USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 158:sc= -1.55 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -150:sc=-0.00241 (180deg=-0.377) USER MOD Set 2.1: A 94 ASN : amide:sc= -2.49! C(o=-7.4!,f=-14!) USER MOD Set 2.2: A 102 CYS SG : rot 45:sc= -4.94! USER MOD Set 3.1: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 53 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0) USER MOD Set 4.2: A 107 GLN : amide:sc= -4.58! C(o=-3.5!,f=-5.6!) USER MOD Set 5.1: A 48 SER OG : rot -35:sc= 0.576 USER MOD Set 5.2: A 49 CYS SG : rot 159:sc= -4.06! USER MOD Set 6.1: A 42 ASN : amide:sc= -0.401 K(o=-9.4,f=-5.8!) USER MOD Set 6.2: A 82 ASN : amide:sc= -9! C(o=-9.4!,f=-5.8!) USER MOD Set 7.1: A 16 SER OG : rot -74:sc= 0.125! USER MOD Set 7.2: A 19 ASN : amide:sc= -1.52! C(o=-1.4!,f=-7.3!) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= -1.44 (180deg=-1.84) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0.00331 (180deg=0.00324) USER MOD Single : A 22 ASN : amide:sc= -4.25! C(o=-4.3!,f=-4.9!) USER MOD Single : A 23 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-6.2!) USER MOD Single : A 25 CYS SG : rot -28:sc= -2.84 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 0.0707 (180deg=-0.514) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -7:sc= 0.0593 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.139 (180deg=-0.697) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.122 (180deg=-0.798) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0537 (180deg=-0.562) USER MOD Single : A 62 SER OG : rot 140:sc= -0.54 USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= -0.598 (180deg=-2.13!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 165:sc= -0.0753 USER MOD Single : A 70 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 74 SER OG : rot -130:sc= 0.0974 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 137:sc= 0.423 (180deg=0.246) USER MOD Single : A 85 SER OG : rot -67:sc= 0.512 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 74:sc= 0.316 USER MOD Single : A 92 SER OG : rot -45:sc= 0.687 USER MOD Single : A 95 MET CE :methyl -176:sc= -0.362 (180deg=-0.432) USER MOD Single : A 108 LYS NZ :NH3+ -157:sc= -1.13 (180deg=-1.69) USER MOD Single : A 112 ASN : amide:sc= -0.953 X(o=-0.95,f=-1.4) USER MOD Single : A 114 MET CE :methyl 136:sc= -2.84 (180deg=-10.1!) USER MOD Single : A 116 LYS NZ :NH3+ 152:sc= -0.268 (180deg=-1.29!) USER MOD Single : A 118 SER OG : rot -41:sc= 0.408 USER MOD Single : A 119 TYR OH : rot -147:sc= -4.07! USER MOD Single : A 124 LYS NZ :NH3+ -158:sc= -0.245 (180deg=-1.03) USER MOD Single : A 125 SER OG : rot 39:sc= 0.71 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -154:sc= -1.56! USER MOD Single : A 133 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -9.254 2.146 -14.272 1.00 17.32 N ATOM 2 CA VAL A 5 -9.514 1.637 -12.890 1.00 16.53 C ATOM 3 C VAL A 5 -11.020 1.661 -12.639 1.00 15.62 C ATOM 4 O VAL A 5 -11.676 2.655 -12.874 1.00 15.21 O ATOM 5 CB VAL A 5 -8.827 2.546 -11.873 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.987 1.953 -10.472 1.00 18.70 C ATOM 7 CG2 VAL A 5 -7.343 2.665 -12.215 1.00 17.86 C ATOM 0 HA VAL A 5 -9.127 0.623 -12.790 1.00 16.53 H new ATOM 0 HB VAL A 5 -9.283 3.536 -11.902 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.497 2.601 -9.745 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.047 1.872 -10.230 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -8.531 0.963 -10.442 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.853 3.314 -11.489 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -6.883 1.677 -12.187 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -7.232 3.089 -13.213 1.00 17.86 H new ATOM 17 N SER A 6 -11.581 0.584 -12.168 1.00 15.43 N ATOM 18 CA SER A 6 -13.045 0.581 -11.916 1.00 14.66 C ATOM 19 C SER A 6 -13.326 1.447 -10.690 1.00 13.40 C ATOM 20 O SER A 6 -12.477 1.623 -9.839 1.00 12.58 O ATOM 21 CB SER A 6 -13.526 -0.845 -11.655 1.00 15.49 C ATOM 22 OG SER A 6 -13.107 -1.250 -10.359 1.00 15.97 O ATOM 0 H SER A 6 -11.094 -0.285 -11.949 1.00 15.43 H new ATOM 0 HA SER A 6 -13.571 0.975 -12.785 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.612 -0.895 -11.731 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.122 -1.521 -12.409 1.00 15.49 H new ATOM 0 HG SER A 6 -13.415 -2.164 -10.186 1.00 15.97 H new ATOM 28 N GLN A 7 -14.503 1.991 -10.590 1.00 13.37 N ATOM 29 CA GLN A 7 -14.818 2.845 -9.415 1.00 12.23 C ATOM 30 C GLN A 7 -14.899 1.956 -8.170 1.00 11.36 C ATOM 31 O GLN A 7 -14.731 2.403 -7.056 1.00 10.97 O ATOM 32 CB GLN A 7 -16.158 3.551 -9.640 1.00 13.19 C ATOM 33 CG GLN A 7 -16.007 4.574 -10.768 1.00 13.36 C ATOM 34 CD GLN A 7 -17.339 5.285 -10.996 1.00 13.61 C ATOM 35 OE1 GLN A 7 -18.391 4.689 -10.864 1.00 13.82 O ATOM 36 NE2 GLN A 7 -17.341 6.545 -11.335 1.00 13.77 N ATOM 0 H GLN A 7 -15.258 1.882 -11.267 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.041 3.598 -9.280 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.928 2.823 -9.895 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.479 4.047 -8.724 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.235 5.300 -10.513 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.687 4.076 -11.684 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.459 7.045 -11.446 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -18.225 7.030 -11.489 1.00 13.77 H new ATOM 45 N GLU A 8 -15.171 0.697 -8.362 1.00 13.01 N ATOM 46 CA GLU A 8 -15.284 -0.245 -7.212 1.00 12.24 C ATOM 47 C GLU A 8 -13.942 -0.391 -6.483 1.00 11.73 C ATOM 48 O GLU A 8 -13.893 -0.486 -5.272 1.00 11.71 O ATOM 49 CB GLU A 8 -15.706 -1.613 -7.742 1.00 13.27 C ATOM 50 CG GLU A 8 -17.154 -1.543 -8.225 1.00 13.55 C ATOM 51 CD GLU A 8 -17.576 -2.909 -8.766 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.712 -3.757 -8.916 1.00 14.92 O ATOM 53 OE2 GLU A 8 -18.755 -3.083 -9.022 1.00 15.06 O ATOM 0 H GLU A 8 -15.322 0.274 -9.278 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.020 0.147 -6.510 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.052 -1.916 -8.560 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.608 -2.365 -6.959 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.808 -1.246 -7.405 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.253 -0.785 -9.002 1.00 13.55 H new ATOM 60 N GLU A 9 -12.857 -0.449 -7.206 1.00 11.46 N ATOM 61 CA GLU A 9 -11.530 -0.635 -6.547 1.00 11.12 C ATOM 62 C GLU A 9 -11.126 0.624 -5.772 1.00 10.28 C ATOM 63 O GLU A 9 -10.715 0.547 -4.632 1.00 10.32 O ATOM 64 CB GLU A 9 -10.481 -0.934 -7.617 1.00 12.40 C ATOM 65 CG GLU A 9 -10.739 -2.322 -8.213 1.00 13.24 C ATOM 66 CD GLU A 9 -10.451 -3.401 -7.166 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.412 -3.322 -6.532 1.00 14.68 O ATOM 68 OE2 GLU A 9 -11.276 -4.286 -7.015 1.00 14.26 O ATOM 0 H GLU A 9 -12.830 -0.376 -8.223 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.598 -1.465 -5.844 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.520 -0.177 -8.401 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.482 -0.893 -7.183 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.773 -2.396 -8.549 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.107 -2.475 -9.088 1.00 13.24 H new ATOM 75 N VAL A 10 -11.243 1.778 -6.363 1.00 9.75 N ATOM 76 CA VAL A 10 -10.863 3.012 -5.623 1.00 9.10 C ATOM 77 C VAL A 10 -11.810 3.194 -4.439 1.00 7.91 C ATOM 78 O VAL A 10 -11.405 3.556 -3.359 1.00 7.70 O ATOM 79 CB VAL A 10 -10.942 4.221 -6.551 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.927 4.055 -7.686 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.350 4.314 -7.131 1.00 11.17 C ATOM 0 H VAL A 10 -11.581 1.921 -7.315 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.840 2.921 -5.259 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.716 5.131 -5.995 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.981 4.917 -8.351 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.923 3.981 -7.268 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.154 3.149 -8.248 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.414 5.176 -7.795 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.573 3.406 -7.692 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.071 4.426 -6.321 1.00 11.17 H new ATOM 91 N LYS A 11 -13.067 2.924 -4.620 1.00 7.38 N ATOM 92 CA LYS A 11 -14.006 3.064 -3.479 1.00 6.32 C ATOM 93 C LYS A 11 -13.537 2.118 -2.378 1.00 5.68 C ATOM 94 O LYS A 11 -13.559 2.445 -1.208 1.00 5.93 O ATOM 95 CB LYS A 11 -15.427 2.702 -3.927 1.00 8.26 C ATOM 96 CG LYS A 11 -15.978 3.779 -4.881 1.00 8.64 C ATOM 97 CD LYS A 11 -16.509 4.987 -4.094 1.00 9.23 C ATOM 98 CE LYS A 11 -17.093 6.011 -5.071 1.00 9.91 C ATOM 99 NZ LYS A 11 -15.981 6.744 -5.743 1.00 10.51 N ATOM 0 H LYS A 11 -13.483 2.615 -5.499 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.020 4.091 -3.113 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.422 1.733 -4.426 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.077 2.610 -3.057 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.193 4.102 -5.564 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.777 3.357 -5.490 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.273 4.667 -3.386 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -15.705 5.439 -3.513 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.714 5.509 -5.813 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.736 6.712 -4.539 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.231 7.750 -5.830 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -15.113 6.651 -5.178 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.823 6.343 -6.690 1.00 10.51 H new ATOM 113 N LYS A 12 -13.092 0.949 -2.749 1.00 5.08 N ATOM 114 CA LYS A 12 -12.599 -0.013 -1.731 1.00 4.72 C ATOM 115 C LYS A 12 -11.340 0.556 -1.074 1.00 4.34 C ATOM 116 O LYS A 12 -11.035 0.248 0.063 1.00 4.65 O ATOM 117 CB LYS A 12 -12.285 -1.362 -2.385 1.00 6.91 C ATOM 118 CG LYS A 12 -13.592 -2.102 -2.696 1.00 7.86 C ATOM 119 CD LYS A 12 -13.327 -3.232 -3.698 1.00 8.86 C ATOM 120 CE LYS A 12 -12.277 -4.194 -3.132 1.00 9.89 C ATOM 121 NZ LYS A 12 -12.239 -5.433 -3.962 1.00 10.82 N ATOM 0 H LYS A 12 -13.050 0.621 -3.714 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.369 -0.167 -0.975 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.715 -1.209 -3.302 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.664 -1.963 -1.721 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.016 -2.510 -1.779 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.325 -1.407 -3.104 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.252 -3.770 -3.906 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.980 -2.817 -4.644 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -11.297 -3.717 -3.126 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -12.516 -4.443 -2.098 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -11.539 -6.093 -3.568 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -13.177 -5.881 -3.959 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -11.975 -5.189 -4.938 1.00 10.82 H new ATOM 135 N TRP A 13 -10.607 1.401 -1.760 1.00 4.15 N ATOM 136 CA TRP A 13 -9.389 1.982 -1.128 1.00 3.58 C ATOM 137 C TRP A 13 -9.827 2.714 0.136 1.00 2.38 C ATOM 138 O TRP A 13 -9.153 2.704 1.129 1.00 2.83 O ATOM 139 CB TRP A 13 -8.703 2.998 -2.046 1.00 4.70 C ATOM 140 CG TRP A 13 -8.156 2.350 -3.278 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.252 1.039 -3.604 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.417 2.985 -4.357 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.617 0.836 -4.819 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.086 2.010 -5.320 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.010 4.308 -4.584 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.373 2.340 -6.475 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.295 4.646 -5.741 1.00 5.91 C ATOM 148 CH2 TRP A 13 -5.976 3.663 -6.685 1.00 6.26 C ATOM 0 H TRP A 13 -10.798 1.707 -2.714 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.686 1.175 -0.920 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.416 3.773 -2.328 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.895 3.490 -1.505 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.742 0.278 -3.015 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.550 -0.068 -5.286 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.250 5.073 -3.861 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.130 1.578 -7.201 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.989 5.669 -5.905 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.424 3.927 -7.575 1.00 6.26 H new ATOM 159 N ALA A 14 -10.955 3.356 0.113 1.00 0.01 N ATOM 160 CA ALA A 14 -11.402 4.078 1.336 1.00 0.01 C ATOM 161 C ALA A 14 -12.001 3.070 2.319 1.00 0.01 C ATOM 162 O ALA A 14 -12.276 3.390 3.458 1.00 0.01 O ATOM 163 CB ALA A 14 -12.457 5.120 0.963 1.00 0.00 C ATOM 0 H ALA A 14 -11.583 3.414 -0.688 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.552 4.581 1.796 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.782 5.646 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.030 5.834 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.312 4.624 0.504 1.00 0.00 H new ATOM 169 N GLU A 15 -12.210 1.854 1.886 1.00 0.01 N ATOM 170 CA GLU A 15 -12.799 0.827 2.802 1.00 0.01 C ATOM 171 C GLU A 15 -11.700 0.102 3.591 1.00 0.01 C ATOM 172 O GLU A 15 -11.918 -0.315 4.712 1.00 0.01 O ATOM 173 CB GLU A 15 -13.580 -0.202 1.982 1.00 0.01 C ATOM 174 CG GLU A 15 -14.743 0.487 1.270 1.00 0.01 C ATOM 175 CD GLU A 15 -15.761 0.970 2.305 1.00 0.01 C ATOM 176 OE1 GLU A 15 -16.280 0.138 3.029 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.006 2.165 2.353 1.00 0.01 O ATOM 0 H GLU A 15 -12.000 1.527 0.943 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.462 1.334 3.503 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.923 -0.675 1.253 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.955 -0.992 2.633 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.377 1.330 0.684 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.217 -0.204 0.573 1.00 0.01 H new ATOM 184 N SER A 16 -10.525 -0.065 3.031 1.00 0.01 N ATOM 185 CA SER A 16 -9.451 -0.782 3.789 1.00 0.01 C ATOM 186 C SER A 16 -8.102 -0.683 3.064 1.00 0.00 C ATOM 187 O SER A 16 -8.024 -0.714 1.852 1.00 0.00 O ATOM 188 CB SER A 16 -9.831 -2.258 3.925 1.00 0.01 C ATOM 189 OG SER A 16 -9.916 -2.840 2.630 1.00 0.01 O ATOM 0 H SER A 16 -10.266 0.258 2.099 1.00 0.01 H new ATOM 0 HA SER A 16 -9.356 -0.317 4.770 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.088 -2.783 4.525 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.785 -2.354 4.443 1.00 0.01 H new ATOM 0 HG SER A 16 -10.731 -2.528 2.184 1.00 0.01 H new ATOM 195 N LEU A 17 -7.041 -0.583 3.823 1.00 0.00 N ATOM 196 CA LEU A 17 -5.667 -0.488 3.243 1.00 0.00 C ATOM 197 C LEU A 17 -5.361 -1.728 2.402 1.00 0.01 C ATOM 198 O LEU A 17 -4.733 -1.648 1.365 1.00 0.00 O ATOM 199 CB LEU A 17 -4.661 -0.368 4.393 1.00 0.01 C ATOM 200 CG LEU A 17 -3.221 -0.285 3.863 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.068 0.896 2.896 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.273 -0.090 5.050 1.00 0.00 C ATOM 0 H LEU A 17 -7.070 -0.563 4.842 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.598 0.387 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.885 0.519 4.985 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.758 -1.227 5.057 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.983 -1.205 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.041 0.938 2.532 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.747 0.766 2.053 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.307 1.824 3.415 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.246 -0.029 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.529 0.832 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.368 -0.933 5.734 1.00 0.00 H new ATOM 214 N GLU A 18 -5.784 -2.876 2.845 1.00 0.01 N ATOM 215 CA GLU A 18 -5.505 -4.119 2.079 1.00 0.00 C ATOM 216 C GLU A 18 -6.012 -3.974 0.638 1.00 0.00 C ATOM 217 O GLU A 18 -5.374 -4.412 -0.297 1.00 0.01 O ATOM 218 CB GLU A 18 -6.238 -5.284 2.745 1.00 0.01 C ATOM 219 CG GLU A 18 -5.580 -5.601 4.088 1.00 0.01 C ATOM 220 CD GLU A 18 -6.423 -6.634 4.838 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.422 -7.065 4.288 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.057 -6.970 5.952 1.00 0.01 O ATOM 0 H GLU A 18 -6.313 -3.008 3.707 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.430 -4.301 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.287 -5.030 2.893 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.211 -6.161 2.099 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.572 -5.984 3.930 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.486 -4.692 4.682 1.00 0.01 H new ATOM 229 N ASN A 19 -7.156 -3.375 0.450 1.00 0.01 N ATOM 230 CA ASN A 19 -7.695 -3.222 -0.934 1.00 0.00 C ATOM 231 C ASN A 19 -6.769 -2.331 -1.770 1.00 0.00 C ATOM 232 O ASN A 19 -6.526 -2.586 -2.935 1.00 0.01 O ATOM 233 CB ASN A 19 -9.075 -2.566 -0.869 1.00 0.01 C ATOM 234 CG ASN A 19 -10.080 -3.528 -0.232 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.941 -3.111 0.518 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.007 -4.803 -0.496 1.00 0.01 N ATOM 0 H ASN A 19 -7.740 -2.986 1.190 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.763 -4.208 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.022 -1.645 -0.289 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.405 -2.293 -1.871 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.672 -5.450 -0.073 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.285 -5.153 -1.125 1.00 0.01 H new ATOM 243 N LEU A 20 -6.262 -1.280 -1.187 1.00 0.00 N ATOM 244 CA LEU A 20 -5.369 -0.359 -1.946 1.00 0.01 C ATOM 245 C LEU A 20 -4.143 -1.129 -2.444 1.00 0.01 C ATOM 246 O LEU A 20 -3.767 -1.042 -3.594 1.00 0.00 O ATOM 247 CB LEU A 20 -4.916 0.783 -1.020 1.00 0.00 C ATOM 248 CG LEU A 20 -4.005 1.776 -1.775 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.830 2.580 -2.789 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.355 2.744 -0.776 1.00 0.01 C ATOM 0 H LEU A 20 -6.428 -1.018 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.908 0.052 -2.800 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.788 1.308 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.382 0.372 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.232 1.215 -2.300 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.179 3.277 -3.316 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.289 1.899 -3.506 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.609 3.135 -2.266 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.713 3.443 -1.312 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.131 3.297 -0.247 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.758 2.180 -0.059 1.00 0.01 H new ATOM 262 N ILE A 21 -3.500 -1.856 -1.574 1.00 0.01 N ATOM 263 CA ILE A 21 -2.279 -2.605 -1.985 1.00 0.00 C ATOM 264 C ILE A 21 -2.654 -3.907 -2.704 1.00 0.00 C ATOM 265 O ILE A 21 -1.833 -4.514 -3.361 1.00 0.00 O ATOM 266 CB ILE A 21 -1.437 -2.914 -0.737 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.084 -4.053 0.073 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.354 -1.656 0.133 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.384 -4.202 1.430 1.00 0.01 C ATOM 0 H ILE A 21 -3.767 -1.964 -0.595 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.702 -1.993 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.438 -3.223 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.144 -3.846 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.018 -4.988 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.758 -1.866 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.887 -0.851 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.358 -1.354 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.850 -5.010 1.993 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.330 -4.431 1.273 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -1.474 -3.271 1.990 1.00 0.01 H new ATOM 281 N ASN A 22 -3.874 -4.359 -2.570 1.00 0.00 N ATOM 282 CA ASN A 22 -4.264 -5.640 -3.236 1.00 0.01 C ATOM 283 C ASN A 22 -4.778 -5.372 -4.653 1.00 0.01 C ATOM 284 O ASN A 22 -5.000 -6.289 -5.418 1.00 0.01 O ATOM 285 CB ASN A 22 -5.361 -6.330 -2.422 1.00 0.01 C ATOM 286 CG ASN A 22 -4.785 -6.827 -1.092 1.00 0.01 C ATOM 287 OD1 ASN A 22 -5.473 -6.840 -0.090 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.548 -7.237 -1.036 1.00 0.01 N ATOM 0 H ASN A 22 -4.612 -3.902 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.386 -6.284 -3.293 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.181 -5.636 -2.237 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.773 -7.167 -2.986 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -3.160 -7.568 -0.153 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.969 -7.227 -1.876 1.00 0.01 H new ATOM 295 N HIS A 23 -4.960 -4.129 -5.026 1.00 0.01 N ATOM 296 CA HIS A 23 -5.449 -3.840 -6.411 1.00 0.01 C ATOM 297 C HIS A 23 -4.245 -3.652 -7.335 1.00 0.01 C ATOM 298 O HIS A 23 -3.251 -3.059 -6.966 1.00 0.01 O ATOM 299 CB HIS A 23 -6.301 -2.571 -6.423 1.00 0.00 C ATOM 300 CG HIS A 23 -6.796 -2.327 -7.825 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.871 -3.341 -8.769 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.237 -1.194 -8.461 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.337 -2.801 -9.909 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.576 -1.494 -9.777 1.00 0.01 N ATOM 0 H HIS A 23 -4.794 -3.311 -4.440 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.060 -4.675 -6.755 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.143 -2.676 -5.739 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.714 -1.720 -6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.310 -0.216 -8.008 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.498 -3.357 -10.821 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -7.931 -0.854 -10.487 1.00 0.01 H new ATOM 312 N GLU A 24 -4.324 -4.173 -8.527 1.00 0.01 N ATOM 313 CA GLU A 24 -3.185 -4.049 -9.479 1.00 0.01 C ATOM 314 C GLU A 24 -2.884 -2.573 -9.755 1.00 0.01 C ATOM 315 O GLU A 24 -1.738 -2.170 -9.840 1.00 0.01 O ATOM 316 CB GLU A 24 -3.543 -4.755 -10.790 1.00 0.01 C ATOM 317 CG GLU A 24 -2.313 -4.816 -11.700 1.00 0.01 C ATOM 318 CD GLU A 24 -1.249 -5.718 -11.071 1.00 0.01 C ATOM 319 OE1 GLU A 24 -1.593 -6.469 -10.173 1.00 0.00 O ATOM 320 OE2 GLU A 24 -0.109 -5.645 -11.497 1.00 0.01 O ATOM 0 H GLU A 24 -5.132 -4.682 -8.885 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.301 -4.512 -9.041 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.904 -5.762 -10.584 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.351 -4.223 -11.291 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.594 -5.198 -12.681 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.911 -3.814 -11.851 1.00 0.01 H new ATOM 327 N CYS A 25 -3.894 -1.756 -9.892 1.00 0.01 N ATOM 328 CA CYS A 25 -3.635 -0.314 -10.161 1.00 0.01 C ATOM 329 C CYS A 25 -3.332 0.379 -8.839 1.00 0.01 C ATOM 330 O CYS A 25 -2.582 1.335 -8.786 1.00 0.00 O ATOM 331 CB CYS A 25 -4.865 0.330 -10.801 1.00 0.01 C ATOM 332 SG CYS A 25 -4.441 2.007 -11.335 1.00 0.00 S ATOM 0 H CYS A 25 -4.877 -2.022 -9.830 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.791 -0.215 -10.843 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.201 -0.263 -11.652 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.689 0.359 -10.088 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.500 2.480 -10.573 1.00 0.00 H new ATOM 338 N GLY A 26 -3.882 -0.109 -7.764 1.00 0.01 N ATOM 339 CA GLY A 26 -3.586 0.513 -6.451 1.00 0.01 C ATOM 340 C GLY A 26 -2.082 0.407 -6.217 1.00 0.01 C ATOM 341 O GLY A 26 -1.425 1.365 -5.859 1.00 0.01 O ATOM 0 H GLY A 26 -4.519 -0.906 -7.740 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.902 1.556 -6.442 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.134 0.007 -5.656 1.00 0.01 H new ATOM 345 N LEU A 27 -1.524 -0.755 -6.445 1.00 0.01 N ATOM 346 CA LEU A 27 -0.058 -0.921 -6.265 1.00 0.00 C ATOM 347 C LEU A 27 0.653 0.043 -7.210 1.00 0.00 C ATOM 348 O LEU A 27 1.618 0.686 -6.851 1.00 0.00 O ATOM 349 CB LEU A 27 0.349 -2.357 -6.616 1.00 0.00 C ATOM 350 CG LEU A 27 -0.177 -3.338 -5.558 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.080 -4.764 -6.108 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.655 -3.239 -4.265 1.00 0.01 C ATOM 0 H LEU A 27 -2.023 -1.592 -6.747 1.00 0.01 H new ATOM 0 HA LEU A 27 0.214 -0.715 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.046 -2.624 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.435 -2.429 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.213 -3.088 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.452 -5.467 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.679 -4.846 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.960 -4.995 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.267 -3.942 -3.528 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.696 -3.479 -4.483 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.592 -2.226 -3.869 1.00 0.01 H new ATOM 364 N ALA A 28 0.174 0.152 -8.421 1.00 0.00 N ATOM 365 CA ALA A 28 0.819 1.080 -9.390 1.00 0.00 C ATOM 366 C ALA A 28 0.766 2.501 -8.834 1.00 0.01 C ATOM 367 O ALA A 28 1.762 3.195 -8.775 1.00 0.00 O ATOM 368 CB ALA A 28 0.072 1.024 -10.723 1.00 0.00 C ATOM 0 H ALA A 28 -0.633 -0.360 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 28 1.857 0.786 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.544 1.703 -11.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.105 0.008 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.966 1.321 -10.571 1.00 0.00 H new ATOM 374 N ALA A 29 -0.387 2.937 -8.419 1.00 0.00 N ATOM 375 CA ALA A 29 -0.505 4.309 -7.858 1.00 0.01 C ATOM 376 C ALA A 29 0.201 4.361 -6.502 1.00 0.00 C ATOM 377 O ALA A 29 0.982 5.250 -6.226 1.00 0.00 O ATOM 378 CB ALA A 29 -1.983 4.656 -7.673 1.00 0.01 C ATOM 0 H ALA A 29 -1.255 2.402 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.045 5.025 -8.539 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.072 5.662 -7.262 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.490 4.612 -8.637 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.441 3.942 -6.989 1.00 0.01 H new ATOM 384 N PHE A 30 -0.086 3.415 -5.649 1.00 0.00 N ATOM 385 CA PHE A 30 0.541 3.398 -4.299 1.00 0.00 C ATOM 386 C PHE A 30 2.063 3.306 -4.411 1.00 0.00 C ATOM 387 O PHE A 30 2.777 4.073 -3.803 1.00 0.00 O ATOM 388 CB PHE A 30 0.007 2.201 -3.509 1.00 0.00 C ATOM 389 CG PHE A 30 0.637 2.184 -2.136 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.360 3.214 -1.229 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.500 1.143 -1.767 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.945 3.206 0.043 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.084 1.135 -0.496 1.00 0.00 C ATOM 394 CZ PHE A 30 1.808 2.168 0.409 1.00 0.00 C ATOM 0 H PHE A 30 -0.733 2.648 -5.832 1.00 0.00 H new ATOM 0 HA PHE A 30 0.290 4.324 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.078 2.263 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.232 1.274 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.306 4.016 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.714 0.347 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.730 4.001 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.748 0.332 -0.212 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.262 2.163 1.389 1.00 0.00 H new ATOM 404 N LYS A 31 2.578 2.386 -5.180 1.00 0.00 N ATOM 405 CA LYS A 31 4.060 2.281 -5.293 1.00 0.00 C ATOM 406 C LYS A 31 4.611 3.596 -5.838 1.00 0.00 C ATOM 407 O LYS A 31 5.630 4.089 -5.393 1.00 0.00 O ATOM 408 CB LYS A 31 4.430 1.141 -6.246 1.00 0.00 C ATOM 409 CG LYS A 31 4.091 -0.202 -5.593 1.00 0.00 C ATOM 410 CD LYS A 31 4.223 -1.330 -6.624 1.00 0.00 C ATOM 411 CE LYS A 31 5.696 -1.539 -6.990 1.00 0.01 C ATOM 412 NZ LYS A 31 5.855 -2.855 -7.673 1.00 0.00 N ATOM 0 H LYS A 31 2.045 1.711 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 31 4.486 2.077 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.888 1.248 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.493 1.183 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.759 -0.386 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.076 -0.177 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.806 -2.253 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.649 -1.085 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.038 -0.735 -7.642 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.313 -1.506 -6.092 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.855 -2.998 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.544 -3.616 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.277 -2.869 -8.538 1.00 0.00 H new ATOM 426 N ALA A 32 3.937 4.177 -6.788 1.00 0.00 N ATOM 427 CA ALA A 32 4.419 5.462 -7.352 1.00 0.00 C ATOM 428 C ALA A 32 4.247 6.571 -6.313 1.00 0.01 C ATOM 429 O ALA A 32 5.116 7.396 -6.126 1.00 0.00 O ATOM 430 CB ALA A 32 3.608 5.800 -8.603 1.00 0.00 C ATOM 0 H ALA A 32 3.075 3.817 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 32 5.473 5.375 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.959 6.744 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.732 5.008 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.554 5.890 -8.340 1.00 0.00 H new ATOM 436 N PHE A 33 3.134 6.606 -5.632 1.00 0.00 N ATOM 437 CA PHE A 33 2.938 7.674 -4.617 1.00 0.00 C ATOM 438 C PHE A 33 4.011 7.549 -3.532 1.00 0.00 C ATOM 439 O PHE A 33 4.508 8.531 -3.027 1.00 0.00 O ATOM 440 CB PHE A 33 1.549 7.585 -3.981 1.00 0.00 C ATOM 441 CG PHE A 33 1.281 8.885 -3.262 1.00 0.00 C ATOM 442 CD1 PHE A 33 1.728 9.067 -1.948 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.619 9.921 -3.927 1.00 0.00 C ATOM 444 CE1 PHE A 33 1.505 10.288 -1.298 1.00 0.00 C ATOM 445 CE2 PHE A 33 0.402 11.142 -3.282 1.00 0.01 C ATOM 446 CZ PHE A 33 0.845 11.326 -1.968 1.00 0.00 C ATOM 0 H PHE A 33 2.361 5.948 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 33 3.022 8.640 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.791 7.408 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.502 6.748 -3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.244 8.268 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.275 9.778 -4.941 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.842 10.429 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.107 11.943 -3.798 1.00 0.01 H new ATOM 0 HZ PHE A 33 0.678 12.269 -1.470 1.00 0.00 H new ATOM 456 N LEU A 34 4.378 6.351 -3.164 1.00 0.00 N ATOM 457 CA LEU A 34 5.429 6.203 -2.117 1.00 0.00 C ATOM 458 C LEU A 34 6.701 6.879 -2.621 1.00 0.00 C ATOM 459 O LEU A 34 7.401 7.542 -1.882 1.00 0.00 O ATOM 460 CB LEU A 34 5.727 4.719 -1.862 1.00 0.00 C ATOM 461 CG LEU A 34 4.549 4.017 -1.155 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.782 2.486 -1.163 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.427 4.512 0.297 1.00 0.00 C ATOM 0 H LEU A 34 4.002 5.479 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 34 5.083 6.658 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.933 4.221 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.625 4.627 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 34 3.626 4.251 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.950 1.989 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.850 2.134 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.710 2.256 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.592 4.009 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.348 4.290 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.254 5.588 0.301 1.00 0.00 H new ATOM 475 N LYS A 35 6.999 6.722 -3.881 1.00 0.00 N ATOM 476 CA LYS A 35 8.222 7.363 -4.439 1.00 0.00 C ATOM 477 C LYS A 35 8.110 8.879 -4.254 1.00 0.01 C ATOM 478 O LYS A 35 9.085 9.556 -4.000 1.00 0.00 O ATOM 479 CB LYS A 35 8.338 7.033 -5.927 1.00 0.00 C ATOM 480 CG LYS A 35 8.584 5.533 -6.097 1.00 0.00 C ATOM 481 CD LYS A 35 8.701 5.201 -7.584 1.00 0.00 C ATOM 482 CE LYS A 35 8.946 3.701 -7.752 1.00 0.00 C ATOM 483 NZ LYS A 35 7.756 2.948 -7.262 1.00 0.01 N ATOM 0 H LYS A 35 6.450 6.179 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 35 9.107 6.991 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.426 7.324 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.155 7.600 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.496 5.242 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.767 4.967 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.789 5.492 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.519 5.766 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.132 3.467 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.834 3.402 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.013 2.409 -6.410 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 6.993 3.616 -7.032 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.431 2.293 -8.002 1.00 0.01 H new ATOM 497 N SER A 36 6.922 9.415 -4.373 1.00 0.00 N ATOM 498 CA SER A 36 6.744 10.886 -4.194 1.00 0.00 C ATOM 499 C SER A 36 7.193 11.278 -2.787 1.00 0.00 C ATOM 500 O SER A 36 7.807 12.306 -2.583 1.00 0.00 O ATOM 501 CB SER A 36 5.275 11.266 -4.389 1.00 0.00 C ATOM 502 OG SER A 36 4.870 10.912 -5.703 1.00 0.00 O ATOM 0 H SER A 36 6.069 8.898 -4.586 1.00 0.00 H new ATOM 0 HA SER A 36 7.345 11.414 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.654 10.754 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.140 12.336 -4.230 1.00 0.00 H new ATOM 0 HG SER A 36 3.929 11.152 -5.831 1.00 0.00 H new ATOM 508 N GLU A 37 6.897 10.460 -1.810 1.00 0.00 N ATOM 509 CA GLU A 37 7.308 10.773 -0.407 1.00 0.00 C ATOM 510 C GLU A 37 8.570 9.973 -0.083 1.00 0.00 C ATOM 511 O GLU A 37 9.008 9.915 1.049 1.00 0.00 O ATOM 512 CB GLU A 37 6.193 10.364 0.560 1.00 0.00 C ATOM 513 CG GLU A 37 4.986 11.284 0.376 1.00 0.00 C ATOM 514 CD GLU A 37 3.876 10.870 1.345 1.00 0.01 C ATOM 515 OE1 GLU A 37 4.010 9.822 1.956 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.914 11.610 1.463 1.00 0.00 O ATOM 0 H GLU A 37 6.386 9.585 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 37 7.498 11.842 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.904 9.329 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.551 10.420 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.274 12.320 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.626 11.228 -0.651 1.00 0.00 H new ATOM 523 N TYR A 38 9.154 9.364 -1.080 1.00 0.00 N ATOM 524 CA TYR A 38 10.397 8.569 -0.866 1.00 0.00 C ATOM 525 C TYR A 38 10.152 7.504 0.198 1.00 0.00 C ATOM 526 O TYR A 38 11.045 7.122 0.928 1.00 0.00 O ATOM 527 CB TYR A 38 11.530 9.496 -0.433 1.00 0.00 C ATOM 528 CG TYR A 38 11.761 10.523 -1.517 1.00 0.00 C ATOM 529 CD1 TYR A 38 12.239 10.119 -2.768 1.00 0.00 C ATOM 530 CD2 TYR A 38 11.493 11.877 -1.274 1.00 0.00 C ATOM 531 CE1 TYR A 38 12.449 11.064 -3.777 1.00 0.00 C ATOM 532 CE2 TYR A 38 11.702 12.823 -2.284 1.00 0.00 C ATOM 533 CZ TYR A 38 12.180 12.417 -3.535 1.00 0.01 C ATOM 534 OH TYR A 38 12.386 13.349 -4.530 1.00 0.00 O ATOM 0 H TYR A 38 8.819 9.384 -2.043 1.00 0.00 H new ATOM 0 HA TYR A 38 10.677 8.077 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.276 9.989 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.440 8.923 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.446 9.076 -2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.125 12.190 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.818 10.751 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.494 13.866 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 38 12.149 14.240 -4.198 1.00 0.00 H new ATOM 544 N SER A 39 8.948 7.013 0.279 1.00 0.00 N ATOM 545 CA SER A 39 8.619 5.957 1.279 1.00 0.00 C ATOM 546 C SER A 39 8.607 4.601 0.567 1.00 0.00 C ATOM 547 O SER A 39 7.967 3.664 1.000 1.00 0.00 O ATOM 548 CB SER A 39 7.246 6.245 1.886 1.00 0.00 C ATOM 549 OG SER A 39 7.369 7.287 2.845 1.00 0.00 O ATOM 0 H SER A 39 8.168 7.301 -0.312 1.00 0.00 H new ATOM 0 HA SER A 39 9.360 5.945 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.543 6.534 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.847 5.346 2.357 1.00 0.00 H new ATOM 0 HG SER A 39 6.491 7.477 3.236 1.00 0.00 H new ATOM 555 N GLU A 40 9.312 4.499 -0.531 1.00 0.00 N ATOM 556 CA GLU A 40 9.348 3.213 -1.286 1.00 0.00 C ATOM 557 C GLU A 40 10.001 2.142 -0.418 1.00 0.00 C ATOM 558 O GLU A 40 9.788 0.961 -0.594 1.00 0.00 O ATOM 559 CB GLU A 40 10.166 3.398 -2.566 1.00 0.00 C ATOM 560 CG GLU A 40 11.621 3.707 -2.204 1.00 0.00 C ATOM 561 CD GLU A 40 12.377 4.148 -3.457 1.00 0.00 C ATOM 562 OE1 GLU A 40 12.275 3.460 -4.460 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.045 5.167 -3.394 1.00 0.00 O ATOM 0 H GLU A 40 9.865 5.254 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 40 8.333 2.909 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.116 2.496 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.749 4.209 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.660 4.492 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.094 2.825 -1.773 1.00 0.00 H new ATOM 570 N GLU A 41 10.792 2.542 0.528 1.00 0.00 N ATOM 571 CA GLU A 41 11.437 1.541 1.409 1.00 0.00 C ATOM 572 C GLU A 41 10.344 0.798 2.178 1.00 0.00 C ATOM 573 O GLU A 41 10.470 -0.369 2.489 1.00 0.00 O ATOM 574 CB GLU A 41 12.374 2.253 2.385 1.00 0.00 C ATOM 575 CG GLU A 41 11.621 3.393 3.074 1.00 0.00 C ATOM 576 CD GLU A 41 12.561 4.103 4.048 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.634 3.576 4.291 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.192 5.158 4.534 1.00 0.00 O ATOM 0 H GLU A 41 11.020 3.516 0.730 1.00 0.00 H new ATOM 0 HA GLU A 41 12.018 0.833 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.747 1.548 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.241 2.645 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.247 4.098 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.754 3.002 3.607 1.00 0.00 H new ATOM 585 N ASN A 42 9.268 1.475 2.485 1.00 0.00 N ATOM 586 CA ASN A 42 8.158 0.821 3.234 1.00 0.00 C ATOM 587 C ASN A 42 7.599 -0.363 2.438 1.00 0.00 C ATOM 588 O ASN A 42 7.387 -1.430 2.978 1.00 0.00 O ATOM 589 CB ASN A 42 7.035 1.833 3.475 1.00 0.00 C ATOM 590 CG ASN A 42 7.500 2.876 4.492 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.387 2.619 5.280 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.934 4.050 4.507 1.00 0.00 N ATOM 0 H ASN A 42 9.111 2.455 2.248 1.00 0.00 H new ATOM 0 HA ASN A 42 8.547 0.461 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.761 2.319 2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.144 1.323 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.236 4.753 5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.189 4.265 3.845 1.00 0.00 H new ATOM 599 N ILE A 43 7.342 -0.193 1.163 1.00 0.00 N ATOM 600 CA ILE A 43 6.782 -1.333 0.381 1.00 0.00 C ATOM 601 C ILE A 43 7.860 -2.409 0.214 1.00 0.00 C ATOM 602 O ILE A 43 7.588 -3.587 0.331 1.00 0.00 O ATOM 603 CB ILE A 43 6.238 -0.844 -0.985 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.528 -2.001 -1.728 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.359 -0.279 -1.865 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.089 -2.185 -1.215 1.00 0.00 C ATOM 0 H ILE A 43 7.493 0.670 0.641 1.00 0.00 H new ATOM 0 HA ILE A 43 5.941 -1.769 0.920 1.00 0.00 H new ATOM 0 HB ILE A 43 5.522 -0.046 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.513 -1.795 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.088 -2.925 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.942 0.055 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.829 0.564 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.104 -1.054 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.613 -3.004 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.109 -2.414 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.524 -1.267 -1.378 1.00 0.00 H new ATOM 618 N ASP A 44 9.088 -2.031 -0.026 1.00 0.00 N ATOM 619 CA ASP A 44 10.151 -3.061 -0.156 1.00 0.00 C ATOM 620 C ASP A 44 10.281 -3.758 1.195 1.00 0.00 C ATOM 621 O ASP A 44 10.381 -4.966 1.286 1.00 0.00 O ATOM 622 CB ASP A 44 11.479 -2.395 -0.519 1.00 0.00 C ATOM 623 CG ASP A 44 11.413 -1.867 -1.954 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.609 -2.378 -2.717 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.167 -0.960 -2.266 1.00 0.00 O ATOM 0 H ASP A 44 9.395 -1.065 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 44 9.898 -3.776 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.688 -1.577 0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.295 -3.111 -0.421 1.00 0.00 H new ATOM 630 N PHE A 45 10.245 -2.989 2.247 1.00 0.00 N ATOM 631 CA PHE A 45 10.329 -3.567 3.614 1.00 0.00 C ATOM 632 C PHE A 45 9.110 -4.464 3.840 1.00 0.00 C ATOM 633 O PHE A 45 9.221 -5.577 4.315 1.00 0.00 O ATOM 634 CB PHE A 45 10.345 -2.415 4.625 1.00 0.00 C ATOM 635 CG PHE A 45 10.347 -2.944 6.038 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.561 -3.197 6.690 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.137 -3.168 6.701 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.561 -3.676 8.006 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.136 -3.644 8.018 1.00 0.00 C ATOM 640 CZ PHE A 45 10.349 -3.899 8.669 1.00 0.00 C ATOM 0 H PHE A 45 10.160 -1.973 2.216 1.00 0.00 H new ATOM 0 HA PHE A 45 11.234 -4.162 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.226 -1.795 4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.474 -1.778 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.496 -3.023 6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.202 -2.974 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.496 -3.873 8.509 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.201 -3.814 8.531 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.349 -4.268 9.684 1.00 0.00 H new ATOM 650 N TRP A 46 7.950 -3.980 3.490 1.00 0.00 N ATOM 651 CA TRP A 46 6.709 -4.786 3.661 1.00 0.00 C ATOM 652 C TRP A 46 6.818 -6.080 2.848 1.00 0.00 C ATOM 653 O TRP A 46 6.439 -7.140 3.302 1.00 0.00 O ATOM 654 CB TRP A 46 5.515 -3.967 3.166 1.00 0.00 C ATOM 655 CG TRP A 46 4.251 -4.747 3.323 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.672 -5.068 4.504 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.392 -5.297 2.284 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.513 -5.782 4.253 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.298 -5.949 2.900 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.457 -5.294 0.879 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.302 -6.576 2.147 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.457 -5.922 0.119 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.381 -6.561 0.752 1.00 0.00 C ATOM 0 H TRP A 46 7.808 -3.053 3.090 1.00 0.00 H new ATOM 0 HA TRP A 46 6.574 -5.038 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.447 -3.035 3.727 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.658 -3.700 2.119 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.052 -4.809 5.481 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.893 -6.141 4.979 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.282 -4.805 0.381 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.477 -7.069 2.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.517 -5.913 -0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.614 -7.041 0.162 1.00 0.00 H new ATOM 674 N ILE A 47 7.334 -6.005 1.648 1.00 0.00 N ATOM 675 CA ILE A 47 7.461 -7.236 0.813 1.00 0.00 C ATOM 676 C ILE A 47 8.452 -8.192 1.477 1.00 0.00 C ATOM 677 O ILE A 47 8.238 -9.387 1.522 1.00 0.00 O ATOM 678 CB ILE A 47 7.952 -6.859 -0.589 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.839 -6.112 -1.325 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.312 -8.124 -1.372 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.408 -5.448 -2.578 1.00 0.00 C ATOM 0 H ILE A 47 7.672 -5.147 1.212 1.00 0.00 H new ATOM 0 HA ILE A 47 6.491 -7.725 0.726 1.00 0.00 H new ATOM 0 HB ILE A 47 8.835 -6.225 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.042 -6.804 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.398 -5.360 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.660 -7.849 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.101 -8.664 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.432 -8.761 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.613 -4.916 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.190 -4.744 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.828 -6.210 -3.235 1.00 0.00 H new ATOM 693 N SER A 48 9.521 -7.679 2.017 1.00 0.00 N ATOM 694 CA SER A 48 10.493 -8.573 2.699 1.00 0.00 C ATOM 695 C SER A 48 9.805 -9.137 3.938 1.00 0.00 C ATOM 696 O SER A 48 9.955 -10.293 4.282 1.00 0.00 O ATOM 697 CB SER A 48 11.732 -7.774 3.114 1.00 0.00 C ATOM 698 OG SER A 48 11.347 -6.751 4.023 1.00 0.00 O ATOM 0 H SER A 48 9.762 -6.688 2.016 1.00 0.00 H new ATOM 0 HA SER A 48 10.809 -9.376 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.465 -8.433 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.208 -7.337 2.236 1.00 0.00 H new ATOM 0 HG SER A 48 10.458 -6.417 3.782 1.00 0.00 H new ATOM 704 N CYS A 49 9.037 -8.315 4.600 1.00 0.00 N ATOM 705 CA CYS A 49 8.309 -8.772 5.813 1.00 0.00 C ATOM 706 C CYS A 49 7.244 -9.799 5.418 1.00 0.00 C ATOM 707 O CYS A 49 6.994 -10.749 6.130 1.00 0.01 O ATOM 708 CB CYS A 49 7.651 -7.568 6.483 1.00 0.00 C ATOM 709 SG CYS A 49 8.928 -6.363 6.919 1.00 0.01 S ATOM 0 H CYS A 49 8.883 -7.339 4.348 1.00 0.00 H new ATOM 0 HA CYS A 49 9.007 -9.238 6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.921 -7.116 5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.111 -7.883 7.376 1.00 0.00 H new ATOM 0 HG CYS A 49 8.385 -5.192 7.075 1.00 0.01 H new ATOM 715 N GLU A 50 6.616 -9.630 4.285 1.00 0.00 N ATOM 716 CA GLU A 50 5.585 -10.625 3.868 1.00 0.00 C ATOM 717 C GLU A 50 6.260 -11.990 3.756 1.00 0.01 C ATOM 718 O GLU A 50 5.727 -12.996 4.173 1.00 0.00 O ATOM 719 CB GLU A 50 4.995 -10.232 2.510 1.00 0.01 C ATOM 720 CG GLU A 50 3.959 -9.120 2.693 1.00 0.00 C ATOM 721 CD GLU A 50 3.476 -8.649 1.321 1.00 0.01 C ATOM 722 OE1 GLU A 50 4.149 -7.819 0.733 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.444 -9.128 0.881 1.00 0.00 O ATOM 0 H GLU A 50 6.769 -8.857 3.637 1.00 0.00 H new ATOM 0 HA GLU A 50 4.779 -10.657 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.789 -9.895 1.843 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.531 -11.099 2.041 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.117 -9.485 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.396 -8.287 3.243 1.00 0.00 H new ATOM 730 N GLU A 51 7.446 -12.019 3.217 1.00 0.01 N ATOM 731 CA GLU A 51 8.181 -13.303 3.096 1.00 0.00 C ATOM 732 C GLU A 51 8.380 -13.862 4.505 1.00 0.01 C ATOM 733 O GLU A 51 8.265 -15.047 4.749 1.00 0.00 O ATOM 734 CB GLU A 51 9.538 -13.046 2.432 1.00 0.00 C ATOM 735 CG GLU A 51 9.318 -12.656 0.968 1.00 0.00 C ATOM 736 CD GLU A 51 10.667 -12.396 0.293 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.660 -12.341 1.001 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.685 -12.253 -0.918 1.00 0.00 O ATOM 0 H GLU A 51 7.939 -11.203 2.854 1.00 0.01 H new ATOM 0 HA GLU A 51 7.625 -14.016 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.068 -12.251 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.161 -13.938 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.787 -13.452 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.694 -11.764 0.909 1.00 0.00 H new ATOM 745 N TYR A 52 8.675 -12.992 5.429 1.00 0.00 N ATOM 746 CA TYR A 52 8.887 -13.411 6.842 1.00 0.01 C ATOM 747 C TYR A 52 7.606 -14.067 7.381 1.00 0.01 C ATOM 748 O TYR A 52 7.655 -15.052 8.092 1.00 0.01 O ATOM 749 CB TYR A 52 9.221 -12.162 7.662 1.00 0.00 C ATOM 750 CG TYR A 52 9.829 -12.549 8.983 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.007 -12.788 10.086 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.218 -12.653 9.108 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.572 -13.133 11.316 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.786 -12.998 10.336 1.00 0.00 C ATOM 755 CZ TYR A 52 10.964 -13.240 11.442 1.00 0.01 C ATOM 756 OH TYR A 52 11.523 -13.582 12.656 1.00 0.01 O ATOM 0 H TYR A 52 8.780 -11.991 5.262 1.00 0.00 H new ATOM 0 HA TYR A 52 9.702 -14.132 6.909 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.914 -11.529 7.107 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.317 -11.576 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.935 -12.706 9.988 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.852 -12.466 8.254 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.937 -13.317 12.170 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.859 -13.078 10.432 1.00 0.00 H new ATOM 0 HH TYR A 52 10.824 -13.610 13.342 1.00 0.01 H new ATOM 766 N LYS A 53 6.460 -13.529 7.044 1.00 0.01 N ATOM 767 CA LYS A 53 5.177 -14.122 7.534 1.00 0.01 C ATOM 768 C LYS A 53 4.925 -15.471 6.853 1.00 0.01 C ATOM 769 O LYS A 53 4.120 -16.260 7.307 1.00 0.01 O ATOM 770 CB LYS A 53 4.007 -13.177 7.222 1.00 0.01 C ATOM 771 CG LYS A 53 3.986 -12.018 8.223 1.00 0.00 C ATOM 772 CD LYS A 53 2.806 -11.092 7.901 1.00 0.00 C ATOM 773 CE LYS A 53 2.511 -10.193 9.106 1.00 0.01 C ATOM 774 NZ LYS A 53 1.435 -9.224 8.755 1.00 0.00 N ATOM 0 H LYS A 53 6.357 -12.705 6.451 1.00 0.01 H new ATOM 0 HA LYS A 53 5.253 -14.267 8.612 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.102 -12.790 6.207 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.065 -13.724 7.267 1.00 0.01 H new ATOM 0 HG2 LYS A 53 3.895 -12.402 9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.923 -11.463 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.038 -10.482 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.925 -11.683 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.204 -10.799 9.958 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.413 -9.658 9.403 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 1.118 -8.731 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.802 -8.530 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.633 -9.734 8.332 1.00 0.00 H new ATOM 788 N LYS A 54 5.591 -15.743 5.763 1.00 0.00 N ATOM 789 CA LYS A 54 5.363 -17.042 5.063 1.00 0.01 C ATOM 790 C LYS A 54 6.226 -18.121 5.712 1.00 0.01 C ATOM 791 O LYS A 54 5.800 -19.244 5.896 1.00 0.01 O ATOM 792 CB LYS A 54 5.755 -16.904 3.587 1.00 0.01 C ATOM 793 CG LYS A 54 4.784 -15.956 2.877 1.00 0.01 C ATOM 794 CD LYS A 54 5.183 -15.825 1.404 1.00 0.00 C ATOM 795 CE LYS A 54 4.225 -14.865 0.696 1.00 0.01 C ATOM 796 NZ LYS A 54 2.824 -15.343 0.862 1.00 0.01 N ATOM 0 H LYS A 54 6.279 -15.127 5.329 1.00 0.00 H new ATOM 0 HA LYS A 54 4.311 -17.316 5.137 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.773 -16.523 3.506 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.741 -17.881 3.105 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.765 -16.335 2.956 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.798 -14.977 3.357 1.00 0.01 H new ATOM 0 HD2 LYS A 54 6.206 -15.458 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.157 -16.802 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.329 -13.862 1.109 1.00 0.01 H new ATOM 0 HE3 LYS A 54 4.475 -14.801 -0.363 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.222 -14.915 0.130 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 2.797 -16.379 0.770 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 2.473 -15.070 1.802 1.00 0.01 H new ATOM 810 N ILE A 55 7.434 -17.790 6.068 1.00 0.01 N ATOM 811 CA ILE A 55 8.322 -18.797 6.713 1.00 0.01 C ATOM 812 C ILE A 55 7.827 -19.079 8.133 1.00 0.00 C ATOM 813 O ILE A 55 7.784 -18.201 8.972 1.00 0.01 O ATOM 814 CB ILE A 55 9.746 -18.247 6.765 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.249 -18.026 5.337 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.657 -19.252 7.475 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.545 -17.216 5.364 1.00 0.01 C ATOM 0 H ILE A 55 7.846 -16.866 5.941 1.00 0.01 H new ATOM 0 HA ILE A 55 8.308 -19.723 6.138 1.00 0.01 H new ATOM 0 HB ILE A 55 9.755 -17.303 7.310 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.419 -18.986 4.849 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.493 -17.501 4.753 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.673 -18.859 7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.295 -19.418 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.652 -20.196 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.899 -17.062 4.345 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.361 -16.250 5.834 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.301 -17.758 5.932 1.00 0.01 H new ATOM 829 N LYS A 56 7.451 -20.302 8.409 1.00 0.01 N ATOM 830 CA LYS A 56 6.955 -20.659 9.774 1.00 0.01 C ATOM 831 C LYS A 56 8.066 -21.357 10.558 1.00 0.01 C ATOM 832 O LYS A 56 7.879 -21.757 11.688 1.00 0.01 O ATOM 833 CB LYS A 56 5.760 -21.598 9.647 1.00 0.01 C ATOM 834 CG LYS A 56 4.578 -20.827 9.058 1.00 0.01 C ATOM 835 CD LYS A 56 3.372 -21.758 8.924 1.00 0.00 C ATOM 836 CE LYS A 56 2.194 -20.980 8.337 1.00 0.00 C ATOM 837 NZ LYS A 56 2.591 -20.405 7.020 1.00 0.00 N ATOM 0 H LYS A 56 7.466 -21.074 7.743 1.00 0.01 H new ATOM 0 HA LYS A 56 6.656 -19.752 10.299 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.013 -22.444 9.008 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.495 -22.004 10.623 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.328 -19.981 9.698 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.846 -20.420 8.083 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.620 -22.603 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.103 -22.166 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.333 -21.638 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.893 -20.184 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.739 -20.177 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.147 -19.539 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.165 -21.097 6.498 1.00 0.00 H new ATOM 851 N SER A 57 9.218 -21.512 9.964 1.00 0.00 N ATOM 852 CA SER A 57 10.349 -22.187 10.670 1.00 0.01 C ATOM 853 C SER A 57 11.209 -21.116 11.373 1.00 0.01 C ATOM 854 O SER A 57 11.850 -20.335 10.702 1.00 0.00 O ATOM 855 CB SER A 57 11.214 -22.907 9.636 1.00 0.01 C ATOM 856 OG SER A 57 10.484 -23.996 9.088 1.00 0.01 O ATOM 0 H SER A 57 9.427 -21.199 9.016 1.00 0.00 H new ATOM 0 HA SER A 57 9.963 -22.898 11.401 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.506 -22.216 8.845 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.132 -23.267 10.100 1.00 0.01 H new ATOM 0 HG SER A 57 11.036 -24.458 8.423 1.00 0.01 H new ATOM 862 N PRO A 58 11.241 -21.046 12.697 1.00 0.00 N ATOM 863 CA PRO A 58 12.062 -19.998 13.371 1.00 0.01 C ATOM 864 C PRO A 58 13.567 -20.235 13.182 1.00 0.00 C ATOM 865 O PRO A 58 14.388 -19.480 13.667 1.00 0.00 O ATOM 866 CB PRO A 58 11.644 -20.136 14.849 1.00 0.01 C ATOM 867 CG PRO A 58 10.832 -21.436 15.004 1.00 0.01 C ATOM 868 CD PRO A 58 10.495 -21.973 13.600 1.00 0.01 C ATOM 0 HA PRO A 58 11.894 -19.000 12.966 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.524 -20.159 15.492 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.048 -19.277 15.156 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.404 -22.175 15.565 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.918 -21.247 15.567 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.819 -23.006 13.475 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.423 -21.950 13.406 1.00 0.01 H new ATOM 876 N SER A 59 13.932 -21.275 12.486 1.00 0.01 N ATOM 877 CA SER A 59 15.381 -21.561 12.269 1.00 0.01 C ATOM 878 C SER A 59 15.873 -20.818 11.026 1.00 0.01 C ATOM 879 O SER A 59 17.036 -20.482 10.915 1.00 0.01 O ATOM 880 CB SER A 59 15.576 -23.065 12.071 1.00 0.01 C ATOM 881 OG SER A 59 15.274 -23.741 13.285 1.00 0.01 O ATOM 0 H SER A 59 13.290 -21.941 12.057 1.00 0.01 H new ATOM 0 HA SER A 59 15.949 -21.228 13.137 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.930 -23.425 11.270 1.00 0.01 H new ATOM 0 HB3 SER A 59 16.603 -23.274 11.770 1.00 0.01 H new ATOM 0 HG SER A 59 15.396 -24.705 13.161 1.00 0.01 H new ATOM 887 N LYS A 60 15.004 -20.567 10.082 1.00 0.00 N ATOM 888 CA LYS A 60 15.433 -19.856 8.839 1.00 0.00 C ATOM 889 C LYS A 60 15.196 -18.351 8.979 1.00 0.01 C ATOM 890 O LYS A 60 15.735 -17.560 8.232 1.00 0.01 O ATOM 891 CB LYS A 60 14.617 -20.378 7.659 1.00 0.01 C ATOM 892 CG LYS A 60 14.949 -21.851 7.426 1.00 0.01 C ATOM 893 CD LYS A 60 14.133 -22.378 6.246 1.00 0.01 C ATOM 894 CE LYS A 60 14.467 -23.852 6.015 1.00 0.01 C ATOM 895 NZ LYS A 60 14.064 -24.643 7.213 1.00 0.01 N ATOM 0 H LYS A 60 14.017 -20.823 10.117 1.00 0.00 H new ATOM 0 HA LYS A 60 16.495 -20.037 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.552 -20.261 7.859 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.839 -19.797 6.764 1.00 0.01 H new ATOM 0 HG2 LYS A 60 16.014 -21.967 7.226 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.728 -22.431 8.322 1.00 0.01 H new ATOM 0 HD2 LYS A 60 13.068 -22.262 6.446 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.354 -21.799 5.349 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.947 -24.220 5.130 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.535 -23.970 5.830 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.967 -25.645 6.951 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.789 -24.547 7.952 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.154 -24.290 7.572 1.00 0.01 H new ATOM 909 N LEU A 61 14.393 -17.944 9.921 1.00 0.01 N ATOM 910 CA LEU A 61 14.127 -16.486 10.087 1.00 0.01 C ATOM 911 C LEU A 61 15.436 -15.753 10.398 1.00 0.01 C ATOM 912 O LEU A 61 15.675 -14.665 9.914 1.00 0.01 O ATOM 913 CB LEU A 61 13.132 -16.265 11.232 1.00 0.01 C ATOM 914 CG LEU A 61 11.805 -16.981 10.931 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.813 -16.739 12.081 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.202 -16.470 9.605 1.00 0.01 C ATOM 0 H LEU A 61 13.911 -18.554 10.581 1.00 0.01 H new ATOM 0 HA LEU A 61 13.704 -16.094 9.162 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.552 -16.640 12.165 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.955 -15.198 11.368 1.00 0.01 H new ATOM 0 HG LEU A 61 11.998 -18.050 10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.874 -17.248 11.864 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.231 -17.128 13.010 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.631 -15.669 12.185 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.263 -16.988 9.409 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.016 -15.398 9.679 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.900 -16.662 8.790 1.00 0.01 H new ATOM 928 N SER A 62 16.283 -16.328 11.205 1.00 0.00 N ATOM 929 CA SER A 62 17.565 -15.645 11.545 1.00 0.01 C ATOM 930 C SER A 62 18.261 -15.140 10.263 1.00 0.01 C ATOM 931 O SER A 62 18.404 -13.947 10.081 1.00 0.01 O ATOM 932 CB SER A 62 18.471 -16.609 12.328 1.00 0.01 C ATOM 933 OG SER A 62 18.339 -16.337 13.717 1.00 0.01 O ATOM 0 H SER A 62 16.145 -17.239 11.643 1.00 0.00 H new ATOM 0 HA SER A 62 17.358 -14.778 12.173 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.194 -17.642 12.118 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.509 -16.488 12.017 1.00 0.01 H new ATOM 0 HG SER A 62 18.324 -17.181 14.216 1.00 0.01 H new ATOM 939 N PRO A 63 18.688 -16.013 9.373 1.00 0.00 N ATOM 940 CA PRO A 63 19.357 -15.562 8.123 1.00 0.00 C ATOM 941 C PRO A 63 18.709 -14.308 7.507 1.00 0.01 C ATOM 942 O PRO A 63 19.359 -13.301 7.309 1.00 0.00 O ATOM 943 CB PRO A 63 19.195 -16.790 7.209 1.00 0.01 C ATOM 944 CG PRO A 63 18.793 -17.994 8.089 1.00 0.01 C ATOM 945 CD PRO A 63 18.554 -17.489 9.528 1.00 0.01 C ATOM 0 HA PRO A 63 20.391 -15.258 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.435 -16.602 6.451 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.126 -16.998 6.682 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.891 -18.465 7.698 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.578 -18.750 8.078 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.569 -17.771 9.900 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.286 -17.893 10.227 1.00 0.01 H new ATOM 953 N LYS A 64 17.444 -14.367 7.186 1.00 0.01 N ATOM 954 CA LYS A 64 16.781 -13.183 6.567 1.00 0.01 C ATOM 955 C LYS A 64 16.535 -12.088 7.610 1.00 0.00 C ATOM 956 O LYS A 64 16.559 -10.915 7.297 1.00 0.00 O ATOM 957 CB LYS A 64 15.448 -13.603 5.941 1.00 0.00 C ATOM 958 CG LYS A 64 14.460 -14.007 7.035 1.00 0.01 C ATOM 959 CD LYS A 64 13.227 -14.651 6.393 1.00 0.01 C ATOM 960 CE LYS A 64 12.546 -13.656 5.434 1.00 0.01 C ATOM 961 NZ LYS A 64 13.105 -13.828 4.064 1.00 0.00 N ATOM 0 H LYS A 64 16.844 -15.180 7.325 1.00 0.01 H new ATOM 0 HA LYS A 64 17.440 -12.786 5.795 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.037 -12.781 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.605 -14.436 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.931 -14.706 7.726 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.167 -13.133 7.616 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.518 -15.550 5.849 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.525 -14.960 7.167 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.469 -13.824 5.423 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.706 -12.634 5.778 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.585 -12.952 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.787 -14.613 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.334 -14.039 3.398 1.00 0.00 H new ATOM 975 N ALA A 65 16.297 -12.444 8.843 1.00 0.00 N ATOM 976 CA ALA A 65 16.053 -11.391 9.870 1.00 0.01 C ATOM 977 C ALA A 65 17.274 -10.477 9.943 1.00 0.01 C ATOM 978 O ALA A 65 17.161 -9.268 9.913 1.00 0.01 O ATOM 979 CB ALA A 65 15.820 -12.036 11.238 1.00 0.01 C ATOM 0 H ALA A 65 16.261 -13.406 9.181 1.00 0.00 H new ATOM 0 HA ALA A 65 15.170 -10.815 9.595 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.643 -11.259 11.981 1.00 0.01 H new ATOM 0 HB2 ALA A 65 14.952 -12.694 11.187 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.699 -12.615 11.521 1.00 0.01 H new ATOM 985 N LYS A 66 18.441 -11.047 10.038 1.00 0.01 N ATOM 986 CA LYS A 66 19.670 -10.216 10.114 1.00 0.00 C ATOM 987 C LYS A 66 19.824 -9.399 8.828 1.00 0.01 C ATOM 988 O LYS A 66 20.191 -8.241 8.860 1.00 0.01 O ATOM 989 CB LYS A 66 20.882 -11.130 10.279 1.00 0.01 C ATOM 990 CG LYS A 66 20.776 -11.885 11.604 1.00 0.01 C ATOM 991 CD LYS A 66 21.991 -12.802 11.766 1.00 0.01 C ATOM 992 CE LYS A 66 21.886 -13.557 13.092 1.00 0.00 C ATOM 993 NZ LYS A 66 22.899 -14.648 13.123 1.00 0.00 N ATOM 0 H LYS A 66 18.596 -12.055 10.066 1.00 0.01 H new ATOM 0 HA LYS A 66 19.597 -9.538 10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.934 -11.835 9.450 1.00 0.01 H new ATOM 0 HB3 LYS A 66 21.800 -10.542 10.256 1.00 0.01 H new ATOM 0 HG2 LYS A 66 20.726 -11.180 12.434 1.00 0.01 H new ATOM 0 HG3 LYS A 66 19.858 -12.472 11.628 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.041 -13.507 10.936 1.00 0.01 H new ATOM 0 HD3 LYS A 66 22.909 -12.215 11.741 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.046 -12.873 13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.885 -13.972 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.828 -15.162 14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.726 -15.305 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 23.851 -14.240 13.031 1.00 0.00 H new ATOM 1007 N LYS A 67 19.552 -9.991 7.697 1.00 0.00 N ATOM 1008 CA LYS A 67 19.693 -9.239 6.417 1.00 0.00 C ATOM 1009 C LYS A 67 18.709 -8.072 6.398 1.00 0.01 C ATOM 1010 O LYS A 67 19.079 -6.937 6.172 1.00 0.01 O ATOM 1011 CB LYS A 67 19.381 -10.167 5.246 1.00 0.00 C ATOM 1012 CG LYS A 67 20.495 -11.204 5.101 1.00 0.01 C ATOM 1013 CD LYS A 67 20.159 -12.167 3.955 1.00 0.00 C ATOM 1014 CE LYS A 67 20.192 -11.428 2.611 1.00 0.00 C ATOM 1015 NZ LYS A 67 20.409 -12.411 1.513 1.00 0.01 N ATOM 0 H LYS A 67 19.240 -10.958 7.603 1.00 0.00 H new ATOM 0 HA LYS A 67 20.713 -8.863 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.425 -10.666 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.286 -9.589 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.445 -10.707 4.904 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.612 -11.758 6.032 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.873 -12.991 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.172 -12.602 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.256 -10.892 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.989 -10.684 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.432 -11.913 0.600 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 21.313 -12.903 1.661 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 19.634 -13.104 1.510 1.00 0.01 H new ATOM 1029 N ILE A 68 17.457 -8.342 6.641 1.00 0.01 N ATOM 1030 CA ILE A 68 16.452 -7.247 6.645 1.00 0.00 C ATOM 1031 C ILE A 68 16.824 -6.243 7.732 1.00 0.01 C ATOM 1032 O ILE A 68 16.865 -5.049 7.505 1.00 0.00 O ATOM 1033 CB ILE A 68 15.063 -7.824 6.926 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.702 -8.834 5.832 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.032 -6.691 6.937 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.438 -9.596 6.233 1.00 0.00 C ATOM 0 H ILE A 68 17.088 -9.273 6.837 1.00 0.01 H new ATOM 0 HA ILE A 68 16.439 -6.752 5.674 1.00 0.00 H new ATOM 0 HB ILE A 68 15.064 -8.322 7.896 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.543 -8.318 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.526 -9.531 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.042 -7.102 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.290 -5.972 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.029 -6.193 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.183 -10.314 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.614 -10.125 7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.615 -8.893 6.362 1.00 0.00 H new ATOM 1048 N TYR A 69 17.098 -6.723 8.915 1.00 0.00 N ATOM 1049 CA TYR A 69 17.468 -5.801 10.020 1.00 0.01 C ATOM 1050 C TYR A 69 18.726 -5.018 9.649 1.00 0.00 C ATOM 1051 O TYR A 69 18.783 -3.810 9.766 1.00 0.01 O ATOM 1052 CB TYR A 69 17.759 -6.608 11.282 1.00 0.01 C ATOM 1053 CG TYR A 69 18.230 -5.675 12.376 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.594 -5.398 12.518 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.303 -5.084 13.239 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.032 -4.529 13.525 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.740 -4.215 14.247 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.103 -3.939 14.391 1.00 0.01 C ATOM 1059 OH TYR A 69 19.535 -3.081 15.381 1.00 0.01 O ATOM 0 H TYR A 69 17.081 -7.713 9.161 1.00 0.00 H new ATOM 0 HA TYR A 69 16.641 -5.113 10.192 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.863 -7.139 11.602 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.520 -7.361 11.078 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.310 -5.855 11.850 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.250 -5.297 13.129 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.085 -4.314 13.634 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.024 -3.758 14.913 1.00 0.01 H new ATOM 0 HH TYR A 69 18.772 -2.577 15.733 1.00 0.01 H new ATOM 1069 N ASN A 70 19.737 -5.706 9.213 1.00 0.01 N ATOM 1070 CA ASN A 70 21.005 -5.025 8.842 1.00 0.00 C ATOM 1071 C ASN A 70 20.743 -4.069 7.682 1.00 0.00 C ATOM 1072 O ASN A 70 21.360 -3.031 7.563 1.00 0.01 O ATOM 1073 CB ASN A 70 22.033 -6.074 8.418 1.00 0.00 C ATOM 1074 CG ASN A 70 22.472 -6.882 9.642 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.385 -6.410 10.759 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.941 -8.088 9.479 1.00 0.01 N ATOM 0 H ASN A 70 19.741 -6.719 9.096 1.00 0.01 H new ATOM 0 HA ASN A 70 21.387 -4.464 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.604 -6.737 7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.895 -5.589 7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.235 -8.635 10.288 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.014 -8.484 8.542 1.00 0.01 H new ATOM 1083 N GLU A 71 19.857 -4.435 6.807 1.00 0.00 N ATOM 1084 CA GLU A 71 19.567 -3.577 5.625 1.00 0.00 C ATOM 1085 C GLU A 71 18.624 -2.414 5.977 1.00 0.00 C ATOM 1086 O GLU A 71 19.004 -1.262 5.927 1.00 0.00 O ATOM 1087 CB GLU A 71 18.917 -4.449 4.542 1.00 0.00 C ATOM 1088 CG GLU A 71 18.640 -3.612 3.289 1.00 0.00 C ATOM 1089 CD GLU A 71 18.049 -4.512 2.202 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.058 -5.718 2.390 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.604 -3.981 1.198 1.00 0.00 O ATOM 0 H GLU A 71 19.315 -5.298 6.857 1.00 0.00 H new ATOM 0 HA GLU A 71 20.504 -3.145 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.573 -5.284 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.987 -4.875 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.948 -2.803 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.562 -3.151 2.934 1.00 0.00 H new ATOM 1098 N PHE A 72 17.379 -2.704 6.257 1.00 0.00 N ATOM 1099 CA PHE A 72 16.385 -1.613 6.523 1.00 0.00 C ATOM 1100 C PHE A 72 16.413 -1.072 7.965 1.00 0.00 C ATOM 1101 O PHE A 72 16.035 0.060 8.193 1.00 0.00 O ATOM 1102 CB PHE A 72 14.987 -2.164 6.237 1.00 0.00 C ATOM 1103 CG PHE A 72 14.839 -2.411 4.755 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.357 -1.396 3.922 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.188 -3.655 4.215 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.222 -1.624 2.547 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.054 -3.883 2.839 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.572 -2.867 2.006 1.00 0.00 C ATOM 0 H PHE A 72 17.004 -3.651 6.314 1.00 0.00 H new ATOM 0 HA PHE A 72 16.649 -0.778 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.829 -3.091 6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.229 -1.458 6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.089 -0.437 4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.560 -4.438 4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.848 -0.841 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.323 -4.842 2.422 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.470 -3.042 0.945 1.00 0.00 H new ATOM 1118 N ILE A 73 16.802 -1.849 8.946 1.00 0.00 N ATOM 1119 CA ILE A 73 16.774 -1.327 10.360 1.00 0.00 C ATOM 1120 C ILE A 73 18.147 -0.810 10.801 1.00 0.00 C ATOM 1121 O ILE A 73 18.251 -0.108 11.788 1.00 0.01 O ATOM 1122 CB ILE A 73 16.352 -2.453 11.302 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.009 -3.049 10.829 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.217 -1.917 12.731 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.899 -1.982 10.807 1.00 0.00 C ATOM 0 H ILE A 73 17.134 -2.808 8.839 1.00 0.00 H new ATOM 0 HA ILE A 73 16.066 -0.499 10.397 1.00 0.00 H new ATOM 0 HB ILE A 73 17.112 -3.234 11.291 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.128 -3.473 9.832 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.718 -3.865 11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.916 -2.726 13.396 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.175 -1.514 13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.464 -1.129 12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.966 -2.434 10.469 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.764 -1.577 11.810 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.180 -1.179 10.126 1.00 0.00 H new ATOM 1137 N SER A 74 19.201 -1.134 10.107 1.00 0.01 N ATOM 1138 CA SER A 74 20.531 -0.628 10.550 1.00 0.00 C ATOM 1139 C SER A 74 20.494 0.900 10.582 1.00 0.00 C ATOM 1140 O SER A 74 20.077 1.541 9.638 1.00 0.01 O ATOM 1141 CB SER A 74 21.625 -1.099 9.592 1.00 0.00 C ATOM 1142 OG SER A 74 21.250 -0.797 8.257 1.00 0.01 O ATOM 0 H SER A 74 19.203 -1.715 9.269 1.00 0.01 H new ATOM 0 HA SER A 74 20.752 -1.015 11.544 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.569 -0.612 9.834 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.782 -2.172 9.703 1.00 0.00 H new ATOM 0 HG SER A 74 21.346 -1.598 7.701 1.00 0.01 H new ATOM 1148 N VAL A 75 20.921 1.489 11.665 1.00 0.01 N ATOM 1149 CA VAL A 75 20.903 2.974 11.763 1.00 0.01 C ATOM 1150 C VAL A 75 21.773 3.568 10.654 1.00 0.00 C ATOM 1151 O VAL A 75 21.689 4.739 10.345 1.00 0.00 O ATOM 1152 CB VAL A 75 21.431 3.402 13.134 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.579 2.750 14.226 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.893 2.966 13.289 1.00 0.00 C ATOM 0 H VAL A 75 21.282 1.004 12.487 1.00 0.01 H new ATOM 0 HA VAL A 75 19.882 3.338 11.647 1.00 0.01 H new ATOM 0 HB VAL A 75 21.374 4.487 13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.950 3.051 15.206 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.542 3.068 14.117 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.637 1.665 14.134 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.263 3.274 14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.961 1.882 13.200 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.496 3.432 12.510 1.00 0.00 H new ATOM 1164 N GLN A 76 22.604 2.763 10.043 1.00 0.01 N ATOM 1165 CA GLN A 76 23.477 3.274 8.943 1.00 0.01 C ATOM 1166 C GLN A 76 22.821 2.945 7.602 1.00 0.01 C ATOM 1167 O GLN A 76 23.337 3.262 6.549 1.00 0.01 O ATOM 1168 CB GLN A 76 24.844 2.589 9.019 1.00 0.00 C ATOM 1169 CG GLN A 76 25.573 3.058 10.279 1.00 0.01 C ATOM 1170 CD GLN A 76 26.939 2.379 10.363 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.070 1.209 10.057 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.969 3.065 10.772 1.00 0.01 N ATOM 0 H GLN A 76 22.716 1.772 10.259 1.00 0.01 H new ATOM 0 HA GLN A 76 23.606 4.352 9.041 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.721 1.506 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.433 2.828 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.695 4.141 10.259 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.982 2.820 11.163 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.859 4.046 11.029 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.885 2.621 10.835 1.00 0.01 H new ATOM 1181 N ALA A 77 21.680 2.312 7.640 1.00 0.01 N ATOM 1182 CA ALA A 77 20.975 1.962 6.375 1.00 0.00 C ATOM 1183 C ALA A 77 20.841 3.204 5.499 1.00 0.01 C ATOM 1184 O ALA A 77 20.498 4.273 5.968 1.00 0.00 O ATOM 1185 CB ALA A 77 19.575 1.437 6.697 1.00 0.00 C ATOM 0 H ALA A 77 21.205 2.022 8.495 1.00 0.01 H new ATOM 0 HA ALA A 77 21.549 1.198 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.060 1.181 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.655 0.549 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.011 2.206 7.225 1.00 0.00 H new ATOM 1191 N THR A 78 21.086 3.072 4.228 1.00 0.01 N ATOM 1192 CA THR A 78 20.949 4.244 3.324 1.00 0.01 C ATOM 1193 C THR A 78 19.461 4.563 3.163 1.00 0.01 C ATOM 1194 O THR A 78 19.088 5.614 2.682 1.00 0.00 O ATOM 1195 CB THR A 78 21.557 3.910 1.960 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.831 2.841 1.368 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.019 3.497 2.139 1.00 0.01 C ATOM 0 H THR A 78 21.375 2.204 3.776 1.00 0.01 H new ATOM 0 HA THR A 78 21.470 5.105 3.743 1.00 0.01 H new ATOM 0 HB THR A 78 21.505 4.787 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.218 2.627 0.494 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.452 3.259 1.167 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.576 4.317 2.593 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.073 2.620 2.784 1.00 0.01 H new ATOM 1205 N LYS A 79 18.609 3.649 3.562 1.00 0.00 N ATOM 1206 CA LYS A 79 17.132 3.865 3.440 1.00 0.00 C ATOM 1207 C LYS A 79 16.432 3.420 4.730 1.00 0.00 C ATOM 1208 O LYS A 79 15.673 2.471 4.742 1.00 0.00 O ATOM 1209 CB LYS A 79 16.600 3.051 2.253 1.00 0.00 C ATOM 1210 CG LYS A 79 17.155 1.623 2.307 1.00 0.00 C ATOM 1211 CD LYS A 79 16.660 0.841 1.090 1.00 0.01 C ATOM 1212 CE LYS A 79 17.222 -0.580 1.130 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.726 -1.342 -0.050 1.00 0.00 N ATOM 0 H LYS A 79 18.877 2.754 3.971 1.00 0.00 H new ATOM 0 HA LYS A 79 16.931 4.924 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.510 3.028 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.889 3.527 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.245 1.645 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.834 1.131 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.570 0.812 1.082 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.972 1.340 0.173 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.312 -0.552 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.919 -1.077 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.506 -1.897 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.963 -1.983 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.363 -0.679 -0.764 1.00 0.00 H new ATOM 1227 N GLU A 80 16.677 4.102 5.818 1.00 0.00 N ATOM 1228 CA GLU A 80 16.022 3.719 7.103 1.00 0.00 C ATOM 1229 C GLU A 80 14.502 3.806 6.952 1.00 0.00 C ATOM 1230 O GLU A 80 13.980 4.712 6.336 1.00 0.00 O ATOM 1231 CB GLU A 80 16.473 4.671 8.214 1.00 0.00 C ATOM 1232 CG GLU A 80 17.942 4.410 8.548 1.00 0.00 C ATOM 1233 CD GLU A 80 18.402 5.387 9.630 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.869 6.457 9.276 1.00 0.00 O ATOM 1235 OE2 GLU A 80 18.283 5.048 10.797 1.00 0.01 O ATOM 0 H GLU A 80 17.302 4.907 5.872 1.00 0.00 H new ATOM 0 HA GLU A 80 16.306 2.698 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.340 5.705 7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.857 4.528 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.071 3.384 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.555 4.526 7.654 1.00 0.00 H new ATOM 1242 N VAL A 81 13.789 2.868 7.516 1.00 0.00 N ATOM 1243 CA VAL A 81 12.300 2.889 7.413 1.00 0.00 C ATOM 1244 C VAL A 81 11.733 3.719 8.564 1.00 0.00 C ATOM 1245 O VAL A 81 12.247 3.704 9.664 1.00 0.00 O ATOM 1246 CB VAL A 81 11.763 1.455 7.493 1.00 0.00 C ATOM 1247 CG1 VAL A 81 11.945 0.760 6.139 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.536 0.685 8.567 1.00 0.00 C ATOM 0 H VAL A 81 14.174 2.086 8.045 1.00 0.00 H new ATOM 0 HA VAL A 81 12.000 3.330 6.463 1.00 0.00 H new ATOM 0 HB VAL A 81 10.703 1.478 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.563 -0.259 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.398 1.308 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.004 0.736 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.157 -0.335 8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.595 0.664 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.407 1.177 9.531 1.00 0.00 H new ATOM 1258 N ASN A 82 10.678 4.447 8.321 1.00 0.00 N ATOM 1259 CA ASN A 82 10.089 5.276 9.406 1.00 0.00 C ATOM 1260 C ASN A 82 9.374 4.364 10.403 1.00 0.00 C ATOM 1261 O ASN A 82 8.317 3.832 10.130 1.00 0.00 O ATOM 1262 CB ASN A 82 9.092 6.270 8.803 1.00 0.00 C ATOM 1263 CG ASN A 82 8.245 5.566 7.740 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.515 6.205 7.009 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.311 4.268 7.622 1.00 0.00 N ATOM 0 H ASN A 82 10.201 4.503 7.421 1.00 0.00 H new ATOM 0 HA ASN A 82 10.877 5.827 9.920 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.450 6.676 9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.625 7.111 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.750 3.791 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.924 3.731 8.235 1.00 0.00 H new ATOM 1272 N LEU A 83 9.954 4.177 11.559 1.00 0.00 N ATOM 1273 CA LEU A 83 9.333 3.297 12.594 1.00 0.00 C ATOM 1274 C LEU A 83 9.641 3.872 13.978 1.00 0.00 C ATOM 1275 O LEU A 83 10.476 4.742 14.125 1.00 0.00 O ATOM 1276 CB LEU A 83 9.923 1.883 12.496 1.00 0.01 C ATOM 1277 CG LEU A 83 9.462 1.184 11.205 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.221 -0.137 11.053 1.00 0.00 C ATOM 1279 CD2 LEU A 83 7.945 0.909 11.256 1.00 0.00 C ATOM 0 H LEU A 83 10.840 4.600 11.834 1.00 0.00 H new ATOM 0 HA LEU A 83 8.256 3.250 12.435 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.011 1.937 12.517 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.616 1.296 13.362 1.00 0.01 H new ATOM 0 HG LEU A 83 9.669 1.831 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.900 -0.638 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.291 0.062 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.013 -0.777 11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.634 0.414 10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.720 0.267 12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.408 1.852 11.361 1.00 0.00 H new ATOM 1291 N ASP A 84 8.979 3.394 14.995 1.00 0.01 N ATOM 1292 CA ASP A 84 9.245 3.920 16.364 1.00 0.00 C ATOM 1293 C ASP A 84 10.604 3.409 16.853 1.00 0.00 C ATOM 1294 O ASP A 84 11.152 2.466 16.319 1.00 0.00 O ATOM 1295 CB ASP A 84 8.140 3.460 17.321 1.00 0.00 C ATOM 1296 CG ASP A 84 7.829 1.983 17.080 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.639 1.619 15.931 1.00 0.00 O ATOM 1298 OD2 ASP A 84 7.780 1.242 18.048 1.00 0.01 O ATOM 0 H ASP A 84 8.268 2.665 14.938 1.00 0.01 H new ATOM 0 HA ASP A 84 9.259 5.010 16.336 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.454 3.611 18.354 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.242 4.060 17.170 1.00 0.00 H new ATOM 1303 N SER A 85 11.153 4.038 17.854 1.00 0.00 N ATOM 1304 CA SER A 85 12.483 3.609 18.377 1.00 0.01 C ATOM 1305 C SER A 85 12.367 2.255 19.081 1.00 0.01 C ATOM 1306 O SER A 85 13.342 1.547 19.239 1.00 0.00 O ATOM 1307 CB SER A 85 12.997 4.651 19.369 1.00 0.01 C ATOM 1308 OG SER A 85 14.262 4.239 19.869 1.00 0.00 O ATOM 0 H SER A 85 10.737 4.835 18.336 1.00 0.00 H new ATOM 0 HA SER A 85 13.177 3.516 17.542 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.084 5.622 18.882 1.00 0.01 H new ATOM 0 HB3 SER A 85 12.289 4.769 20.190 1.00 0.01 H new ATOM 0 HG SER A 85 14.151 3.435 20.418 1.00 0.00 H new ATOM 1314 N CYS A 86 11.194 1.888 19.515 1.00 0.01 N ATOM 1315 CA CYS A 86 11.040 0.580 20.217 1.00 0.01 C ATOM 1316 C CYS A 86 10.937 -0.547 19.189 1.00 0.00 C ATOM 1317 O CYS A 86 11.529 -1.597 19.343 1.00 0.01 O ATOM 1318 CB CYS A 86 9.772 0.609 21.076 1.00 0.01 C ATOM 1319 SG CYS A 86 9.839 -0.727 22.296 1.00 0.01 S ATOM 0 H CYS A 86 10.338 2.433 19.416 1.00 0.01 H new ATOM 0 HA CYS A 86 11.907 0.407 20.854 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.683 1.572 21.580 1.00 0.01 H new ATOM 0 HB3 CYS A 86 8.890 0.496 20.445 1.00 0.01 H new ATOM 0 HG CYS A 86 8.764 -0.702 23.027 1.00 0.01 H new ATOM 1325 N THR A 87 10.190 -0.340 18.142 1.00 0.00 N ATOM 1326 CA THR A 87 10.052 -1.403 17.107 1.00 0.00 C ATOM 1327 C THR A 87 11.421 -1.739 16.514 1.00 0.00 C ATOM 1328 O THR A 87 11.790 -2.892 16.404 1.00 0.01 O ATOM 1329 CB THR A 87 9.130 -0.910 15.995 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.842 -0.642 16.533 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.024 -1.974 14.905 1.00 0.00 C ATOM 0 H THR A 87 9.669 0.517 17.957 1.00 0.00 H new ATOM 0 HA THR A 87 9.632 -2.297 17.568 1.00 0.00 H new ATOM 0 HB THR A 87 9.538 0.004 15.563 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.365 -0.019 15.946 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.365 -1.619 14.113 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.013 -2.172 14.493 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.618 -2.892 15.331 1.00 0.00 H new ATOM 1339 N ARG A 88 12.181 -0.750 16.125 1.00 0.01 N ATOM 1340 CA ARG A 88 13.517 -1.040 15.538 1.00 0.00 C ATOM 1341 C ARG A 88 14.359 -1.790 16.571 1.00 0.00 C ATOM 1342 O ARG A 88 14.936 -2.824 16.289 1.00 0.01 O ATOM 1343 CB ARG A 88 14.215 0.272 15.158 1.00 0.00 C ATOM 1344 CG ARG A 88 13.444 0.942 14.019 1.00 0.00 C ATOM 1345 CD ARG A 88 14.142 2.243 13.617 1.00 0.00 C ATOM 1346 NE ARG A 88 14.194 3.168 14.782 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.006 4.191 14.762 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.778 4.390 13.731 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.047 5.010 15.777 1.00 0.01 N ATOM 0 H ARG A 88 11.935 0.238 16.188 1.00 0.01 H new ATOM 0 HA ARG A 88 13.400 -1.650 14.642 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.262 0.936 16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.242 0.075 14.851 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.385 0.270 13.163 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.421 1.149 14.332 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.151 2.031 13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.608 2.713 12.791 1.00 0.00 H new ATOM 0 HE ARG A 88 13.598 3.004 15.593 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.748 3.747 12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.412 5.189 13.715 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.445 4.851 16.585 1.00 0.01 H new ATOM 0 HH22 ARG A 88 15.681 5.809 15.762 1.00 0.01 H new ATOM 1363 N GLU A 89 14.426 -1.282 17.770 1.00 0.01 N ATOM 1364 CA GLU A 89 15.218 -1.968 18.825 1.00 0.01 C ATOM 1365 C GLU A 89 14.651 -3.370 19.056 1.00 0.01 C ATOM 1366 O GLU A 89 15.379 -4.322 19.241 1.00 0.00 O ATOM 1367 CB GLU A 89 15.132 -1.163 20.123 1.00 0.01 C ATOM 1368 CG GLU A 89 15.914 0.141 19.966 1.00 0.01 C ATOM 1369 CD GLU A 89 15.734 0.997 21.220 1.00 0.01 C ATOM 1370 OE1 GLU A 89 16.499 0.813 22.153 1.00 0.01 O ATOM 1371 OE2 GLU A 89 14.836 1.820 21.226 1.00 0.01 O ATOM 0 H GLU A 89 13.966 -0.421 18.064 1.00 0.01 H new ATOM 0 HA GLU A 89 16.259 -2.045 18.510 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.090 -0.948 20.362 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.536 -1.744 20.952 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.971 -0.073 19.807 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.564 0.684 19.088 1.00 0.01 H new ATOM 1378 N GLU A 90 13.352 -3.499 19.054 1.00 0.00 N ATOM 1379 CA GLU A 90 12.737 -4.837 19.281 1.00 0.01 C ATOM 1380 C GLU A 90 13.199 -5.815 18.200 1.00 0.01 C ATOM 1381 O GLU A 90 13.482 -6.965 18.473 1.00 0.01 O ATOM 1382 CB GLU A 90 11.213 -4.717 19.247 1.00 0.01 C ATOM 1383 CG GLU A 90 10.592 -6.073 19.590 1.00 0.00 C ATOM 1384 CD GLU A 90 9.074 -5.927 19.686 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.604 -4.802 19.653 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.407 -6.943 19.796 1.00 0.00 O ATOM 0 H GLU A 90 12.691 -2.736 18.905 1.00 0.00 H new ATOM 0 HA GLU A 90 13.049 -5.210 20.257 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.880 -3.961 19.958 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.884 -4.393 18.260 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.850 -6.807 18.827 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.993 -6.441 20.534 1.00 0.00 H new ATOM 1393 N THR A 91 13.283 -5.379 16.972 1.00 0.01 N ATOM 1394 CA THR A 91 13.731 -6.305 15.898 1.00 0.01 C ATOM 1395 C THR A 91 15.148 -6.781 16.224 1.00 0.01 C ATOM 1396 O THR A 91 15.481 -7.934 16.053 1.00 0.01 O ATOM 1397 CB THR A 91 13.713 -5.579 14.549 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.426 -5.011 14.342 1.00 0.00 O ATOM 1399 CG2 THR A 91 14.003 -6.579 13.426 1.00 0.01 C ATOM 0 H THR A 91 13.063 -4.430 16.670 1.00 0.01 H new ATOM 0 HA THR A 91 13.061 -7.163 15.838 1.00 0.01 H new ATOM 0 HB THR A 91 14.471 -4.796 14.547 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.317 -4.228 14.921 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.990 -6.062 12.466 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.984 -7.028 13.583 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.242 -7.359 13.428 1.00 0.01 H new ATOM 1407 N SER A 92 15.985 -5.905 16.714 1.00 0.01 N ATOM 1408 CA SER A 92 17.367 -6.328 17.070 1.00 0.01 C ATOM 1409 C SER A 92 17.284 -7.423 18.136 1.00 0.01 C ATOM 1410 O SER A 92 18.047 -8.364 18.139 1.00 0.00 O ATOM 1411 CB SER A 92 18.150 -5.136 17.626 1.00 0.01 C ATOM 1412 OG SER A 92 17.657 -4.814 18.920 1.00 0.01 O ATOM 0 H SER A 92 15.772 -4.922 16.882 1.00 0.01 H new ATOM 0 HA SER A 92 17.876 -6.704 16.183 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.212 -5.376 17.678 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.049 -4.278 16.962 1.00 0.01 H new ATOM 0 HG SER A 92 16.677 -4.810 18.905 1.00 0.01 H new ATOM 1418 N ARG A 93 16.351 -7.301 19.042 1.00 0.01 N ATOM 1419 CA ARG A 93 16.199 -8.328 20.115 1.00 0.01 C ATOM 1420 C ARG A 93 15.789 -9.666 19.495 1.00 0.01 C ATOM 1421 O ARG A 93 16.135 -10.720 19.990 1.00 0.01 O ATOM 1422 CB ARG A 93 15.113 -7.883 21.097 1.00 0.00 C ATOM 1423 CG ARG A 93 15.502 -6.550 21.751 1.00 0.01 C ATOM 1424 CD ARG A 93 16.679 -6.747 22.718 1.00 0.01 C ATOM 1425 NE ARG A 93 16.663 -5.655 23.744 1.00 0.00 N ATOM 1426 CZ ARG A 93 16.633 -4.396 23.395 1.00 0.01 C ATOM 1427 NH1 ARG A 93 16.824 -4.052 22.151 1.00 0.00 N ATOM 1428 NH2 ARG A 93 16.470 -3.474 24.303 1.00 0.01 N ATOM 0 H ARG A 93 15.684 -6.531 19.086 1.00 0.01 H new ATOM 0 HA ARG A 93 17.149 -8.441 20.638 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.162 -7.776 20.575 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.972 -8.645 21.864 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.773 -5.827 20.982 1.00 0.01 H new ATOM 0 HG3 ARG A 93 14.647 -6.139 22.288 1.00 0.01 H new ATOM 0 HD2 ARG A 93 16.607 -7.720 23.204 1.00 0.01 H new ATOM 0 HD3 ARG A 93 17.621 -6.734 22.170 1.00 0.01 H new ATOM 0 HE ARG A 93 16.676 -5.899 24.734 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.998 -4.767 21.445 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.799 -3.068 21.885 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.366 -3.736 25.283 1.00 0.01 H new ATOM 0 HH22 ARG A 93 16.446 -2.491 24.033 1.00 0.01 H new ATOM 1442 N ASN A 94 15.042 -9.633 18.426 1.00 0.01 N ATOM 1443 CA ASN A 94 14.598 -10.906 17.788 1.00 0.01 C ATOM 1444 C ASN A 94 15.815 -11.701 17.317 1.00 0.01 C ATOM 1445 O ASN A 94 15.754 -12.905 17.162 1.00 0.01 O ATOM 1446 CB ASN A 94 13.686 -10.597 16.598 1.00 0.01 C ATOM 1447 CG ASN A 94 12.341 -10.084 17.113 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.889 -9.026 16.723 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.678 -10.798 17.981 1.00 0.01 N ATOM 0 H ASN A 94 14.720 -8.781 17.967 1.00 0.01 H new ATOM 0 HA ASN A 94 14.046 -11.499 18.517 1.00 0.01 H new ATOM 0 HB2 ASN A 94 14.150 -9.851 15.953 1.00 0.01 H new ATOM 0 HB3 ASN A 94 13.540 -11.493 15.995 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.779 -10.468 18.333 1.00 0.01 H new ATOM 0 HD22 ASN A 94 12.058 -11.686 18.308 1.00 0.01 H new ATOM 1456 N MET A 95 16.927 -11.052 17.102 1.00 0.01 N ATOM 1457 CA MET A 95 18.137 -11.801 16.659 1.00 0.01 C ATOM 1458 C MET A 95 18.477 -12.832 17.733 1.00 0.01 C ATOM 1459 O MET A 95 18.839 -13.955 17.444 1.00 0.01 O ATOM 1460 CB MET A 95 19.318 -10.834 16.494 1.00 0.01 C ATOM 1461 CG MET A 95 19.207 -10.078 15.168 1.00 0.01 C ATOM 1462 SD MET A 95 17.498 -9.561 14.880 1.00 0.01 S ATOM 1463 CE MET A 95 17.605 -9.517 13.079 1.00 0.01 C ATOM 0 H MET A 95 17.050 -10.045 17.213 1.00 0.01 H new ATOM 0 HA MET A 95 17.944 -12.290 15.704 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.336 -10.126 17.323 1.00 0.01 H new ATOM 0 HB3 MET A 95 20.257 -11.387 16.527 1.00 0.01 H new ATOM 0 HG2 MET A 95 19.860 -9.205 15.183 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.544 -10.714 14.350 1.00 0.01 H new ATOM 0 HE1 MET A 95 16.666 -9.147 12.668 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.418 -8.856 12.779 1.00 0.01 H new ATOM 0 HE3 MET A 95 17.796 -10.521 12.701 1.00 0.01 H new ATOM 1473 N LEU A 96 18.348 -12.454 18.972 1.00 0.01 N ATOM 1474 CA LEU A 96 18.648 -13.397 20.081 1.00 0.01 C ATOM 1475 C LEU A 96 17.614 -14.524 20.058 1.00 0.01 C ATOM 1476 O LEU A 96 17.927 -15.676 20.279 1.00 0.01 O ATOM 1477 CB LEU A 96 18.562 -12.654 21.416 1.00 0.01 C ATOM 1478 CG LEU A 96 19.578 -11.503 21.440 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.467 -10.767 22.777 1.00 0.01 C ATOM 1480 CD2 LEU A 96 21.007 -12.046 21.259 1.00 0.01 C ATOM 0 H LEU A 96 18.045 -11.525 19.266 1.00 0.01 H new ATOM 0 HA LEU A 96 19.650 -13.808 19.962 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.554 -12.264 21.561 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.759 -13.342 22.238 1.00 0.01 H new ATOM 0 HG LEU A 96 19.363 -10.816 20.621 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.186 -9.948 22.802 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.459 -10.369 22.891 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.678 -11.459 23.592 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.716 -11.218 21.278 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.238 -12.740 22.067 1.00 0.01 H new ATOM 0 HD23 LEU A 96 21.081 -12.565 20.303 1.00 0.01 H new ATOM 1492 N GLU A 97 16.378 -14.191 19.793 1.00 0.01 N ATOM 1493 CA GLU A 97 15.302 -15.226 19.752 1.00 0.01 C ATOM 1494 C GLU A 97 14.337 -14.901 18.604 1.00 0.01 C ATOM 1495 O GLU A 97 13.254 -14.400 18.830 1.00 0.01 O ATOM 1496 CB GLU A 97 14.536 -15.207 21.077 1.00 0.01 C ATOM 1497 CG GLU A 97 15.496 -15.521 22.225 1.00 0.01 C ATOM 1498 CD GLU A 97 14.713 -15.610 23.535 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.549 -15.246 23.534 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.291 -16.043 24.519 1.00 0.01 O ATOM 0 H GLU A 97 16.065 -13.239 19.602 1.00 0.01 H new ATOM 0 HA GLU A 97 15.741 -16.211 19.596 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.076 -14.230 21.230 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.729 -15.939 21.053 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.013 -16.461 22.034 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.259 -14.746 22.297 1.00 0.01 H new ATOM 1507 N PRO A 98 14.722 -15.174 17.375 1.00 0.01 N ATOM 1508 CA PRO A 98 13.841 -14.878 16.208 1.00 0.01 C ATOM 1509 C PRO A 98 12.464 -15.547 16.329 1.00 0.01 C ATOM 1510 O PRO A 98 12.356 -16.734 16.565 1.00 0.01 O ATOM 1511 CB PRO A 98 14.655 -15.447 15.028 1.00 0.00 C ATOM 1512 CG PRO A 98 16.087 -15.718 15.527 1.00 0.01 C ATOM 1513 CD PRO A 98 16.047 -15.785 17.063 1.00 0.01 C ATOM 0 HA PRO A 98 13.607 -13.818 16.107 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.200 -16.366 14.658 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.668 -14.741 14.198 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.464 -16.653 15.114 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.762 -14.928 15.197 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.118 -16.810 17.427 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.868 -15.229 17.516 1.00 0.01 H new ATOM 1521 N THR A 99 11.412 -14.781 16.161 1.00 0.01 N ATOM 1522 CA THR A 99 10.025 -15.339 16.256 1.00 0.01 C ATOM 1523 C THR A 99 9.275 -15.026 14.964 1.00 0.01 C ATOM 1524 O THR A 99 9.710 -14.225 14.165 1.00 0.01 O ATOM 1525 CB THR A 99 9.286 -14.678 17.426 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.308 -13.267 17.259 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.962 -15.052 18.744 1.00 0.00 C ATOM 0 H THR A 99 11.456 -13.782 15.960 1.00 0.01 H new ATOM 0 HA THR A 99 10.076 -16.416 16.413 1.00 0.01 H new ATOM 0 HB THR A 99 8.253 -15.026 17.445 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.835 -12.842 18.005 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.433 -14.579 19.571 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.940 -16.134 18.870 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.997 -14.709 18.732 1.00 0.00 H new ATOM 1535 N ILE A 100 8.147 -15.647 14.757 1.00 0.00 N ATOM 1536 CA ILE A 100 7.362 -15.377 13.520 1.00 0.01 C ATOM 1537 C ILE A 100 6.725 -13.989 13.627 1.00 0.01 C ATOM 1538 O ILE A 100 6.340 -13.392 12.641 1.00 0.01 O ATOM 1539 CB ILE A 100 6.274 -16.447 13.363 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.586 -16.301 11.995 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.233 -16.288 14.472 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.575 -16.589 10.854 1.00 0.01 C ATOM 0 H ILE A 100 7.734 -16.331 15.392 1.00 0.00 H new ATOM 0 HA ILE A 100 8.016 -15.407 12.648 1.00 0.01 H new ATOM 0 HB ILE A 100 6.734 -17.433 13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.741 -16.987 11.932 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.186 -15.293 11.890 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.461 -17.049 14.358 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.715 -16.402 15.443 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.780 -15.299 14.406 1.00 0.01 H new ATOM 0 HD11 ILE A 100 6.067 -16.480 9.896 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.406 -15.885 10.906 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.955 -17.606 10.950 1.00 0.01 H new ATOM 1554 N THR A 101 6.606 -13.472 14.825 1.00 0.00 N ATOM 1555 CA THR A 101 5.988 -12.124 15.011 1.00 0.01 C ATOM 1556 C THR A 101 7.086 -11.060 15.107 1.00 0.01 C ATOM 1557 O THR A 101 6.839 -9.934 15.490 1.00 0.01 O ATOM 1558 CB THR A 101 5.168 -12.116 16.304 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.023 -12.401 17.404 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.071 -13.175 16.222 1.00 0.01 C ATOM 0 H THR A 101 6.912 -13.928 15.685 1.00 0.00 H new ATOM 0 HA THR A 101 5.342 -11.904 14.161 1.00 0.01 H new ATOM 0 HB THR A 101 4.712 -11.135 16.440 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.502 -12.395 18.234 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.489 -13.168 17.143 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.417 -12.957 15.378 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.523 -14.157 16.086 1.00 0.01 H new ATOM 1568 N CYS A 102 8.295 -11.414 14.778 1.00 0.00 N ATOM 1569 CA CYS A 102 9.416 -10.434 14.865 1.00 0.00 C ATOM 1570 C CYS A 102 9.132 -9.205 13.994 1.00 0.01 C ATOM 1571 O CYS A 102 9.133 -8.086 14.468 1.00 0.01 O ATOM 1572 CB CYS A 102 10.707 -11.104 14.385 1.00 0.00 C ATOM 1573 SG CYS A 102 11.998 -9.855 14.156 1.00 0.01 S ATOM 0 H CYS A 102 8.558 -12.344 14.451 1.00 0.00 H new ATOM 0 HA CYS A 102 9.520 -10.111 15.901 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.033 -11.848 15.112 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.527 -11.631 13.448 1.00 0.00 H new ATOM 0 HG CYS A 102 11.999 -9.041 15.169 1.00 0.01 H new ATOM 1579 N PHE A 103 8.915 -9.395 12.718 1.00 0.00 N ATOM 1580 CA PHE A 103 8.665 -8.225 11.816 1.00 0.01 C ATOM 1581 C PHE A 103 7.163 -7.960 11.672 1.00 0.01 C ATOM 1582 O PHE A 103 6.760 -6.965 11.102 1.00 0.00 O ATOM 1583 CB PHE A 103 9.260 -8.526 10.439 1.00 0.00 C ATOM 1584 CG PHE A 103 10.767 -8.565 10.542 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.415 -9.770 10.835 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.517 -7.399 10.341 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.811 -9.813 10.928 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.914 -7.440 10.433 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.561 -8.647 10.728 1.00 0.00 C ATOM 0 H PHE A 103 8.900 -10.306 12.260 1.00 0.00 H new ATOM 0 HA PHE A 103 9.132 -7.340 12.247 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.885 -9.480 10.069 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.953 -7.764 9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.837 -10.669 10.990 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.018 -6.468 10.115 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.309 -10.744 11.154 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.492 -6.541 10.277 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.638 -8.679 10.801 1.00 0.00 H new ATOM 1599 N ASP A 104 6.327 -8.823 12.179 1.00 0.01 N ATOM 1600 CA ASP A 104 4.861 -8.579 12.055 1.00 0.01 C ATOM 1601 C ASP A 104 4.526 -7.265 12.751 1.00 0.00 C ATOM 1602 O ASP A 104 3.733 -6.477 12.277 1.00 0.01 O ATOM 1603 CB ASP A 104 4.078 -9.707 12.720 1.00 0.01 C ATOM 1604 CG ASP A 104 4.242 -10.992 11.905 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.770 -10.912 10.809 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.834 -12.034 12.390 1.00 0.00 O ATOM 0 H ASP A 104 6.590 -9.678 12.669 1.00 0.01 H new ATOM 0 HA ASP A 104 4.591 -8.535 11.000 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.436 -9.861 13.738 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.023 -9.440 12.790 1.00 0.01 H new ATOM 1611 N GLU A 105 5.138 -7.021 13.875 1.00 0.00 N ATOM 1612 CA GLU A 105 4.873 -5.761 14.610 1.00 0.00 C ATOM 1613 C GLU A 105 5.272 -4.591 13.713 1.00 0.00 C ATOM 1614 O GLU A 105 4.620 -3.568 13.686 1.00 0.01 O ATOM 1615 CB GLU A 105 5.692 -5.740 15.903 1.00 0.00 C ATOM 1616 CG GLU A 105 5.426 -4.441 16.669 1.00 0.00 C ATOM 1617 CD GLU A 105 6.247 -4.438 17.959 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.806 -5.473 18.283 1.00 0.00 O ATOM 1619 OE2 GLU A 105 6.295 -3.405 18.605 1.00 0.01 O ATOM 0 H GLU A 105 5.813 -7.645 14.316 1.00 0.00 H new ATOM 0 HA GLU A 105 3.817 -5.685 14.868 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.431 -6.598 16.523 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.754 -5.825 15.672 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.691 -3.581 16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.364 -4.352 16.900 1.00 0.00 H new ATOM 1626 N ALA A 106 6.336 -4.738 12.974 1.00 0.00 N ATOM 1627 CA ALA A 106 6.770 -3.635 12.079 1.00 0.00 C ATOM 1628 C ALA A 106 5.726 -3.452 10.976 1.00 0.00 C ATOM 1629 O ALA A 106 5.392 -2.344 10.612 1.00 0.00 O ATOM 1630 CB ALA A 106 8.124 -3.986 11.456 1.00 0.00 C ATOM 0 H ALA A 106 6.921 -5.573 12.952 1.00 0.00 H new ATOM 0 HA ALA A 106 6.868 -2.711 12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.443 -3.177 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.863 -4.125 12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.032 -4.906 10.879 1.00 0.00 H new ATOM 1636 N GLN A 107 5.192 -4.523 10.456 1.00 0.00 N ATOM 1637 CA GLN A 107 4.158 -4.384 9.392 1.00 0.00 C ATOM 1638 C GLN A 107 2.979 -3.595 9.956 1.00 0.00 C ATOM 1639 O GLN A 107 2.406 -2.754 9.291 1.00 0.00 O ATOM 1640 CB GLN A 107 3.676 -5.760 8.933 1.00 0.00 C ATOM 1641 CG GLN A 107 4.790 -6.458 8.155 1.00 0.00 C ATOM 1642 CD GLN A 107 4.280 -7.806 7.634 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.202 -7.884 7.080 1.00 0.00 O ATOM 1644 NE2 GLN A 107 5.009 -8.874 7.796 1.00 0.00 N ATOM 0 H GLN A 107 5.424 -5.481 10.719 1.00 0.00 H new ATOM 0 HA GLN A 107 4.588 -3.863 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.388 -6.362 9.795 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.790 -5.656 8.306 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.114 -5.833 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.658 -6.609 8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.914 -8.808 8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.674 -9.776 7.457 1.00 0.00 H new ATOM 1653 N LYS A 108 2.615 -3.850 11.184 1.00 0.00 N ATOM 1654 CA LYS A 108 1.480 -3.103 11.787 1.00 0.00 C ATOM 1655 C LYS A 108 1.834 -1.619 11.774 1.00 0.00 C ATOM 1656 O LYS A 108 1.014 -0.774 11.473 1.00 0.00 O ATOM 1657 CB LYS A 108 1.276 -3.562 13.233 1.00 0.00 C ATOM 1658 CG LYS A 108 -0.002 -2.936 13.801 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.051 -3.148 15.317 1.00 0.01 C ATOM 1660 CE LYS A 108 0.027 -4.643 15.639 1.00 0.00 C ATOM 1661 NZ LYS A 108 -0.815 -5.405 14.675 1.00 0.00 N ATOM 0 H LYS A 108 3.054 -4.541 11.792 1.00 0.00 H new ATOM 0 HA LYS A 108 0.564 -3.284 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.208 -4.649 13.273 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.134 -3.274 13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.029 -1.871 13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.878 -3.385 13.333 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.776 -2.621 15.793 1.00 0.01 H new ATOM 0 HD3 LYS A 108 -0.972 -2.728 15.722 1.00 0.01 H new ATOM 0 HE2 LYS A 108 1.061 -4.984 15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.314 -4.824 16.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.082 -6.319 15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.673 -4.860 14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.278 -5.569 13.800 1.00 0.00 H new ATOM 1675 N LYS A 109 3.061 -1.301 12.075 1.00 0.01 N ATOM 1676 CA LYS A 109 3.483 0.123 12.057 1.00 0.00 C ATOM 1677 C LYS A 109 3.453 0.620 10.611 1.00 0.00 C ATOM 1678 O LYS A 109 3.042 1.730 10.338 1.00 0.00 O ATOM 1679 CB LYS A 109 4.902 0.250 12.621 1.00 0.00 C ATOM 1680 CG LYS A 109 4.946 -0.258 14.070 1.00 0.00 C ATOM 1681 CD LYS A 109 4.093 0.640 14.980 1.00 0.01 C ATOM 1682 CE LYS A 109 4.522 0.454 16.438 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.596 -1.003 16.751 1.00 0.01 N ATOM 0 H LYS A 109 3.789 -1.967 12.333 1.00 0.01 H new ATOM 0 HA LYS A 109 2.808 0.720 12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.598 -0.322 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.224 1.291 12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.579 -1.283 14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.976 -0.273 14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.207 1.684 14.688 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.038 0.391 14.867 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.492 0.923 16.606 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.811 0.944 17.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.381 -1.153 17.757 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.906 -1.519 16.168 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 5.553 -1.354 16.546 1.00 0.01 H new ATOM 1697 N ILE A 110 3.878 -0.193 9.679 1.00 0.00 N ATOM 1698 CA ILE A 110 3.855 0.247 8.258 1.00 0.00 C ATOM 1699 C ILE A 110 2.400 0.410 7.821 1.00 0.00 C ATOM 1700 O ILE A 110 2.041 1.397 7.217 1.00 0.00 O ATOM 1701 CB ILE A 110 4.554 -0.795 7.371 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.055 -0.876 7.716 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.384 -0.422 5.898 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.731 0.500 7.593 1.00 0.00 C ATOM 0 H ILE A 110 4.237 -1.134 9.841 1.00 0.00 H new ATOM 0 HA ILE A 110 4.382 1.196 8.157 1.00 0.00 H new ATOM 0 HB ILE A 110 4.098 -1.768 7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.177 -1.254 8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.546 -1.586 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.882 -1.165 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.323 -0.393 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.826 0.558 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.788 0.410 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.629 0.865 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.255 1.202 8.278 1.00 0.00 H new ATOM 1716 N PHE A 111 1.554 -0.535 8.138 1.00 0.00 N ATOM 1717 CA PHE A 111 0.121 -0.396 7.750 1.00 0.00 C ATOM 1718 C PHE A 111 -0.444 0.872 8.403 1.00 0.00 C ATOM 1719 O PHE A 111 -1.058 1.695 7.759 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.669 -1.635 8.240 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.920 -2.592 7.093 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.126 -2.949 6.238 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.204 -3.116 6.883 1.00 0.00 C ATOM 1724 CE1 PHE A 111 -0.108 -3.826 5.172 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.438 -3.992 5.821 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.392 -4.347 4.965 1.00 0.00 C ATOM 0 H PHE A 111 1.791 -1.389 8.644 1.00 0.00 H new ATOM 0 HA PHE A 111 0.032 -0.324 6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.111 -2.141 9.028 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.618 -1.320 8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.116 -2.548 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.013 -2.842 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.700 -4.101 4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.427 -4.395 5.661 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.574 -5.024 4.143 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.244 1.033 9.678 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.773 2.247 10.357 1.00 0.00 C ATOM 1738 C ASN A 112 -0.076 3.497 9.819 1.00 0.00 C ATOM 1739 O ASN A 112 -0.690 4.528 9.631 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.531 2.133 11.863 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.459 1.070 12.451 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.025 0.208 13.189 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.729 1.095 12.154 1.00 0.00 N ATOM 0 H ASN A 112 0.260 0.381 10.278 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.842 2.327 10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.509 1.870 12.056 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.711 3.094 12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.357 0.391 12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.094 1.819 11.534 1.00 0.00 H new ATOM 1750 N LEU A 113 1.208 3.422 9.585 1.00 0.00 N ATOM 1751 CA LEU A 113 1.945 4.615 9.080 1.00 0.00 C ATOM 1752 C LEU A 113 1.425 5.020 7.698 1.00 0.00 C ATOM 1753 O LEU A 113 0.993 6.138 7.493 1.00 0.00 O ATOM 1754 CB LEU A 113 3.442 4.283 8.996 1.00 0.00 C ATOM 1755 CG LEU A 113 4.249 5.528 8.525 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.560 5.631 9.315 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.587 5.414 7.031 1.00 0.00 C ATOM 0 H LEU A 113 1.777 2.586 9.722 1.00 0.00 H new ATOM 0 HA LEU A 113 1.789 5.448 9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.803 3.955 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.599 3.456 8.303 1.00 0.00 H new ATOM 0 HG LEU A 113 3.638 6.414 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.119 6.505 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.338 5.728 10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.156 4.733 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.151 6.292 6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.185 4.519 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.665 5.350 6.453 1.00 0.00 H new ATOM 1769 N MET A 114 1.460 4.128 6.746 1.00 0.00 N ATOM 1770 CA MET A 114 0.963 4.487 5.388 1.00 0.00 C ATOM 1771 C MET A 114 -0.528 4.807 5.478 1.00 0.00 C ATOM 1772 O MET A 114 -1.024 5.691 4.809 1.00 0.00 O ATOM 1773 CB MET A 114 1.203 3.318 4.419 1.00 0.00 C ATOM 1774 CG MET A 114 0.383 2.090 4.846 1.00 0.00 C ATOM 1775 SD MET A 114 1.255 0.576 4.356 1.00 0.00 S ATOM 1776 CE MET A 114 0.607 0.434 2.671 1.00 0.00 C ATOM 0 H MET A 114 1.808 3.175 6.848 1.00 0.00 H new ATOM 0 HA MET A 114 1.499 5.359 5.014 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.926 3.614 3.407 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.263 3.066 4.399 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.229 2.100 5.925 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.603 2.120 4.383 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.419 0.183 1.989 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.150 -0.349 2.637 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.162 1.383 2.371 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.244 4.100 6.307 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.699 4.374 6.448 1.00 0.00 C ATOM 1788 C GLU A 115 -2.902 5.798 6.986 1.00 0.00 C ATOM 1789 O GLU A 115 -3.804 6.505 6.593 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.326 3.374 7.422 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.828 3.646 7.531 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.481 2.566 8.394 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.763 1.704 8.871 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.689 2.615 8.555 1.00 0.01 O ATOM 0 H GLU A 115 -0.884 3.346 6.892 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.176 4.276 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.154 2.355 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.857 3.461 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.999 4.629 7.969 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.279 3.656 6.539 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.087 6.209 7.911 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.251 7.570 8.494 1.00 0.00 C ATOM 1803 C LYS A 116 -1.635 8.643 7.586 1.00 0.01 C ATOM 1804 O LYS A 116 -1.826 9.822 7.812 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.559 7.604 9.851 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.351 6.734 10.831 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.557 6.536 12.127 1.00 0.00 C ATOM 1808 CE LYS A 116 -1.660 7.787 13.004 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.094 8.090 13.279 1.00 0.00 N ATOM 0 H LYS A 116 -1.313 5.663 8.291 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.315 7.782 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.536 7.237 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.500 8.628 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.310 7.203 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.567 5.767 10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.939 5.671 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.512 6.330 11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.125 7.631 13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.189 8.633 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.176 8.586 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.473 8.693 12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.635 7.203 13.318 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.882 8.257 6.581 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.233 9.274 5.680 1.00 0.00 C ATOM 1825 C ASP A 117 -0.652 9.070 4.220 1.00 0.00 C ATOM 1826 O ASP A 117 -1.267 9.926 3.617 1.00 0.00 O ATOM 1827 CB ASP A 117 1.288 9.130 5.787 1.00 0.00 C ATOM 1828 CG ASP A 117 1.966 10.221 4.956 1.00 0.00 C ATOM 1829 OD1 ASP A 117 1.270 10.884 4.208 1.00 0.00 O ATOM 1830 OD2 ASP A 117 3.169 10.375 5.085 1.00 0.00 O ATOM 0 H ASP A 117 -0.687 7.284 6.344 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.551 10.268 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.598 9.207 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.596 8.146 5.434 1.00 0.00 H new ATOM 1835 N SER A 118 -0.298 7.958 3.638 1.00 0.00 N ATOM 1836 CA SER A 118 -0.648 7.722 2.205 1.00 0.00 C ATOM 1837 C SER A 118 -2.167 7.749 1.996 1.00 0.00 C ATOM 1838 O SER A 118 -2.654 8.360 1.067 1.00 0.01 O ATOM 1839 CB SER A 118 -0.099 6.361 1.776 1.00 0.00 C ATOM 1840 OG SER A 118 -0.830 5.333 2.430 1.00 0.00 O ATOM 0 H SER A 118 0.217 7.203 4.090 1.00 0.00 H new ATOM 0 HA SER A 118 -0.207 8.516 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.179 6.248 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.959 6.287 2.027 1.00 0.00 H new ATOM 0 HG SER A 118 -0.988 5.587 3.363 1.00 0.00 H new ATOM 1846 N TYR A 119 -2.918 7.093 2.835 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.404 7.083 2.655 1.00 0.00 C ATOM 1848 C TYR A 119 -4.953 8.512 2.710 1.00 0.01 C ATOM 1849 O TYR A 119 -5.669 8.944 1.829 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.039 6.246 3.789 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.667 4.985 3.249 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.917 4.122 2.446 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.997 4.678 3.556 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.500 2.955 1.950 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.574 3.512 3.059 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.822 2.651 2.255 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.387 1.498 1.761 1.00 0.00 O ATOM 0 H TYR A 119 -2.573 6.564 3.636 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.648 6.649 1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.278 5.990 4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.794 6.840 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.890 4.357 2.210 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.576 5.345 4.178 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.923 2.287 1.328 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.601 3.274 3.294 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.341 1.647 1.595 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.641 9.238 3.741 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.167 10.622 3.843 1.00 0.01 C ATOM 1869 C ARG A 120 -4.648 11.414 2.652 1.00 0.00 C ATOM 1870 O ARG A 120 -5.354 12.208 2.063 1.00 0.00 O ATOM 1871 CB ARG A 120 -4.691 11.265 5.153 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.134 10.409 6.352 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.621 10.644 6.664 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.003 9.888 7.906 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.854 8.592 7.999 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -6.530 7.885 6.951 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.084 7.993 9.136 1.00 0.01 N ATOM 0 H ARG A 120 -4.048 8.936 4.514 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.257 10.615 3.841 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.605 11.362 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.100 12.271 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -4.965 9.354 6.135 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -4.530 10.656 7.225 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -6.810 11.709 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.235 10.318 5.825 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.389 10.400 8.699 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -6.391 8.343 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.416 6.875 7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.379 8.536 9.948 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -6.969 6.982 9.212 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.423 11.192 2.283 1.00 0.00 N ATOM 1892 CA ARG A 121 -2.859 11.918 1.120 1.00 0.01 C ATOM 1893 C ARG A 121 -3.529 11.417 -0.163 1.00 0.01 C ATOM 1894 O ARG A 121 -3.811 12.183 -1.060 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.353 11.665 1.037 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.621 12.367 2.192 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.450 13.863 1.896 1.00 0.00 C ATOM 1898 NE ARG A 121 0.466 14.460 2.908 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.965 15.649 2.711 1.00 0.01 C ATOM 1900 NH1 ARG A 121 0.631 16.324 1.646 1.00 0.00 N ATOM 1901 NH2 ARG A 121 1.793 16.163 3.579 1.00 0.01 N ATOM 0 H ARG A 121 -2.787 10.537 2.738 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.040 12.986 1.237 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.156 10.593 1.073 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -0.970 12.028 0.083 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.182 12.236 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.356 11.907 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.046 14.004 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.417 14.364 1.923 1.00 0.00 H new ATOM 0 HE ARG A 121 0.702 13.940 3.753 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.019 15.922 0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.019 17.254 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.051 15.635 4.413 1.00 0.01 H new ATOM 0 HH22 ARG A 121 2.182 17.093 3.424 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.783 10.137 -0.265 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.427 9.611 -1.505 1.00 0.01 C ATOM 1917 C PHE A 122 -5.778 10.304 -1.704 1.00 0.01 C ATOM 1918 O PHE A 122 -6.057 10.845 -2.752 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.636 8.078 -1.371 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.733 7.337 -2.330 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.426 7.014 -1.955 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.208 6.980 -3.598 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -1.593 6.335 -2.848 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -3.373 6.300 -4.490 1.00 0.00 C ATOM 1925 CZ PHE A 122 -2.068 5.979 -4.115 1.00 0.00 C ATOM 0 H PHE A 122 -3.574 9.440 0.450 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.787 9.810 -2.365 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.427 7.764 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.677 7.827 -1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.060 7.289 -0.977 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.218 7.230 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.583 6.085 -2.560 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -3.738 6.024 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.423 5.454 -4.804 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.613 10.288 -0.707 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.941 10.940 -0.848 1.00 0.00 C ATOM 1937 C LEU A 123 -7.744 12.426 -1.148 1.00 0.01 C ATOM 1938 O LEU A 123 -8.450 13.006 -1.949 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.725 10.778 0.455 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.922 9.287 0.767 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.643 9.146 2.108 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.756 8.614 -0.337 1.00 0.01 C ATOM 0 H LEU A 123 -6.434 9.853 0.198 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.495 10.476 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.191 11.262 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.693 11.271 0.370 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.947 8.801 0.815 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.786 8.090 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.045 9.608 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.613 9.640 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.887 7.558 -0.101 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.732 9.095 -0.400 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.241 8.711 -1.293 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.792 13.050 -0.510 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.556 14.502 -0.759 1.00 0.01 C ATOM 1956 C LYS A 124 -5.707 14.690 -2.018 1.00 0.01 C ATOM 1957 O LYS A 124 -5.543 15.793 -2.502 1.00 0.01 O ATOM 1958 CB LYS A 124 -5.829 15.114 0.437 1.00 0.01 C ATOM 1959 CG LYS A 124 -6.720 15.008 1.674 1.00 0.01 C ATOM 1960 CD LYS A 124 -5.999 15.618 2.877 1.00 0.01 C ATOM 1961 CE LYS A 124 -6.887 15.515 4.120 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.292 15.865 3.767 1.00 0.01 N ATOM 0 H LYS A 124 -6.168 12.619 0.172 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.517 14.997 -0.899 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -4.885 14.596 0.608 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -5.588 16.158 0.236 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.663 15.526 1.501 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -6.962 13.964 1.873 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.056 15.100 3.049 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -5.757 16.662 2.677 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -6.845 14.504 4.525 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -6.520 16.185 4.897 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.803 16.157 4.624 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.293 16.646 3.080 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.762 15.036 3.350 1.00 0.01 H new ATOM 1976 N SER A 125 -5.156 13.634 -2.556 1.00 0.00 N ATOM 1977 CA SER A 125 -4.317 13.785 -3.781 1.00 0.01 C ATOM 1978 C SER A 125 -5.212 13.822 -5.019 1.00 0.01 C ATOM 1979 O SER A 125 -6.391 13.533 -4.960 1.00 0.01 O ATOM 1980 CB SER A 125 -3.340 12.615 -3.901 1.00 0.01 C ATOM 1981 OG SER A 125 -2.384 12.694 -2.853 1.00 0.01 O ATOM 0 H SER A 125 -5.249 12.681 -2.204 1.00 0.00 H new ATOM 0 HA SER A 125 -3.755 14.716 -3.706 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.879 11.669 -3.847 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.839 12.642 -4.869 1.00 0.01 H new ATOM 0 HG SER A 125 -2.827 12.980 -2.027 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.652 14.185 -6.138 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.448 14.256 -7.393 1.00 0.01 C ATOM 1989 C ARG A 126 -5.746 12.846 -7.914 1.00 0.00 C ATOM 1990 O ARG A 126 -6.731 12.622 -8.588 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.655 15.038 -8.447 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.179 14.549 -8.493 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.230 15.625 -7.938 1.00 0.01 C ATOM 1994 NE ARG A 126 -2.447 15.788 -6.472 1.00 0.00 N ATOM 1995 CZ ARG A 126 -1.532 16.354 -5.732 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.429 16.789 -6.273 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -1.724 16.487 -4.447 1.00 0.01 N ATOM 0 H ARG A 126 -3.669 14.438 -6.237 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.393 14.760 -7.190 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -5.117 14.911 -9.426 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.684 16.103 -8.216 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.076 13.632 -7.912 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.903 14.308 -9.520 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.195 15.344 -8.132 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.404 16.573 -8.447 1.00 0.01 H new ATOM 0 HE ARG A 126 -3.312 15.457 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.279 16.688 -7.277 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.284 17.231 -5.693 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -2.588 16.149 -4.023 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -1.010 16.929 -3.868 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.898 11.895 -7.622 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.138 10.511 -8.124 1.00 0.01 C ATOM 2013 C PHE A 127 -6.508 10.008 -7.662 1.00 0.01 C ATOM 2014 O PHE A 127 -7.354 9.673 -8.467 1.00 0.00 O ATOM 2015 CB PHE A 127 -4.049 9.574 -7.590 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.758 9.805 -8.343 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.495 9.080 -9.510 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.826 10.737 -7.872 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.300 9.286 -10.209 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.630 10.944 -8.572 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.368 10.218 -9.740 1.00 0.00 C ATOM 0 H PHE A 127 -4.055 12.016 -7.061 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.112 10.524 -9.214 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.896 9.750 -6.525 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.364 8.536 -7.700 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.215 8.361 -9.872 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.028 11.296 -6.970 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.098 8.726 -11.110 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.090 11.664 -8.211 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.554 10.377 -10.279 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.742 9.946 -6.381 1.00 0.01 N ATOM 2032 CA TYR A 128 -8.066 9.456 -5.906 1.00 0.01 C ATOM 2033 C TYR A 128 -9.162 10.389 -6.405 1.00 0.01 C ATOM 2034 O TYR A 128 -10.173 9.958 -6.919 1.00 0.00 O ATOM 2035 CB TYR A 128 -8.101 9.407 -4.379 1.00 0.00 C ATOM 2036 CG TYR A 128 -9.428 8.837 -3.934 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.565 7.460 -3.762 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.518 9.684 -3.692 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.788 6.919 -3.349 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.744 9.146 -3.278 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.878 7.762 -3.106 1.00 0.01 C ATOM 2042 OH TYR A 128 -13.083 7.230 -2.699 1.00 0.01 O ATOM 0 H TYR A 128 -6.082 10.210 -5.649 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.228 8.451 -6.296 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -7.283 8.793 -4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.964 10.407 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.724 6.808 -3.948 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -10.413 10.751 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.890 5.852 -3.218 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.585 9.798 -3.092 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.734 7.952 -2.573 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.974 11.667 -6.248 1.00 0.01 N ATOM 2053 CA LEU A 129 -10.015 12.631 -6.697 1.00 0.01 C ATOM 2054 C LEU A 129 -10.243 12.473 -8.201 1.00 0.01 C ATOM 2055 O LEU A 129 -11.365 12.398 -8.661 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.537 14.055 -6.411 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.341 14.253 -4.902 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.634 15.590 -4.658 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.703 14.239 -4.181 1.00 0.01 C ATOM 0 H LEU A 129 -8.145 12.087 -5.828 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.946 12.437 -6.164 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.600 14.244 -6.935 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.264 14.774 -6.788 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.732 13.440 -4.508 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.492 15.736 -3.587 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.664 15.585 -5.155 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.242 16.401 -5.058 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.550 14.380 -3.111 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.328 15.044 -4.568 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.196 13.282 -4.354 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.192 12.419 -8.972 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.359 12.261 -10.444 1.00 0.91 C ATOM 2073 C ASP A 130 -10.101 10.956 -10.743 1.00 1.05 C ATOM 2074 O ASP A 130 -11.013 10.916 -11.545 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.983 12.223 -11.114 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.348 13.616 -11.077 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.085 14.577 -10.935 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -6.138 13.696 -11.195 1.00 3.77 O ATOM 0 H ASP A 130 -8.227 12.477 -8.647 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.933 13.103 -10.831 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.340 11.507 -10.603 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.080 11.885 -12.146 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.707 9.883 -10.114 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.379 8.578 -10.369 1.00 1.68 C ATOM 2085 C LEU A 131 -11.801 8.580 -9.793 1.00 2.00 C ATOM 2086 O LEU A 131 -12.718 8.064 -10.399 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.566 7.456 -9.720 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.168 7.381 -10.353 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.270 6.485 -9.494 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.254 6.800 -11.778 1.00 3.54 C ATOM 0 H LEU A 131 -8.948 9.854 -9.434 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.441 8.418 -11.445 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.479 7.633 -8.648 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.082 6.504 -9.845 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.750 8.386 -10.406 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.277 6.430 -9.941 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.194 6.902 -8.490 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.699 5.485 -9.440 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.256 6.753 -12.213 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.679 5.797 -11.737 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.888 7.438 -12.393 1.00 3.54 H new ATOM 2102 N THR A 132 -11.994 9.153 -8.624 1.00 2.68 N ATOM 2103 CA THR A 132 -13.363 9.182 -8.004 1.00 3.30 C ATOM 2104 C THR A 132 -13.939 10.593 -8.091 1.00 3.72 C ATOM 2105 O THR A 132 -14.122 11.259 -7.091 1.00 3.94 O ATOM 2106 CB THR A 132 -13.281 8.763 -6.529 1.00 3.80 C ATOM 2107 OG1 THR A 132 -12.213 9.451 -5.896 1.00 4.04 O ATOM 2108 CG2 THR A 132 -13.049 7.253 -6.424 1.00 4.63 C ATOM 0 H THR A 132 -11.263 9.602 -8.073 1.00 2.68 H new ATOM 0 HA THR A 132 -14.007 8.488 -8.543 1.00 3.30 H new ATOM 0 HB THR A 132 -14.220 9.015 -6.037 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.885 8.921 -5.139 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.992 6.966 -5.374 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.874 6.724 -6.901 1.00 4.63 H new ATOM 0 HG23 THR A 132 -12.115 6.993 -6.922 1.00 4.63 H new ATOM 2116 N ASN A 133 -14.240 11.052 -9.273 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.822 12.418 -9.409 1.00 4.82 C ATOM 2118 C ASN A 133 -16.346 12.316 -9.188 1.00 5.34 C ATOM 2119 O ASN A 133 -16.980 11.452 -9.758 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.548 12.953 -10.818 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.066 13.317 -10.946 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -12.413 12.934 -11.897 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.504 14.044 -10.020 1.00 6.48 N ATOM 0 H ASN A 133 -14.109 10.544 -10.148 1.00 4.23 H new ATOM 0 HA ASN A 133 -14.376 13.093 -8.678 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.815 12.202 -11.562 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.167 13.829 -11.013 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.517 14.291 -10.094 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -13.052 14.366 -9.222 1.00 6.48 H new TER 2130 ASN A 133