 5.640 1.00 0.00 O ATOM 1464 CB THR A 90 19.260 5.888 5.917 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.007 5.956 7.328 1.00 0.00 O ATOM 1466 CG2 THR A 90 18.191 6.683 5.174 1.00 0.00 C ATOM 0 H THR A 90 17.420 4.211 6.358 1.00 0.00 H new ATOM 0 HA THR A 90 19.399 4.413 4.353 1.00 0.00 H new ATOM 0 HB THR A 90 20.235 6.325 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.875 5.051 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.189 7.713 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.406 6.671 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.214 6.234 5.353 1.00 0.00 H new ATOM 1474 N ASN A 91 20.239 2.851 7.043 1.00 0.00 N ATOM 1475 CA ASN A 91 21.296 2.110 7.727 1.00 0.00 C ATOM 1476 C ASN A 91 21.615 0.808 6.995 1.00 0.00 C ATOM 1477 O ASN A 91 22.758 0.344 7.006 1.00 0.00 O ATOM 1478 CB ASN A 91 20.884 1.809 9.176 1.00 0.00 C ATOM 1479 CG ASN A 91 20.618 3.070 9.981 1.00 0.00 C ATOM 1480 OD1 ASN A 91 21.247 4.107 9.765 1.00 0.00 O ATOM 1481 ND2 ASN A 91 19.682 2.992 10.912 1.00 0.00 N ATOM 0 H ASN A 91 19.299 2.657 7.389 1.00 0.00 H new ATOM 0 HA ASN A 91 22.193 2.730 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 91 19.988 1.188 9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.671 1.232 9.661 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.459 3.809 11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.183 2.115 11.061 1.00 0.00 H new ATOM 1488 N SER A 92 20.605 0.223 6.356 1.00 0.00 N ATOM 1489 CA SER A 92 20.755 -1.073 5.692 1.00 0.00 C ATOM 1490 C SER A 92 20.773 -0.938 4.166 1.00 0.00 C ATOM 1491 O SER A 92 21.005 -1.917 3.456 1.00 0.00 O ATOM 1492 CB SER A 92 19.616 -2.000 6.134 1.00 0.00 C ATOM 1493 OG SER A 92 18.356 -1.365 5.988 1.00 0.00 O ATOM 0 H SER A 92 19.671 0.626 6.283 1.00 0.00 H new ATOM 0 HA SER A 92 21.715 -1.498 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.637 -2.915 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.762 -2.291 7.174 1.00 0.00 H new ATOM 0 HG SER A 92 18.256 -0.675 6.676 1.00 0.00 H new ATOM 1499 N ILE A 93 20.559 0.282 3.670 1.00 0.00 N ATOM 1500 CA ILE A 93 20.436 0.536 2.229 1.00 0.00 C ATOM 1501 C ILE A 93 21.640 0.001 1.447 1.00 0.00 C ATOM 1502 O ILE A 93 21.522 -0.349 0.265 1.00 0.00 O ATOM 1503 CB ILE A 93 20.256 2.051 1.933 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.007 2.289 0.432 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.469 2.849 2.414 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.805 1.544 -0.112 1.00 0.00 C ATOM 0 H ILE A 93 20.466 1.117 4.248 1.00 0.00 H new ATOM 0 HA ILE A 93 19.546 0.001 1.898 1.00 0.00 H new ATOM 0 HB ILE A 93 19.382 2.400 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.870 3.357 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.893 1.988 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.319 3.906 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.590 2.714 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.364 2.496 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.693 1.761 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.948 0.472 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.908 1.862 0.420 1.00 0.00 H new ATOM 1518 N THR A 94 22.794 -0.057 2.105 1.00 0.00 N ATOM 1519 CA THR A 94 24.005 -0.587 1.491 1.00 0.00 C ATOM 1520 C THR A 94 23.767 -2.006 0.955 1.00 0.00 C ATOM 1521 O THR A 94 24.062 -2.298 -0.207 1.00 0.00 O ATOM 1522 CB THR A 94 25.195 -0.580 2.489 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.328 -1.248 1.922 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.817 -1.238 3.816 1.00 0.00 C ATOM 0 H THR A 94 22.915 0.258 3.067 1.00 0.00 H new ATOM 0 HA THR A 94 24.262 0.063 0.655 1.00 0.00 H new ATOM 0 HB THR A 94 25.452 0.461 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.070 -1.234 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.673 -1.215 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.986 -0.696 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.522 -2.272 3.638 1.00 0.00 H new ATOM 1532 N GLN A 95 23.183 -2.862 1.793 1.00 0.00 N ATOM 1533 CA GLN A 95 22.934 -4.257 1.442 1.00 0.00 C ATOM 1534 C GLN A 95 21.887 -4.853 2.388 1.00 0.00 C ATOM 1535 O GLN A 95 22.218 -5.500 3.382 1.00 0.00 O ATOM 1536 CB GLN A 95 24.248 -5.061 1.472 1.00 0.00 C ATOM 1537 CG GLN A 95 25.035 -4.939 2.776 1.00 0.00 C ATOM 1538 CD GLN A 95 26.426 -5.542 2.680 1.00 0.00 C ATOM 1539 OE1 GLN A 95 26.664 -6.482 1.917 1.00 0.00 O ATOM 1540 NE2 GLN A 95 27.357 -5.014 3.456 1.00 0.00 N ATOM 0 H GLN A 95 22.871 -2.608 2.730 1.00 0.00 H new ATOM 0 HA GLN A 95 22.541 -4.309 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.020 -6.112 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.881 -4.730 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.118 -3.887 3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 95 24.484 -5.433 3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 95 27.125 -4.237 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 95 28.308 -5.383 3.436 1.00 0.00 H new ATOM 1549 N PRO A 96 20.597 -4.603 2.102 1.00 0.00 N ATOM 1550 CA PRO A 96 19.495 -5.002 2.977 1.00 0.00 C ATOM 1551 C PRO A 96 19.027 -6.441 2.741 1.00 0.00 C ATOM 1552 O PRO A 96 19.383 -7.074 1.742 1.00 0.00 O ATOM 1553 CB PRO A 96 18.403 -4.004 2.590 1.00 0.00 C ATOM 1554 CG PRO A 96 18.620 -3.768 1.133 1.00 0.00 C ATOM 1555 CD PRO A 96 20.107 -3.896 0.898 1.00 0.00 C ATOM 0 HA PRO A 96 19.774 -4.987 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.409 -4.407 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.489 -3.079 3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.068 -4.494 0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.264 -2.780 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.321 -4.459 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.580 -2.920 0.787 1.00 0.00 H new ATOM 1563 N THR A 97 18.221 -6.940 3.672 1.00 0.00 N ATOM 1564 CA THR A 97 17.674 -8.291 3.600 1.00 0.00 C ATOM 1565 C THR A 97 16.375 -8.293 2.772 1.00 0.00 C ATOM 1566 O THR A 97 15.839 -7.228 2.456 1.00 0.00 O ATOM 1567 CB THR A 97 17.405 -8.824 5.033 1.00 0.00 C ATOM 1568 OG1 THR A 97 18.475 -8.416 5.905 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.291 -10.348 5.064 1.00 0.00 C ATOM 0 H THR A 97 17.928 -6.419 4.499 1.00 0.00 H new ATOM 0 HA THR A 97 18.396 -8.945 3.111 1.00 0.00 H new ATOM 0 HB THR A 97 16.455 -8.407 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 97 18.305 -8.751 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.103 -10.678 6.086 1.00 0.00 H new ATOM 0 HG22 THR A 97 16.468 -10.664 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.221 -10.790 4.705 1.00 0.00 H new ATOM 1577 N LEU A 98 15.876 -9.487 2.435 1.00 0.00 N ATOM 1578 CA LEU A 98 14.681 -9.644 1.592 1.00 0.00 C ATOM 1579 C LEU A 98 13.509 -8.792 2.098 1.00 0.00 C ATOM 1580 O LEU A 98 12.881 -8.063 1.335 1.00 0.00 O ATOM 1581 CB LEU A 98 14.248 -11.125 1.533 1.00 0.00 C ATOM 1582 CG LEU A 98 15.143 -12.079 0.711 1.00 0.00 C ATOM 1583 CD1 LEU A 98 15.240 -11.614 -0.739 1.00 0.00 C ATOM 1584 CD2 LEU A 98 16.533 -12.221 1.333 1.00 0.00 C ATOM 0 H LEU A 98 16.286 -10.371 2.737 1.00 0.00 H new ATOM 0 HA LEU A 98 14.949 -9.300 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 98 14.194 -11.504 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 98 13.239 -11.168 1.123 1.00 0.00 H new ATOM 0 HG LEU A 98 14.676 -13.064 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.875 -12.300 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.245 -11.596 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.670 -10.613 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.135 -12.899 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 98 17.016 -11.244 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 98 16.441 -12.621 2.343 1.00 0.00 H new ATOM 1596 N HIS A 99 13.221 -8.888 3.392 1.00 0.00 N ATOM 1597 CA HIS A 99 12.072 -8.200 3.990 1.00 0.00 C ATOM 1598 C HIS A 99 12.504 -6.925 4.718 1.00 0.00 C ATOM 1599 O HIS A 99 11.892 -6.525 5.706 1.00 0.00 O ATOM 1600 CB HIS A 99 11.324 -9.147 4.950 1.00 0.00 C ATOM 1601 CG HIS A 99 10.592 -10.258 4.249 1.00 0.00 C ATOM 1602 ND1 HIS A 99 9.230 -10.460 4.363 1.00 0.00 N ATOM 1603 CD2 HIS A 99 11.039 -11.216 3.403 1.00 0.00 C ATOM 1604 CE1 HIS A 99 8.873 -11.489 3.613 1.00 0.00 C ATOM 1605 NE2 HIS A 99 9.953 -11.965 3.024 1.00 0.00 N ATOM 0 H HIS A 99 13.769 -9.438 4.054 1.00 0.00 H new ATOM 0 HA HIS A 99 11.396 -7.909 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.038 -9.579 5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.612 -8.567 5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.061 -11.363 3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.870 -11.873 3.502 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.977 -12.762 2.388 1.00 0.00 H new ATOM 1614 N SER A 100 13.538 -6.269 4.204 1.00 0.00 N ATOM 1615 CA SER A 100 14.031 -5.027 4.798 1.00 0.00 C ATOM 1616 C SER A 100 12.980 -3.918 4.699 1.00 0.00 C ATOM 1617 O SER A 100 12.646 -3.270 5.694 1.00 0.00 O ATOM 1618 CB SER A 100 15.320 -4.598 4.100 1.00 0.00 C ATOM 1619 OG SER A 100 15.144 -4.575 2.694 1.00 0.00 O ATOM 0 H SER A 100 14.052 -6.574 3.378 1.00 0.00 H new ATOM 0 HA SER A 100 14.235 -5.204 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.618 -3.610 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.126 -5.284 4.360 1.00 0.00 H new ATOM 0 HG SER A 100 15.478 -5.412 2.309 1.00 0.00 H new ATOM 1625 N PHE A 101 12.445 -3.724 3.495 1.00 0.00 N ATOM 1626 CA PHE A 101 11.435 -2.693 3.244 1.00 0.00 C ATOM 1627 C PHE A 101 10.048 -3.137 3.720 1.00 0.00 C ATOM 1628 O PHE A 101 9.059 -2.437 3.500 1.00 0.00 O ATOM 1629 CB PHE A 101 11.387 -2.342 1.750 1.00 0.00 C ATOM 1630 CG PHE A 101 12.631 -1.656 1.241 1.00 0.00 C ATOM 1631 CD1 PHE A 101 13.734 -2.393 0.836 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.696 -0.271 1.166 1.00 0.00 C ATOM 1633 CE1 PHE A 101 14.872 -1.765 0.367 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.833 0.360 0.699 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.922 -0.388 0.299 1.00 0.00 C ATOM 0 H PHE A 101 12.695 -4.271 2.671 1.00 0.00 H new ATOM 0 HA PHE A 101 11.721 -1.808 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.228 -3.256 1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.528 -1.697 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 101 13.703 -3.471 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.847 0.320 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 101 15.722 -2.352 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.870 1.438 0.647 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.811 0.104 -0.066 1.00 0.00 H new ATOM 1645 N ASP A 102 9.981 -4.292 4.385 1.00 0.00 N ATOM 1646 CA ASP A 102 8.711 -4.821 4.889 1.00 0.00 C ATOM 1647 C ASP A 102 8.065 -3.821 5.847 1.00 0.00 C ATOM 1648 O ASP A 102 6.843 -3.651 5.864 1.00 0.00 O ATOM 1649 CB ASP A 102 8.944 -6.165 5.590 1.00 0.00 C ATOM 1650 CG ASP A 102 7.660 -6.837 6.045 1.00 0.00 C ATOM 1651 OD1 ASP A 102 6.873 -7.261 5.175 1.00 0.00 O ATOM 1652 OD2 ASP A 102 7.461 -6.991 7.270 1.00 0.00 O ATOM 0 H ASP A 102 10.790 -4.879 4.587 1.00 0.00 H new ATOM 0 HA ASP A 102 8.035 -4.979 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.475 -6.833 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.590 -6.009 6.454 1.00 0.00 H new ATOM 1657 N ALA A 103 8.907 -3.147 6.626 1.00 0.00 N ATOM 1658 CA ALA A 103 8.457 -2.080 7.513 1.00 0.00 C ATOM 1659 C ALA A 103 7.772 -0.976 6.714 1.00 0.00 C ATOM 1660 O ALA A 103 6.709 -0.483 7.093 1.00 0.00 O ATOM 1661 CB ALA A 103 9.636 -1.510 8.295 1.00 0.00 C ATOM 0 H ALA A 103 9.911 -3.323 6.660 1.00 0.00 H new ATOM 0 HA ALA A 103 7.737 -2.497 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.286 -0.715 8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.093 -2.300 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.373 -1.108 7.600 1.00 0.00 H new ATOM 1667 N ALA A 104 8.390 -0.607 5.591 1.00 0.00 N ATOM 1668 CA ALA A 104 7.859 0.439 4.721 1.00 0.00 C ATOM 1669 C ALA A 104 6.489 0.041 4.184 1.00 0.00 C ATOM 1670 O ALA A 104 5.584 0.874 4.089 1.00 0.00 O ATOM 1671 CB ALA A 104 8.828 0.725 3.576 1.00 0.00 C ATOM 0 H ALA A 104 9.263 -1.020 5.263 1.00 0.00 H new ATOM 0 HA ALA A 104 7.744 1.352 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.416 1.507 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.784 1.054 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.976 -0.182 2.989 1.00 0.00 H new ATOM 1677 N GLN A 105 6.344 -1.240 3.848 1.00 0.00 N ATOM 1678 CA GLN A 105 5.066 -1.787 3.396 1.00 0.00 C ATOM 1679 C GLN A 105 3.999 -1.552 4.461 1.00 0.00 C ATOM 1680 O GLN A 105 2.930 -1.001 4.178 1.00 0.00 O ATOM 1681 CB GLN A 105 5.215 -3.292 3.087 1.00 0.00 C ATOM 1682 CG GLN A 105 3.950 -3.983 2.553 1.00 0.00 C ATOM 1683 CD GLN A 105 2.998 -4.466 3.644 1.00 0.00 C ATOM 1684 OE1 GLN A 105 3.118 -5.589 4.135 1.00 0.00 O ATOM 1685 NE2 GLN A 105 2.033 -3.637 4.012 1.00 0.00 N ATOM 0 H GLN A 105 7.102 -1.922 3.881 1.00 0.00 H new ATOM 0 HA GLN A 105 4.758 -1.281 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.014 -3.418 2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.531 -3.803 3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.418 -3.290 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.245 -4.834 1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.963 -2.714 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.360 -3.922 4.723 1.00 0.00 H new ATOM 1694 N SER A 106 4.310 -1.960 5.686 1.00 0.00 N ATOM 1695 CA SER A 106 3.388 -1.835 6.809 1.00 0.00 C ATOM 1696 C SER A 106 3.049 -0.365 7.075 1.00 0.00 C ATOM 1697 O SER A 106 1.903 -0.024 7.387 1.00 0.00 O ATOM 1698 CB SER A 106 4.010 -2.485 8.054 1.00 0.00 C ATOM 1699 OG SER A 106 3.099 -2.511 9.141 1.00 0.00 O ATOM 0 H SER A 106 5.205 -2.385 5.928 1.00 0.00 H new ATOM 0 HA SER A 106 2.458 -2.349 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.323 -3.502 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.906 -1.935 8.343 1.00 0.00 H new ATOM 0 HG SER A 106 3.526 -2.932 9.916 1.00 0.00 H new ATOM 1705 N ARG A 107 4.049 0.504 6.932 1.00 0.00 N ATOM 1706 CA ARG A 107 3.871 1.936 7.168 1.00 0.00 C ATOM 1707 C ARG A 107 2.916 2.555 6.150 1.00 0.00 C ATOM 1708 O ARG A 107 1.898 3.131 6.521 1.00 0.00 O ATOM 1709 CB ARG A 107 5.223 2.654 7.145 1.00 0.00 C ATOM 1710 CG ARG A 107 6.121 2.312 8.334 1.00 0.00 C ATOM 1711 CD ARG A 107 5.497 2.736 9.662 1.00 0.00 C ATOM 1712 NE ARG A 107 6.360 2.417 10.801 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.085 2.732 12.069 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.972 3.400 12.373 1.00 0.00 N ATOM 1715 NH2 ARG A 107 6.925 2.376 13.031 1.00 0.00 N ATOM 0 H ARG A 107 4.994 0.240 6.653 1.00 0.00 H new ATOM 0 HA ARG A 107 3.427 2.059 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.744 2.399 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.052 3.730 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.310 1.239 8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.086 2.804 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.301 3.808 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.535 2.239 9.786 1.00 0.00 H new ATOM 0 HE ARG A 107 7.231 1.920 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.324 3.674 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.769 3.637 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.777 1.864 12.801 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.720 2.614 14.001 1.00 0.00 H new ATOM 1729 N VAL A 108 3.233 2.419 4.869 1.00 0.00 N ATOM 1730 CA VAL A 108 2.411 3.014 3.816 1.00 0.00 C ATOM 1731 C VAL A 108 0.986 2.464 3.862 1.00 0.00 C ATOM 1732 O VAL A 108 0.014 3.209 3.709 1.00 0.00 O ATOM 1733 CB VAL A 108 3.030 2.773 2.418 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.147 3.354 1.311 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.436 3.364 2.360 1.00 0.00 C ATOM 0 H VAL A 108 4.048 1.906 4.532 1.00 0.00 H new ATOM 0 HA VAL A 108 2.377 4.089 3.994 1.00 0.00 H new ATOM 0 HB VAL A 108 3.095 1.698 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.609 3.168 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.166 2.880 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.036 4.428 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.864 3.190 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.388 4.436 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.062 2.889 3.115 1.00 0.00 H new ATOM 1745 N TYR A 109 0.877 1.160 4.106 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.418 0.496 4.232 1.00 0.00 C ATOM 1747 C TYR A 109 -1.277 1.158 5.314 1.00 0.00 C ATOM 1748 O TYR A 109 -2.441 1.489 5.079 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.209 -1.002 4.532 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.376 -1.678 5.241 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.439 -1.714 6.632 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.415 -2.270 4.527 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.497 -2.313 7.287 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.476 -2.874 5.178 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.512 -2.889 6.559 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.569 -3.479 7.215 1.00 0.00 O ATOM 0 H TYR A 109 1.677 0.538 4.221 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.953 0.594 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.020 -1.524 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.685 -1.115 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.645 -1.265 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -2.392 -2.257 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.527 -2.329 8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.272 -3.331 4.609 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.013 -2.815 7.783 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.697 1.360 6.498 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.446 1.924 7.621 1.00 0.00 C ATOM 1768 C GLN A 110 -1.718 3.413 7.406 1.00 0.00 C ATOM 1769 O GLN A 110 -2.606 3.981 8.046 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.708 1.691 8.954 1.00 0.00 C ATOM 1771 CG GLN A 110 0.637 2.397 9.059 1.00 0.00 C ATOM 1772 CD GLN A 110 1.410 2.018 10.310 1.00 0.00 C ATOM 1773 OE1 GLN A 110 1.297 2.667 11.348 1.00 0.00 O ATOM 1774 NE2 GLN A 110 2.195 0.956 10.217 1.00 0.00 N ATOM 0 H GLN A 110 0.279 1.144 6.703 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.405 1.408 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.346 2.026 9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.554 0.620 9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.237 2.157 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.477 3.475 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.260 0.445 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.735 0.648 11.026 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.965 4.032 6.492 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.149 5.447 6.174 1.00 0.00 C ATOM 1785 C LEU A 111 -2.482 5.676 5.466 1.00 0.00 C ATOM 1786 O LEU A 111 -3.327 6.429 5.960 1.00 0.00 O ATOM 1787 CB LEU A 111 0.010 5.985 5.315 1.00 0.00 C ATOM 1788 CG LEU A 111 1.365 6.102 6.035 1.00 0.00 C ATOM 1789 CD1 LEU A 111 2.443 6.620 5.087 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.247 7.002 7.266 1.00 0.00 C ATOM 0 H LEU A 111 -0.224 3.574 5.961 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.155 5.996 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.132 5.333 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.267 6.969 4.936 1.00 0.00 H new ATOM 0 HG LEU A 111 1.659 5.106 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.391 6.694 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.551 5.932 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.158 7.604 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.216 7.071 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.924 7.997 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.517 6.580 7.957 1.00 0.00 H new ATOM 1802 N MET A 112 -2.691 5.021 4.318 1.00 0.00 N ATOM 1803 CA MET A 112 -3.941 5.214 3.578 1.00 0.00 C ATOM 1804 C MET A 112 -5.082 4.459 4.257 1.00 0.00 C ATOM 1805 O MET A 112 -6.253 4.698 3.972 1.00 0.00 O ATOM 1806 CB MET A 112 -3.826 4.820 2.089 1.00 0.00 C ATOM 1807 CG MET A 112 -3.857 3.325 1.792 1.00 0.00 C ATOM 1808 SD MET A 112 -2.325 2.481 2.214 1.00 0.00 S ATOM 1809 CE MET A 112 -2.594 0.893 1.426 1.00 0.00 C ATOM 0 H MET A 112 -2.031 4.371 3.891 1.00 0.00 H new ATOM 0 HA MET A 112 -4.160 6.282 3.596 1.00 0.00 H new ATOM 0 HB2 MET A 112 -4.640 5.296 1.543 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.896 5.230 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 112 -4.678 2.869 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 112 -4.065 3.177 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.175 0.102 2.048 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.664 0.726 1.299 1.00 0.00 H new ATOM 0 HE3 MET A 112 -2.107 0.884 0.451 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.736 3.553 5.168 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.738 2.880 5.988 1.00 0.00 C ATOM 1821 C GLU A 113 -6.500 3.910 6.822 1.00 0.00 C ATOM 1822 O GLU A 113 -7.702 4.105 6.649 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.080 1.845 6.914 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.065 1.129 7.839 1.00 0.00 C ATOM 1825 CD GLU A 113 -5.384 0.219 8.852 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -4.835 0.744 9.847 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.411 -1.018 8.675 1.00 0.00 O ATOM 0 H GLU A 113 -3.774 3.269 5.356 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.432 2.360 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.563 1.103 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.323 2.343 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.660 1.872 8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.756 0.539 7.237 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.769 4.615 7.681 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.370 5.536 8.647 1.00 0.00 C ATOM 1836 C GLN A 114 -6.974 6.778 7.980 1.00 0.00 C ATOM 1837 O GLN A 114 -7.441 7.688 8.666 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.327 5.941 9.700 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.062 6.573 9.120 1.00 0.00 C ATOM 1840 CD GLN A 114 -2.958 6.750 10.154 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.149 7.673 10.067 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -2.904 5.855 11.129 1.00 0.00 N ATOM 0 H GLN A 114 -4.751 4.567 7.729 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.193 5.010 9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.784 6.644 10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.047 5.059 10.276 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.692 5.951 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.311 7.544 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.592 5.103 11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.175 5.918 11.839 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.975 6.813 6.648 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.585 7.920 5.909 1.00 0.00 C ATOM 1853 C ASP A 115 -8.544 7.409 4.836 1.00 0.00 C ATOM 1854 O ASP A 115 -9.757 7.618 4.919 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.510 8.801 5.253 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.117 9.871 4.353 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.572 10.912 4.884 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -7.162 9.665 3.122 1.00 0.00 O ATOM 0 H ASP A 115 -6.562 6.090 6.059 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.147 8.516 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.910 9.278 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.836 8.175 4.668 1.00 0.00 H new ATOM 1863 N SER A 116 -7.992 6.735 3.838 1.00 0.00 N ATOM 1864 CA SER A 116 -8.748 6.328 2.661 1.00 0.00 C ATOM 1865 C SER A 116 -9.715 5.181 2.970 1.00 0.00 C ATOM 1866 O SER A 116 -10.755 5.057 2.324 1.00 0.00 O ATOM 1867 CB SER A 116 -7.773 5.930 1.550 1.00 0.00 C ATOM 1868 OG SER A 116 -6.755 6.909 1.405 1.00 0.00 O ATOM 0 H SER A 116 -7.011 6.455 3.820 1.00 0.00 H new ATOM 0 HA SER A 116 -9.355 7.172 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.325 4.963 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.312 5.816 0.609 1.00 0.00 H new ATOM 0 HG SER A 116 -6.140 6.638 0.692 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.384 4.351 3.962 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.237 3.213 4.317 1.00 0.00 C ATOM 1876 C TYR A 117 -11.587 3.695 4.849 1.00 0.00 C ATOM 1877 O TYR A 117 -12.635 3.207 4.425 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.540 2.310 5.344 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.402 1.178 5.875 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.984 0.252 5.017 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.626 1.034 7.242 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.761 -0.782 5.502 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.401 0.003 7.734 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.968 -0.901 6.861 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.742 -1.925 7.350 1.00 0.00 O ATOM 0 H TYR A 117 -8.541 4.443 4.529 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.415 2.627 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.646 1.886 4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -9.210 2.923 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.826 0.343 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.186 1.741 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.204 -1.494 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.562 -0.095 8.797 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.550 -2.747 6.852 1.00 0.00 H new ATOM 1895 N THR A 118 -11.559 4.663 5.760 1.00 0.00 N ATOM 1896 CA THR A 118 -12.786 5.212 6.328 1.00 0.00 C ATOM 1897 C THR A 118 -13.609 5.906 5.242 1.00 0.00 C ATOM 1898 O THR A 118 -14.833 5.733 5.157 1.00 0.00 O ATOM 1899 CB THR A 118 -12.478 6.198 7.480 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.522 7.176 7.047 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.935 5.461 8.701 1.00 0.00 C ATOM 0 H THR A 118 -10.702 5.083 6.120 1.00 0.00 H new ATOM 0 HA THR A 118 -13.366 4.385 6.738 1.00 0.00 H new ATOM 0 HB THR A 118 -13.408 6.693 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.113 6.884 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.727 6.177 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 118 -12.674 4.738 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 118 -11.016 4.940 8.433 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.923 6.673 4.397 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.559 7.316 3.250 1.00 0.00 C ATOM 1911 C ARG A 119 -14.221 6.266 2.359 1.00 0.00 C ATOM 1912 O ARG A 119 -15.352 6.445 1.902 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.531 8.129 2.447 1.00 0.00 C ATOM 1914 CG ARG A 119 -11.979 9.337 3.199 1.00 0.00 C ATOM 1915 CD ARG A 119 -10.985 10.129 2.356 1.00 0.00 C ATOM 1916 NE ARG A 119 -10.563 11.362 3.030 1.00 0.00 N ATOM 1917 CZ ARG A 119 -10.582 12.573 2.466 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -10.917 12.712 1.188 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -10.237 13.641 3.176 1.00 0.00 N ATOM 0 H ARG A 119 -11.925 6.864 4.486 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.325 7.999 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.703 7.477 2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -12.994 8.470 1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.802 9.987 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.492 9.002 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.112 9.511 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -11.438 10.376 1.396 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.233 11.290 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.161 11.892 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.930 13.639 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.958 13.536 4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.251 14.566 2.746 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.516 5.159 2.141 1.00 0.00 N ATOM 1934 CA PHE A 120 -14.028 4.067 1.322 1.00 0.00 C ATOM 1935 C PHE A 120 -15.302 3.492 1.938 1.00 0.00 C ATOM 1936 O PHE A 120 -16.270 3.232 1.233 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.970 2.964 1.158 1.00 0.00 C ATOM 1938 CG PHE A 120 -13.410 1.829 0.263 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -13.290 1.930 -1.118 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.948 0.666 0.799 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.695 0.896 -1.939 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -14.354 -0.369 -0.020 1.00 0.00 C ATOM 1943 CZ PHE A 120 -14.228 -0.254 -1.391 1.00 0.00 C ATOM 0 H PHE A 120 -12.584 4.995 2.523 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.264 4.464 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -12.059 3.404 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.719 2.564 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.875 2.827 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -14.050 0.570 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.595 0.987 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.770 -1.268 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.546 -1.062 -2.033 1.00 0.00 H new ATOM 1953 N LEU A 121 -15.300 3.319 3.257 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.444 2.744 3.964 1.00 0.00 C ATOM 1955 C LEU A 121 -17.708 3.585 3.769 1.00 0.00 C ATOM 1956 O LEU A 121 -18.816 3.051 3.743 1.00 0.00 O ATOM 1957 CB LEU A 121 -16.138 2.600 5.463 1.00 0.00 C ATOM 1958 CG LEU A 121 -15.039 1.587 5.819 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.791 1.566 7.328 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.404 0.192 5.310 1.00 0.00 C ATOM 0 H LEU A 121 -14.517 3.569 3.861 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.625 1.756 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.848 3.576 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -17.055 2.311 5.977 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.117 1.898 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.009 0.842 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.478 2.556 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.709 1.285 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.612 -0.510 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.340 -0.129 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.520 0.219 4.227 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.546 4.899 3.644 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.696 5.791 3.468 1.00 0.00 C ATOM 1974 C LYS A 122 -18.741 6.398 2.064 1.00 0.00 C ATOM 1975 O LYS A 122 -19.521 7.318 1.808 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.678 6.900 4.534 1.00 0.00 C ATOM 1977 CG LYS A 122 -18.888 6.411 5.977 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.348 6.027 6.286 1.00 0.00 C ATOM 1979 CE LYS A 122 -20.737 4.652 5.738 1.00 0.00 C ATOM 1980 NZ LYS A 122 -22.133 4.276 6.097 1.00 0.00 N ATOM 0 H LYS A 122 -16.641 5.369 3.661 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.598 5.192 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.723 7.423 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.454 7.627 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -18.247 5.548 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -18.572 7.193 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.499 6.037 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -21.013 6.781 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.630 4.652 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.049 3.901 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.352 3.338 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -22.230 4.250 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.793 4.978 5.705 1.00 0.00 H new ATOM 1994 N SER A 123 -17.919 5.879 1.153 1.00 0.00 N ATOM 1995 CA SER A 123 -17.916 6.352 -0.231 1.00 0.00 C ATOM 1996 C SER A 123 -19.145 5.836 -0.982 1.00 0.00 C ATOM 1997 O SER A 123 -19.727 4.807 -0.614 1.00 0.00 O ATOM 1998 CB SER A 123 -16.644 5.893 -0.958 1.00 0.00 C ATOM 1999 OG SER A 123 -16.655 4.490 -1.183 1.00 0.00 O ATOM 0 H SER A 123 -17.249 5.134 1.347 1.00 0.00 H new ATOM 0 HA SER A 123 -17.942 7.441 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.559 6.415 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.768 6.162 -0.368 1.00 0.00 H new ATOM 0 HG SER A 123 -16.392 4.025 -0.362 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.525 6.546 -2.047 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.620 6.118 -2.920 1.00 0.00 C ATOM 2007 C ASP A 124 -20.353 4.710 -3.447 1.00 0.00 C ATOM 2008 O ASP A 124 -21.280 3.939 -3.699 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.774 7.081 -4.108 1.00 0.00 C ATOM 2010 CG ASP A 124 -21.025 8.519 -3.681 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -20.040 9.247 -3.426 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -22.200 8.934 -3.607 1.00 0.00 O ATOM 0 H ASP A 124 -19.088 7.424 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.540 6.122 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.872 7.042 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -21.599 6.745 -4.736 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.068 4.389 -3.595 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.642 3.092 -4.108 1.00 0.00 C ATOM 2019 C ILE A 125 -19.087 1.978 -3.162 1.00 0.00 C ATOM 2020 O ILE A 125 -19.698 0.999 -3.587 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.096 3.018 -4.303 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.622 3.975 -5.421 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.651 1.584 -4.607 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -16.747 5.449 -5.087 1.00 0.00 C ATOM 0 H ILE A 125 -18.299 5.018 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.112 2.962 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.634 3.335 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -15.579 3.755 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -17.197 3.771 -6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.569 1.559 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.931 0.933 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.136 1.238 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -16.392 6.044 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -17.791 5.690 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -16.148 5.674 -4.205 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.798 2.147 -1.874 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.129 1.133 -0.877 1.00 0.00 C ATOM 2038 C TYR A 126 -20.641 0.979 -0.743 1.00 0.00 C ATOM 2039 O TYR A 126 -21.140 -0.121 -0.527 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.508 1.479 0.479 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.674 0.388 1.524 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.869 -0.747 1.507 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.635 0.491 2.522 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -18.017 -1.742 2.454 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.788 -0.499 3.472 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.977 -1.612 3.435 1.00 0.00 C ATOM 2047 OH TYR A 126 -19.130 -2.603 4.380 1.00 0.00 O ATOM 0 H TYR A 126 -18.336 2.975 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.713 0.183 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.445 1.679 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.960 2.398 0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -17.116 -0.852 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -20.274 1.361 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.384 -2.617 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -20.540 -0.401 4.241 1.00 0.00 H new ATOM 0 HH TYR A 126 -18.433 -3.281 4.258 1.00 0.00 H new ATOM 2057 N LEU A 127 -21.366 2.086 -0.876 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.829 2.052 -0.842 1.00 0.00 C ATOM 2059 C LEU A 127 -23.361 1.296 -2.057 1.00 0.00 C ATOM 2060 O LEU A 127 -24.367 0.588 -1.972 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.397 3.478 -0.806 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.952 4.337 0.393 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.541 5.744 0.306 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -23.340 3.672 1.712 1.00 0.00 C ATOM 0 H LEU A 127 -20.968 3.016 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 127 -23.148 1.533 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -23.108 3.989 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.485 3.417 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 127 -21.866 4.421 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -23.212 6.330 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -23.203 6.224 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -24.629 5.683 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -23.015 4.297 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -24.422 3.548 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.860 2.696 1.783 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.665 1.441 -3.180 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.004 0.709 -4.396 1.00 0.00 C ATOM 2078 C ASP A 128 -22.706 -0.778 -4.205 1.00 0.00 C ATOM 2079 O ASP A 128 -23.406 -1.643 -4.738 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.219 1.270 -5.591 1.00 0.00 C ATOM 2081 CG ASP A 128 -22.570 0.585 -6.904 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -23.669 0.846 -7.441 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -21.749 -0.212 -7.408 1.00 0.00 O ATOM 0 H ASP A 128 -21.860 2.061 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.068 0.829 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.417 2.338 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.151 1.158 -5.403 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.665 -1.064 -3.426 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.306 -2.439 -3.081 1.00 0.00 C ATOM 2090 C LEU A 129 -22.291 -3.006 -2.059 1.00 0.00 C ATOM 2091 O LEU A 129 -22.578 -4.208 -2.061 1.00 0.00 O ATOM 2092 CB LEU A 129 -19.876 -2.502 -2.522 1.00 0.00 C ATOM 2093 CG LEU A 129 -18.771 -2.023 -3.480 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.399 -2.120 -2.816 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -18.801 -2.818 -4.786 1.00 0.00 C ATOM 0 H LEU A 129 -21.052 -0.358 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.352 -3.041 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -19.832 -1.900 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -19.662 -3.531 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 129 -18.959 -0.976 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.633 -1.776 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.383 -1.497 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.200 -3.156 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.011 -2.462 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -18.646 -3.875 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -19.768 -2.684 -5.271 1.00 0.00 H new ATOM 2107 N MET A 130 -22.802 -2.131 -1.188 1.00 0.00 N ATOM 2108 CA MET A 130 -23.812 -2.515 -0.203 1.00 0.00 C ATOM 2109 C MET A 130 -25.018 -3.107 -0.911 1.00 0.00 C ATOM 2110 O MET A 130 -25.413 -4.234 -0.623 1.00 0.00 O ATOM 2111 CB MET A 130 -24.248 -1.312 0.654 1.00 0.00 C ATOM 2112 CG MET A 130 -23.237 -0.857 1.708 1.00 0.00 C ATOM 2113 SD MET A 130 -23.248 -1.875 3.208 1.00 0.00 S ATOM 2114 CE MET A 130 -22.366 -3.344 2.681 1.00 0.00 C ATOM 0 H MET A 130 -22.530 -1.149 -1.147 1.00 0.00 H new ATOM 0 HA MET A 130 -23.372 -3.259 0.461 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.459 -0.473 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 130 -25.182 -1.564 1.156 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.238 -0.876 1.273 1.00 0.00 H new ATOM 0 HG3 MET A 130 -23.447 0.178 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 130 -21.681 -3.659 3.468 1.00 0.00 H new ATOM 0 HE2 MET A 130 -23.079 -4.144 2.479 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.802 -3.124 1.775 1.00 0.00 H new