USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 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 39 GLN : amide:sc= 0.131 X(o=0.21,f=0.013) USER MOD Set 1.2: A 95 TYR OH : rot 60:sc= 0.083 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 63:sc= 0.1 USER MOD Set 3.2: A 77 ASN : amide:sc= -6.65! C(o=-6.5!,f=-9.4!) USER MOD Set 4.1: A 33 HIS : no HD1:sc= -0.33 K(o=-2.8,f=-4.1) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -2.46! C(o=-4.5!,f=-2.8!) USER MOD Set 4.3: A 59 TYR OH : rot 180:sc= -0.0421 USER MOD Single : A 3 GLN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 5 GLN : amide:sc=-0.00484 X(o=-0.0048,f=-0.12) USER MOD Single : A 7 SER OG : rot 180:sc= -0.014 USER MOD Single : A 13 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.2) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00496 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0559 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 163:sc= -4.73! (180deg=-6.23!) USER MOD Single : A 49 SER OG : rot -103:sc= -1.74! USER MOD Single : A 50 THR OG1 : rot 100:sc= 0.2! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 90:sc= -1.45! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.451 USER MOD Single : A 74 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.047) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -2.06 F(o=-3.4!,f=-2.1) USER MOD Single : A 83 MET CE :methyl 145:sc= -4.23! (180deg=-5.88!) USER MOD Single : A 84 ASN : amide:sc= -1.53 K(o=-1.5,f=-3!) USER MOD Single : A 85 SER OG : rot 125:sc= -0.92 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 94 TYR OH : rot 158:sc= 1.75 USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= -0.436! (180deg=-1.18!) USER MOD Single : A 99 TYR OH : rot -148:sc= 0.148 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.437 F(o=-2.9!,f=-0.44) USER MOD Single : A 111 THR OG1 : rot 80:sc= 0.326 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -9.492 -8.532 6.279 1.00 0.00 N ATOM 16 CA VAL A 2 -8.585 -8.858 5.185 1.00 0.00 C ATOM 17 C VAL A 2 -7.133 -8.853 5.651 1.00 0.00 C ATOM 18 O VAL A 2 -6.690 -7.925 6.329 1.00 0.00 O ATOM 19 CB VAL A 2 -8.742 -7.872 4.009 1.00 0.00 C ATOM 20 CG1 VAL A 2 -10.159 -7.907 3.465 1.00 0.00 C ATOM 21 CG2 VAL A 2 -8.372 -6.461 4.434 1.00 0.00 C ATOM 0 HA VAL A 2 -8.849 -9.860 4.845 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.060 -8.181 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.248 -7.204 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.389 -8.913 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.858 -7.629 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.490 -5.783 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.024 -6.143 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.336 -6.443 4.771 1.00 0.00 H new ATOM 31 N GLN A 3 -6.393 -9.892 5.280 1.00 0.00 N ATOM 32 CA GLN A 3 -4.987 -10.001 5.655 1.00 0.00 C ATOM 33 C GLN A 3 -4.117 -10.164 4.416 1.00 0.00 C ATOM 34 O GLN A 3 -4.520 -10.800 3.443 1.00 0.00 O ATOM 35 CB GLN A 3 -4.771 -11.177 6.605 1.00 0.00 C ATOM 36 CG GLN A 3 -4.006 -10.801 7.862 1.00 0.00 C ATOM 37 CD GLN A 3 -2.617 -11.410 7.903 1.00 0.00 C ATOM 38 OE1 GLN A 3 -2.440 -12.551 8.329 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.625 -10.648 7.457 1.00 0.00 N ATOM 0 H GLN A 3 -6.742 -10.670 4.721 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.700 -9.083 6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.740 -11.590 6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.230 -11.964 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.925 -9.716 7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.568 -11.128 8.737 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.819 -9.708 7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.669 -11.003 7.458 1.00 0.00 H new ATOM 48 N LEU A 4 -2.925 -9.575 4.452 1.00 0.00 N ATOM 49 CA LEU A 4 -2.009 -9.647 3.321 1.00 0.00 C ATOM 50 C LEU A 4 -0.620 -10.088 3.773 1.00 0.00 C ATOM 51 O LEU A 4 -0.382 -10.288 4.964 1.00 0.00 O ATOM 52 CB LEU A 4 -1.942 -8.285 2.619 1.00 0.00 C ATOM 53 CG LEU A 4 -3.048 -7.301 3.020 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.688 -5.885 2.607 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.379 -7.703 2.407 1.00 0.00 C ATOM 0 H LEU A 4 -2.573 -9.045 5.249 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.382 -10.390 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.975 -7.829 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.989 -8.444 1.542 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.143 -7.332 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.488 -5.206 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.760 -5.588 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.557 -5.844 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.147 -6.990 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.292 -7.709 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.653 -8.699 2.754 1.00 0.00 H new ATOM 67 N GLN A 5 0.291 -10.247 2.816 1.00 0.00 N ATOM 68 CA GLN A 5 1.655 -10.671 3.121 1.00 0.00 C ATOM 69 C GLN A 5 2.654 -10.005 2.181 1.00 0.00 C ATOM 70 O GLN A 5 2.563 -10.148 0.962 1.00 0.00 O ATOM 71 CB GLN A 5 1.787 -12.196 3.023 1.00 0.00 C ATOM 72 CG GLN A 5 0.544 -12.892 2.489 1.00 0.00 C ATOM 73 CD GLN A 5 -0.047 -13.871 3.485 1.00 0.00 C ATOM 74 OE1 GLN A 5 -0.188 -13.561 4.668 1.00 0.00 O ATOM 75 NE2 GLN A 5 -0.394 -15.061 3.010 1.00 0.00 N ATOM 0 H GLN A 5 0.110 -10.089 1.825 1.00 0.00 H new ATOM 0 HA GLN A 5 1.876 -10.364 4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.631 -12.436 2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.018 -12.595 4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.205 -12.143 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.795 -13.421 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.259 -15.275 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.796 -15.762 3.633 1.00 0.00 H new ATOM 84 N ALA A 6 3.605 -9.273 2.755 1.00 0.00 N ATOM 85 CA ALA A 6 4.618 -8.581 1.965 1.00 0.00 C ATOM 86 C ALA A 6 5.932 -9.355 1.941 1.00 0.00 C ATOM 87 O ALA A 6 6.301 -10.004 2.920 1.00 0.00 O ATOM 88 CB ALA A 6 4.842 -7.177 2.508 1.00 0.00 C ATOM 0 H ALA A 6 3.695 -9.144 3.763 1.00 0.00 H new ATOM 0 HA ALA A 6 4.253 -8.512 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.600 -6.672 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.909 -6.615 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.178 -7.237 3.543 1.00 0.00 H new ATOM 94 N SER A 7 6.632 -9.278 0.812 1.00 0.00 N ATOM 95 CA SER A 7 7.908 -9.967 0.645 1.00 0.00 C ATOM 96 C SER A 7 8.612 -9.495 -0.624 1.00 0.00 C ATOM 97 O SER A 7 8.093 -8.654 -1.356 1.00 0.00 O ATOM 98 CB SER A 7 7.692 -11.480 0.588 1.00 0.00 C ATOM 99 OG SER A 7 8.923 -12.177 0.680 1.00 0.00 O ATOM 0 H SER A 7 6.335 -8.743 -0.004 1.00 0.00 H new ATOM 0 HA SER A 7 8.538 -9.731 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.035 -11.787 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.190 -11.744 -0.343 1.00 0.00 H new ATOM 0 HG SER A 7 8.756 -13.142 0.643 1.00 0.00 H new ATOM 105 N GLY A 8 9.796 -10.040 -0.880 1.00 0.00 N ATOM 106 CA GLY A 8 10.544 -9.658 -2.065 1.00 0.00 C ATOM 107 C GLY A 8 11.716 -8.750 -1.748 1.00 0.00 C ATOM 108 O GLY A 8 12.638 -8.617 -2.554 1.00 0.00 O ATOM 0 H GLY A 8 10.251 -10.737 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.909 -10.555 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.877 -9.153 -2.764 1.00 0.00 H new ATOM 112 N GLY A 9 11.679 -8.123 -0.574 1.00 0.00 N ATOM 113 CA GLY A 9 12.749 -7.230 -0.168 1.00 0.00 C ATOM 114 C GLY A 9 14.119 -7.865 -0.295 1.00 0.00 C ATOM 115 O GLY A 9 14.239 -9.087 -0.393 1.00 0.00 O ATOM 0 H GLY A 9 10.924 -8.219 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.714 -6.327 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.589 -6.924 0.866 1.00 0.00 H new ATOM 119 N GLY A 10 15.155 -7.034 -0.299 1.00 0.00 N ATOM 120 CA GLY A 10 16.511 -7.536 -0.425 1.00 0.00 C ATOM 121 C GLY A 10 17.560 -6.471 -0.167 1.00 0.00 C ATOM 122 O GLY A 10 17.235 -5.350 0.231 1.00 0.00 O ATOM 0 H GLY A 10 15.080 -6.020 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.655 -8.358 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.651 -7.942 -1.427 1.00 0.00 H new ATOM 126 N LEU A 11 18.823 -6.825 -0.390 1.00 0.00 N ATOM 127 CA LEU A 11 19.928 -5.897 -0.182 1.00 0.00 C ATOM 128 C LEU A 11 20.346 -5.251 -1.501 1.00 0.00 C ATOM 129 O LEU A 11 20.605 -5.941 -2.487 1.00 0.00 O ATOM 130 CB LEU A 11 21.117 -6.621 0.454 1.00 0.00 C ATOM 131 CG LEU A 11 20.754 -7.587 1.585 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.985 -8.340 2.064 1.00 0.00 C ATOM 133 CD2 LEU A 11 20.108 -6.836 2.738 1.00 0.00 C ATOM 0 H LEU A 11 19.106 -7.750 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 11 19.593 -5.111 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.644 -7.176 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.812 -5.876 0.841 1.00 0.00 H new ATOM 0 HG LEU A 11 20.038 -8.312 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.705 -9.021 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.408 -8.910 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 11 22.726 -7.630 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.856 -7.537 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.803 -6.088 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.201 -6.343 2.388 1.00 0.00 H new ATOM 145 N VAL A 12 20.400 -3.922 -1.511 1.00 0.00 N ATOM 146 CA VAL A 12 20.775 -3.179 -2.711 1.00 0.00 C ATOM 147 C VAL A 12 22.115 -2.478 -2.540 1.00 0.00 C ATOM 148 O VAL A 12 22.782 -2.625 -1.518 1.00 0.00 O ATOM 149 CB VAL A 12 19.711 -2.118 -3.070 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.312 -2.665 -2.841 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.928 -0.837 -2.268 1.00 0.00 C ATOM 0 H VAL A 12 20.189 -3.337 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 12 20.850 -3.911 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 12 19.816 -1.876 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.577 -1.903 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.158 -3.545 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.196 -2.940 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.167 -0.105 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.857 -1.058 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.915 -0.432 -2.489 1.00 0.00 H new ATOM 161 N GLN A 13 22.482 -1.689 -3.543 1.00 0.00 N ATOM 162 CA GLN A 13 23.721 -0.931 -3.505 1.00 0.00 C ATOM 163 C GLN A 13 23.400 0.544 -3.304 1.00 0.00 C ATOM 164 O GLN A 13 22.650 1.122 -4.085 1.00 0.00 O ATOM 165 CB GLN A 13 24.526 -1.122 -4.794 1.00 0.00 C ATOM 166 CG GLN A 13 24.027 -2.256 -5.676 1.00 0.00 C ATOM 167 CD GLN A 13 23.728 -1.802 -7.093 1.00 0.00 C ATOM 168 OE1 GLN A 13 24.477 -1.017 -7.674 1.00 0.00 O ATOM 169 NE2 GLN A 13 22.630 -2.294 -7.653 1.00 0.00 N ATOM 0 H GLN A 13 21.935 -1.559 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 13 24.328 -1.294 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.502 -0.194 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.568 -1.310 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.775 -3.048 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.126 -2.684 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 13 22.039 -2.942 -7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.377 -2.024 -8.604 1.00 0.00 H new ATOM 178 N PRO A 14 23.951 1.167 -2.247 1.00 0.00 N ATOM 179 CA PRO A 14 23.715 2.577 -1.934 1.00 0.00 C ATOM 180 C PRO A 14 23.546 3.449 -3.175 1.00 0.00 C ATOM 181 O PRO A 14 24.522 3.925 -3.754 1.00 0.00 O ATOM 182 CB PRO A 14 24.976 2.947 -1.166 1.00 0.00 C ATOM 183 CG PRO A 14 25.314 1.703 -0.412 1.00 0.00 C ATOM 184 CD PRO A 14 24.851 0.543 -1.260 1.00 0.00 C ATOM 0 HA PRO A 14 22.788 2.734 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.783 3.238 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 14 24.802 3.787 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 14 26.386 1.643 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 14 24.821 1.693 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.689 0.041 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.332 -0.207 -0.663 1.00 0.00 H new ATOM 192 N GLY A 15 22.292 3.643 -3.576 1.00 0.00 N ATOM 193 CA GLY A 15 21.994 4.447 -4.745 1.00 0.00 C ATOM 194 C GLY A 15 21.420 3.622 -5.882 1.00 0.00 C ATOM 195 O GLY A 15 21.374 4.076 -7.026 1.00 0.00 O ATOM 0 H GLY A 15 21.474 3.254 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.286 5.230 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.904 4.944 -5.083 1.00 0.00 H new ATOM 199 N GLY A 16 20.985 2.403 -5.568 1.00 0.00 N ATOM 200 CA GLY A 16 20.423 1.529 -6.581 1.00 0.00 C ATOM 201 C GLY A 16 18.908 1.561 -6.607 1.00 0.00 C ATOM 202 O GLY A 16 18.301 2.632 -6.579 1.00 0.00 O ATOM 0 H GLY A 16 21.013 2.006 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.805 1.821 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.758 0.508 -6.400 1.00 0.00 H new ATOM 206 N SER A 17 18.298 0.381 -6.659 1.00 0.00 N ATOM 207 CA SER A 17 16.845 0.267 -6.690 1.00 0.00 C ATOM 208 C SER A 17 16.401 -1.120 -6.239 1.00 0.00 C ATOM 209 O SER A 17 17.176 -2.075 -6.289 1.00 0.00 O ATOM 210 CB SER A 17 16.318 0.551 -8.098 1.00 0.00 C ATOM 211 OG SER A 17 17.370 0.552 -9.048 1.00 0.00 O ATOM 0 H SER A 17 18.790 -0.512 -6.681 1.00 0.00 H new ATOM 0 HA SER A 17 16.433 1.004 -6.001 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.578 -0.202 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.811 1.516 -8.112 1.00 0.00 H new ATOM 0 HG SER A 17 17.006 0.735 -9.939 1.00 0.00 H new ATOM 217 N LEU A 18 15.151 -1.224 -5.799 1.00 0.00 N ATOM 218 CA LEU A 18 14.610 -2.499 -5.339 1.00 0.00 C ATOM 219 C LEU A 18 13.096 -2.553 -5.507 1.00 0.00 C ATOM 220 O LEU A 18 12.375 -1.697 -4.997 1.00 0.00 O ATOM 221 CB LEU A 18 14.969 -2.733 -3.869 1.00 0.00 C ATOM 222 CG LEU A 18 15.327 -4.177 -3.502 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.413 -4.333 -1.993 1.00 0.00 C ATOM 224 CD2 LEU A 18 14.311 -5.155 -4.078 1.00 0.00 C ATOM 0 H LEU A 18 14.495 -0.444 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 18 15.054 -3.284 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.811 -2.091 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.128 -2.417 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 18 16.301 -4.405 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.668 -5.364 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.181 -3.666 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.451 -4.081 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.589 -6.172 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.322 -4.929 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.294 -5.065 -5.164 1.00 0.00 H new ATOM 236 N ARG A 19 12.620 -3.576 -6.207 1.00 0.00 N ATOM 237 CA ARG A 19 11.190 -3.751 -6.423 1.00 0.00 C ATOM 238 C ARG A 19 10.656 -4.869 -5.538 1.00 0.00 C ATOM 239 O ARG A 19 11.116 -6.009 -5.614 1.00 0.00 O ATOM 240 CB ARG A 19 10.894 -4.066 -7.891 1.00 0.00 C ATOM 241 CG ARG A 19 9.450 -4.474 -8.143 1.00 0.00 C ATOM 242 CD ARG A 19 9.225 -4.884 -9.589 1.00 0.00 C ATOM 243 NE ARG A 19 8.493 -6.143 -9.694 1.00 0.00 N ATOM 244 CZ ARG A 19 9.018 -7.264 -10.177 1.00 0.00 C ATOM 245 NH1 ARG A 19 10.282 -7.286 -10.580 1.00 0.00 N ATOM 246 NH2 ARG A 19 8.282 -8.364 -10.251 1.00 0.00 N ATOM 0 H ARG A 19 13.203 -4.296 -6.634 1.00 0.00 H new ATOM 0 HA ARG A 19 10.692 -2.817 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.127 -3.190 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.553 -4.868 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.186 -5.302 -7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.789 -3.644 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.673 -4.100 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.187 -4.981 -10.092 1.00 0.00 H new ATOM 0 HE ARG A 19 7.523 -6.163 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.851 -6.442 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.684 -8.147 -10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.312 -8.350 -9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.686 -9.224 -10.622 1.00 0.00 H new ATOM 260 N VAL A 20 9.687 -4.535 -4.696 1.00 0.00 N ATOM 261 CA VAL A 20 9.097 -5.512 -3.794 1.00 0.00 C ATOM 262 C VAL A 20 7.620 -5.722 -4.113 1.00 0.00 C ATOM 263 O VAL A 20 7.003 -4.904 -4.797 1.00 0.00 O ATOM 264 CB VAL A 20 9.260 -5.082 -2.323 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.678 -4.596 -2.067 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.249 -4.004 -1.959 1.00 0.00 C ATOM 0 H VAL A 20 9.294 -3.597 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 20 9.626 -6.454 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 20 9.072 -5.949 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.777 -4.296 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.382 -5.400 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.892 -3.744 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.383 -3.716 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.399 -3.134 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.239 -4.389 -2.102 1.00 0.00 H new ATOM 276 N SER A 21 7.058 -6.823 -3.626 1.00 0.00 N ATOM 277 CA SER A 21 5.654 -7.132 -3.876 1.00 0.00 C ATOM 278 C SER A 21 4.973 -7.670 -2.625 1.00 0.00 C ATOM 279 O SER A 21 5.630 -8.128 -1.692 1.00 0.00 O ATOM 280 CB SER A 21 5.529 -8.149 -5.013 1.00 0.00 C ATOM 281 OG SER A 21 5.932 -9.440 -4.588 1.00 0.00 O ATOM 0 H SER A 21 7.550 -7.513 -3.059 1.00 0.00 H new ATOM 0 HA SER A 21 5.156 -6.206 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.497 -8.183 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.142 -7.833 -5.857 1.00 0.00 H new ATOM 0 HG SER A 21 5.841 -10.072 -5.331 1.00 0.00 H new ATOM 287 N CYS A 22 3.648 -7.613 -2.618 1.00 0.00 N ATOM 288 CA CYS A 22 2.861 -8.094 -1.491 1.00 0.00 C ATOM 289 C CYS A 22 1.706 -8.954 -1.984 1.00 0.00 C ATOM 290 O CYS A 22 0.802 -8.466 -2.661 1.00 0.00 O ATOM 291 CB CYS A 22 2.334 -6.914 -0.676 1.00 0.00 C ATOM 292 SG CYS A 22 1.383 -7.392 0.800 1.00 0.00 S ATOM 0 H CYS A 22 3.093 -7.236 -3.386 1.00 0.00 H new ATOM 0 HA CYS A 22 3.500 -8.703 -0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.176 -6.295 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.704 -6.297 -1.317 1.00 0.00 H new ATOM 297 N ALA A 23 1.750 -10.241 -1.657 1.00 0.00 N ATOM 298 CA ALA A 23 0.717 -11.174 -2.088 1.00 0.00 C ATOM 299 C ALA A 23 -0.489 -11.163 -1.153 1.00 0.00 C ATOM 300 O ALA A 23 -0.538 -11.911 -0.177 1.00 0.00 O ATOM 301 CB ALA A 23 1.294 -12.578 -2.193 1.00 0.00 C ATOM 0 H ALA A 23 2.490 -10.661 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 23 0.369 -10.852 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.515 -13.268 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.107 -12.584 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.674 -12.889 -1.220 1.00 0.00 H new ATOM 307 N ALA A 24 -1.468 -10.321 -1.474 1.00 0.00 N ATOM 308 CA ALA A 24 -2.686 -10.218 -0.680 1.00 0.00 C ATOM 309 C ALA A 24 -3.765 -11.135 -1.241 1.00 0.00 C ATOM 310 O ALA A 24 -3.570 -11.763 -2.280 1.00 0.00 O ATOM 311 CB ALA A 24 -3.178 -8.780 -0.650 1.00 0.00 C ATOM 0 H ALA A 24 -1.440 -9.699 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.462 -10.530 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.088 -8.719 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.412 -8.142 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.387 -8.446 -1.666 1.00 0.00 H new ATOM 317 N SER A 25 -4.904 -11.208 -0.553 1.00 0.00 N ATOM 318 CA SER A 25 -6.010 -12.054 -0.995 1.00 0.00 C ATOM 319 C SER A 25 -7.190 -11.972 -0.034 1.00 0.00 C ATOM 320 O SER A 25 -7.094 -12.401 1.115 1.00 0.00 O ATOM 321 CB SER A 25 -5.554 -13.510 -1.117 1.00 0.00 C ATOM 322 OG SER A 25 -5.557 -13.934 -2.469 1.00 0.00 O ATOM 0 H SER A 25 -5.084 -10.693 0.309 1.00 0.00 H new ATOM 0 HA SER A 25 -6.331 -11.690 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.552 -13.616 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.212 -14.151 -0.530 1.00 0.00 H new ATOM 0 HG SER A 25 -4.911 -13.403 -2.980 1.00 0.00 H new ATOM 328 N GLY A 26 -8.311 -11.437 -0.515 1.00 0.00 N ATOM 329 CA GLY A 26 -9.491 -11.337 0.323 1.00 0.00 C ATOM 330 C GLY A 26 -10.280 -10.056 0.118 1.00 0.00 C ATOM 331 O GLY A 26 -11.297 -9.847 0.778 1.00 0.00 O ATOM 0 H GLY A 26 -8.421 -11.074 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.141 -12.189 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.190 -11.404 1.368 1.00 0.00 H new ATOM 335 N PHE A 27 -9.825 -9.191 -0.787 1.00 0.00 N ATOM 336 CA PHE A 27 -10.532 -7.937 -1.033 1.00 0.00 C ATOM 337 C PHE A 27 -10.277 -7.390 -2.440 1.00 0.00 C ATOM 338 O PHE A 27 -11.099 -6.643 -2.974 1.00 0.00 O ATOM 339 CB PHE A 27 -10.158 -6.902 0.039 1.00 0.00 C ATOM 340 CG PHE A 27 -8.898 -6.120 -0.235 1.00 0.00 C ATOM 341 CD1 PHE A 27 -7.746 -6.742 -0.700 1.00 0.00 C ATOM 342 CD2 PHE A 27 -8.871 -4.753 -0.018 1.00 0.00 C ATOM 343 CE1 PHE A 27 -6.601 -6.010 -0.947 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.729 -4.018 -0.261 1.00 0.00 C ATOM 345 CZ PHE A 27 -6.594 -4.645 -0.727 1.00 0.00 C ATOM 0 H PHE A 27 -8.987 -9.331 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.601 -8.143 -0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -10.985 -6.201 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.047 -7.416 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.746 -7.809 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.757 -4.255 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.712 -6.503 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.725 -2.952 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.700 -4.071 -0.920 1.00 0.00 H new ATOM 355 N THR A 28 -9.148 -7.766 -3.038 1.00 0.00 N ATOM 356 CA THR A 28 -8.801 -7.310 -4.385 1.00 0.00 C ATOM 357 C THR A 28 -8.650 -5.789 -4.442 1.00 0.00 C ATOM 358 O THR A 28 -9.133 -5.071 -3.565 1.00 0.00 O ATOM 359 CB THR A 28 -9.865 -7.754 -5.411 1.00 0.00 C ATOM 360 OG1 THR A 28 -10.246 -9.113 -5.162 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.344 -7.623 -6.834 1.00 0.00 C ATOM 0 H THR A 28 -8.458 -8.385 -2.612 1.00 0.00 H new ATOM 0 HA THR A 28 -7.844 -7.767 -4.637 1.00 0.00 H new ATOM 0 HB THR A 28 -10.733 -7.103 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.923 -9.388 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.115 -7.943 -7.535 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.083 -6.583 -7.032 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.460 -8.249 -6.957 1.00 0.00 H new ATOM 369 N PHE A 29 -7.974 -5.302 -5.481 1.00 0.00 N ATOM 370 CA PHE A 29 -7.762 -3.866 -5.651 1.00 0.00 C ATOM 371 C PHE A 29 -8.659 -3.303 -6.749 1.00 0.00 C ATOM 372 O PHE A 29 -9.673 -3.903 -7.106 1.00 0.00 O ATOM 373 CB PHE A 29 -6.300 -3.569 -5.988 1.00 0.00 C ATOM 374 CG PHE A 29 -5.329 -4.558 -5.416 1.00 0.00 C ATOM 375 CD1 PHE A 29 -5.248 -4.760 -4.048 1.00 0.00 C ATOM 376 CD2 PHE A 29 -4.491 -5.279 -6.248 1.00 0.00 C ATOM 377 CE1 PHE A 29 -4.351 -5.666 -3.522 1.00 0.00 C ATOM 378 CE2 PHE A 29 -3.592 -6.187 -5.727 1.00 0.00 C ATOM 379 CZ PHE A 29 -3.521 -6.380 -4.361 1.00 0.00 C ATOM 0 H PHE A 29 -7.565 -5.879 -6.216 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.017 -3.385 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.185 -3.547 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.048 -2.574 -5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.894 -4.202 -3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.541 -5.130 -7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.298 -5.816 -2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.945 -6.746 -6.386 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.817 -7.089 -3.951 1.00 0.00 H new ATOM 389 N SER A 30 -8.275 -2.135 -7.271 1.00 0.00 N ATOM 390 CA SER A 30 -9.030 -1.461 -8.326 1.00 0.00 C ATOM 391 C SER A 30 -10.391 -0.994 -7.813 1.00 0.00 C ATOM 392 O SER A 30 -11.117 -0.281 -8.506 1.00 0.00 O ATOM 393 CB SER A 30 -9.205 -2.383 -9.538 1.00 0.00 C ATOM 394 OG SER A 30 -10.543 -2.368 -10.009 1.00 0.00 O ATOM 0 H SER A 30 -7.437 -1.634 -6.975 1.00 0.00 H new ATOM 0 HA SER A 30 -8.463 -0.583 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.533 -2.069 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.924 -3.401 -9.267 1.00 0.00 H new ATOM 0 HG SER A 30 -10.624 -2.964 -10.783 1.00 0.00 H new ATOM 400 N SER A 31 -10.723 -1.393 -6.588 1.00 0.00 N ATOM 401 CA SER A 31 -11.984 -1.014 -5.965 1.00 0.00 C ATOM 402 C SER A 31 -11.735 -0.556 -4.535 1.00 0.00 C ATOM 403 O SER A 31 -12.477 0.262 -3.991 1.00 0.00 O ATOM 404 CB SER A 31 -12.962 -2.191 -5.978 1.00 0.00 C ATOM 405 OG SER A 31 -13.446 -2.438 -7.286 1.00 0.00 O ATOM 0 H SER A 31 -10.130 -1.983 -6.005 1.00 0.00 H new ATOM 0 HA SER A 31 -12.424 -0.193 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.467 -3.084 -5.596 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.798 -1.980 -5.311 1.00 0.00 H new ATOM 0 HG SER A 31 -14.067 -3.196 -7.267 1.00 0.00 H new ATOM 411 N TYR A 32 -10.672 -1.086 -3.937 1.00 0.00 N ATOM 412 CA TYR A 32 -10.300 -0.734 -2.577 1.00 0.00 C ATOM 413 C TYR A 32 -9.054 0.142 -2.581 1.00 0.00 C ATOM 414 O TYR A 32 -8.410 0.314 -3.616 1.00 0.00 O ATOM 415 CB TYR A 32 -10.029 -1.996 -1.758 1.00 0.00 C ATOM 416 CG TYR A 32 -11.267 -2.623 -1.160 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.989 -1.976 -0.166 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.709 -3.869 -1.585 1.00 0.00 C ATOM 419 CE1 TYR A 32 -13.115 -2.554 0.389 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.834 -4.453 -1.039 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.534 -3.792 -0.052 1.00 0.00 C ATOM 422 OH TYR A 32 -14.654 -4.371 0.497 1.00 0.00 O ATOM 0 H TYR A 32 -10.052 -1.765 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 32 -11.126 -0.184 -2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.535 -2.730 -2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.334 -1.752 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.665 -1.005 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.162 -4.391 -2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.664 -2.039 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.164 -5.422 -1.383 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.813 -5.241 0.075 1.00 0.00 H new ATOM 432 N HIS A 33 -8.712 0.683 -1.421 1.00 0.00 N ATOM 433 CA HIS A 33 -7.534 1.529 -1.297 1.00 0.00 C ATOM 434 C HIS A 33 -6.378 0.741 -0.693 1.00 0.00 C ATOM 435 O HIS A 33 -6.548 0.043 0.305 1.00 0.00 O ATOM 436 CB HIS A 33 -7.842 2.757 -0.436 1.00 0.00 C ATOM 437 CG HIS A 33 -7.919 4.031 -1.219 1.00 0.00 C ATOM 438 ND1 HIS A 33 -6.817 4.813 -1.495 1.00 0.00 N ATOM 439 CD2 HIS A 33 -8.976 4.657 -1.791 1.00 0.00 C ATOM 440 CE1 HIS A 33 -7.193 5.865 -2.201 1.00 0.00 C ATOM 441 NE2 HIS A 33 -8.496 5.793 -2.394 1.00 0.00 N ATOM 0 H HIS A 33 -9.232 0.552 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.247 1.867 -2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.788 2.600 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.073 2.856 0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.003 4.325 -1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.544 6.650 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.057 6.472 -2.909 1.00 0.00 H new ATOM 450 N MET A 34 -5.204 0.851 -1.306 1.00 0.00 N ATOM 451 CA MET A 34 -4.022 0.145 -0.823 1.00 0.00 C ATOM 452 C MET A 34 -2.867 1.112 -0.622 1.00 0.00 C ATOM 453 O MET A 34 -2.933 2.266 -1.046 1.00 0.00 O ATOM 454 CB MET A 34 -3.607 -0.950 -1.805 1.00 0.00 C ATOM 455 CG MET A 34 -4.101 -2.333 -1.416 1.00 0.00 C ATOM 456 SD MET A 34 -3.164 -3.042 -0.050 1.00 0.00 S ATOM 457 CE MET A 34 -2.858 -4.696 -0.662 1.00 0.00 C ATOM 0 H MET A 34 -5.045 1.421 -2.137 1.00 0.00 H new ATOM 0 HA MET A 34 -4.274 -0.314 0.133 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.988 -0.702 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.520 -0.969 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.153 -2.275 -1.139 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.035 -2.995 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.052 -5.153 -0.088 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.763 -5.295 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.572 -4.648 -1.713 1.00 0.00 H new ATOM 467 N ALA A 35 -1.808 0.642 0.029 1.00 0.00 N ATOM 468 CA ALA A 35 -0.649 1.485 0.280 1.00 0.00 C ATOM 469 C ALA A 35 0.579 0.672 0.666 1.00 0.00 C ATOM 470 O ALA A 35 0.472 -0.383 1.291 1.00 0.00 O ATOM 471 CB ALA A 35 -0.971 2.492 1.370 1.00 0.00 C ATOM 0 H ALA A 35 -1.730 -0.309 0.389 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.414 2.008 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.100 3.120 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.808 3.115 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.237 1.964 2.286 1.00 0.00 H new ATOM 477 N TRP A 36 1.748 1.194 0.309 1.00 0.00 N ATOM 478 CA TRP A 36 3.014 0.551 0.632 1.00 0.00 C ATOM 479 C TRP A 36 3.672 1.298 1.783 1.00 0.00 C ATOM 480 O TRP A 36 4.111 2.436 1.618 1.00 0.00 O ATOM 481 CB TRP A 36 3.938 0.538 -0.587 1.00 0.00 C ATOM 482 CG TRP A 36 3.871 -0.737 -1.367 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.322 -0.913 -2.604 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.369 -2.016 -0.960 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.445 -2.225 -2.993 1.00 0.00 N ATOM 486 CE2 TRP A 36 4.087 -2.922 -2.000 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.026 -2.481 0.181 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.440 -4.267 -1.929 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.377 -3.817 0.250 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.083 -4.695 -0.800 1.00 0.00 C ATOM 0 H TRP A 36 1.843 2.068 -0.208 1.00 0.00 H new ATOM 0 HA TRP A 36 2.827 -0.482 0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.677 1.370 -1.241 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.964 0.701 -0.258 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.858 -0.134 -3.192 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.114 -2.617 -3.875 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.256 -1.809 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.214 -4.948 -2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.886 -4.189 1.127 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.370 -5.733 -0.717 1.00 0.00 H new ATOM 501 N VAL A 37 3.702 0.667 2.951 1.00 0.00 N ATOM 502 CA VAL A 37 4.263 1.287 4.146 1.00 0.00 C ATOM 503 C VAL A 37 5.652 0.757 4.479 1.00 0.00 C ATOM 504 O VAL A 37 6.086 -0.269 3.953 1.00 0.00 O ATOM 505 CB VAL A 37 3.335 1.068 5.360 1.00 0.00 C ATOM 506 CG1 VAL A 37 1.883 1.248 4.956 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.546 -0.311 5.960 1.00 0.00 C ATOM 0 H VAL A 37 3.343 -0.277 3.096 1.00 0.00 H new ATOM 0 HA VAL A 37 4.349 2.352 3.930 1.00 0.00 H new ATOM 0 HB VAL A 37 3.584 1.813 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.242 1.090 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.734 2.258 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.629 0.525 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.881 -0.442 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.328 -1.071 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.581 -0.411 6.287 1.00 0.00 H new ATOM 517 N ARG A 38 6.342 1.477 5.359 1.00 0.00 N ATOM 518 CA ARG A 38 7.686 1.109 5.783 1.00 0.00 C ATOM 519 C ARG A 38 7.884 1.429 7.262 1.00 0.00 C ATOM 520 O ARG A 38 7.304 2.382 7.781 1.00 0.00 O ATOM 521 CB ARG A 38 8.719 1.853 4.932 1.00 0.00 C ATOM 522 CG ARG A 38 10.083 1.990 5.588 1.00 0.00 C ATOM 523 CD ARG A 38 10.800 3.238 5.101 1.00 0.00 C ATOM 524 NE ARG A 38 10.111 4.457 5.517 1.00 0.00 N ATOM 525 CZ ARG A 38 10.704 5.644 5.610 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.994 5.769 5.325 1.00 0.00 N ATOM 527 NH2 ARG A 38 10.009 6.707 5.992 1.00 0.00 N ATOM 0 H ARG A 38 5.986 2.327 5.795 1.00 0.00 H new ATOM 0 HA ARG A 38 7.820 0.036 5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.836 1.330 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.336 2.848 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.967 2.033 6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.687 1.110 5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.819 3.246 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.872 3.215 4.014 1.00 0.00 H new ATOM 0 HE ARG A 38 9.120 4.394 5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.533 4.954 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.446 6.680 5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.018 6.615 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.466 7.616 6.063 1.00 0.00 H new ATOM 541 N GLN A 39 8.702 0.627 7.935 1.00 0.00 N ATOM 542 CA GLN A 39 8.971 0.823 9.353 1.00 0.00 C ATOM 543 C GLN A 39 10.459 0.672 9.653 1.00 0.00 C ATOM 544 O GLN A 39 11.019 -0.418 9.531 1.00 0.00 O ATOM 545 CB GLN A 39 8.165 -0.179 10.180 1.00 0.00 C ATOM 546 CG GLN A 39 8.472 -0.133 11.668 1.00 0.00 C ATOM 547 CD GLN A 39 7.352 -0.708 12.513 1.00 0.00 C ATOM 548 OE1 GLN A 39 7.146 -1.921 12.548 1.00 0.00 O ATOM 549 NE2 GLN A 39 6.622 0.163 13.199 1.00 0.00 N ATOM 0 H GLN A 39 9.191 -0.166 7.519 1.00 0.00 H new ATOM 0 HA GLN A 39 8.671 1.836 9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.102 0.013 10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.362 -1.185 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.390 -0.687 11.863 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.653 0.900 11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.829 1.160 13.140 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.854 -0.165 13.785 1.00 0.00 H new ATOM 558 N ALA A 40 11.093 1.771 10.050 1.00 0.00 N ATOM 559 CA ALA A 40 12.514 1.759 10.373 1.00 0.00 C ATOM 560 C ALA A 40 12.751 1.173 11.762 1.00 0.00 C ATOM 561 O ALA A 40 11.897 1.284 12.641 1.00 0.00 O ATOM 562 CB ALA A 40 13.088 3.165 10.284 1.00 0.00 C ATOM 0 H ALA A 40 10.644 2.681 10.156 1.00 0.00 H new ATOM 0 HA ALA A 40 13.024 1.127 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.150 3.141 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.957 3.548 9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.569 3.815 10.988 1.00 0.00 H new ATOM 618 N LEU A 45 6.427 3.355 11.811 1.00 0.00 N ATOM 619 CA LEU A 45 5.945 3.039 10.468 1.00 0.00 C ATOM 620 C LEU A 45 5.502 4.295 9.721 1.00 0.00 C ATOM 621 O LEU A 45 5.331 5.361 10.313 1.00 0.00 O ATOM 622 CB LEU A 45 4.789 2.035 10.535 1.00 0.00 C ATOM 623 CG LEU A 45 4.392 1.404 9.199 1.00 0.00 C ATOM 624 CD1 LEU A 45 4.242 -0.101 9.348 1.00 0.00 C ATOM 625 CD2 LEU A 45 3.103 2.022 8.680 1.00 0.00 C ATOM 0 HA LEU A 45 6.774 2.594 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.061 1.238 11.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.917 2.537 10.954 1.00 0.00 H new ATOM 0 HG LEU A 45 5.182 1.601 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.959 -0.535 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.189 -0.530 9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.470 -0.318 10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.836 1.561 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.303 1.855 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.245 3.093 8.537 1.00 0.00 H new ATOM 637 N GLU A 46 5.316 4.150 8.413 1.00 0.00 N ATOM 638 CA GLU A 46 4.890 5.252 7.561 1.00 0.00 C ATOM 639 C GLU A 46 4.199 4.712 6.314 1.00 0.00 C ATOM 640 O GLU A 46 4.757 3.879 5.601 1.00 0.00 O ATOM 641 CB GLU A 46 6.090 6.114 7.161 1.00 0.00 C ATOM 642 CG GLU A 46 5.786 7.119 6.063 1.00 0.00 C ATOM 643 CD GLU A 46 5.860 8.554 6.547 1.00 0.00 C ATOM 644 OE1 GLU A 46 5.057 8.925 7.429 1.00 0.00 O ATOM 645 OE2 GLU A 46 6.721 9.306 6.044 1.00 0.00 O ATOM 0 H GLU A 46 5.456 3.270 7.917 1.00 0.00 H new ATOM 0 HA GLU A 46 4.187 5.870 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.450 6.649 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.899 5.463 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.491 6.980 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.790 6.925 5.664 1.00 0.00 H new ATOM 652 N TRP A 47 2.983 5.184 6.057 1.00 0.00 N ATOM 653 CA TRP A 47 2.219 4.740 4.896 1.00 0.00 C ATOM 654 C TRP A 47 3.037 4.896 3.617 1.00 0.00 C ATOM 655 O TRP A 47 2.827 4.169 2.652 1.00 0.00 O ATOM 656 CB TRP A 47 0.885 5.507 4.816 1.00 0.00 C ATOM 657 CG TRP A 47 0.636 6.201 3.509 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.379 5.617 2.303 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.602 7.615 3.284 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.211 6.578 1.338 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.337 7.814 1.917 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.775 8.733 4.106 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.239 9.082 1.353 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.677 9.993 3.544 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.410 10.156 2.179 1.00 0.00 C ATOM 0 H TRP A 47 2.505 5.874 6.637 1.00 0.00 H new ATOM 0 HA TRP A 47 1.992 3.680 5.006 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.069 4.809 5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.859 6.248 5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.317 4.552 2.133 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.023 6.401 0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.981 8.615 5.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.035 9.212 0.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.808 10.865 4.168 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.338 11.153 1.770 1.00 0.00 H new ATOM 676 N VAL A 48 3.975 5.839 3.629 1.00 0.00 N ATOM 677 CA VAL A 48 4.843 6.091 2.482 1.00 0.00 C ATOM 678 C VAL A 48 4.048 6.451 1.222 1.00 0.00 C ATOM 679 O VAL A 48 3.982 7.619 0.844 1.00 0.00 O ATOM 680 CB VAL A 48 5.769 4.885 2.183 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.362 4.980 0.783 1.00 0.00 C ATOM 682 CG2 VAL A 48 6.880 4.789 3.221 1.00 0.00 C ATOM 0 H VAL A 48 4.154 6.447 4.428 1.00 0.00 H new ATOM 0 HA VAL A 48 5.459 6.947 2.757 1.00 0.00 H new ATOM 0 HB VAL A 48 5.163 3.980 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.007 4.120 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.558 4.992 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.946 5.896 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.519 3.936 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.475 5.702 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.443 4.660 4.211 1.00 0.00 H new ATOM 692 N SER A 49 3.466 5.450 0.558 1.00 0.00 N ATOM 693 CA SER A 49 2.714 5.706 -0.673 1.00 0.00 C ATOM 694 C SER A 49 1.359 5.001 -0.693 1.00 0.00 C ATOM 695 O SER A 49 1.196 3.923 -0.129 1.00 0.00 O ATOM 696 CB SER A 49 3.536 5.267 -1.883 1.00 0.00 C ATOM 697 OG SER A 49 3.822 3.882 -1.829 1.00 0.00 O ATOM 0 H SER A 49 3.499 4.472 0.845 1.00 0.00 H new ATOM 0 HA SER A 49 2.523 6.778 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.990 5.493 -2.799 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.467 5.833 -1.919 1.00 0.00 H new ATOM 0 HG SER A 49 4.751 3.751 -1.546 1.00 0.00 H new ATOM 703 N THR A 50 0.395 5.632 -1.367 1.00 0.00 N ATOM 704 CA THR A 50 -0.957 5.091 -1.495 1.00 0.00 C ATOM 705 C THR A 50 -1.429 5.195 -2.942 1.00 0.00 C ATOM 706 O THR A 50 -1.093 6.148 -3.645 1.00 0.00 O ATOM 707 CB THR A 50 -1.958 5.834 -0.573 1.00 0.00 C ATOM 708 OG1 THR A 50 -2.002 5.205 0.710 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.362 5.856 -1.162 1.00 0.00 C ATOM 0 H THR A 50 0.530 6.527 -1.837 1.00 0.00 H new ATOM 0 HA THR A 50 -0.923 4.045 -1.191 1.00 0.00 H new ATOM 0 HB THR A 50 -1.609 6.862 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.454 5.714 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.032 6.386 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.344 6.364 -2.126 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.716 4.834 -1.297 1.00 0.00 H new ATOM 717 N ILE A 51 -2.211 4.215 -3.380 1.00 0.00 N ATOM 718 CA ILE A 51 -2.724 4.206 -4.741 1.00 0.00 C ATOM 719 C ILE A 51 -4.252 4.175 -4.754 1.00 0.00 C ATOM 720 O ILE A 51 -4.878 3.512 -3.926 1.00 0.00 O ATOM 721 CB ILE A 51 -2.164 3.011 -5.538 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.499 3.157 -7.027 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.704 1.699 -4.989 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.413 2.635 -7.943 1.00 0.00 C ATOM 0 H ILE A 51 -2.502 3.419 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.393 5.127 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.079 3.002 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.427 2.625 -7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.677 4.209 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.297 0.868 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.411 1.594 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.791 1.694 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.717 2.770 -8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.489 3.183 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.250 1.575 -7.747 1.00 0.00 H new ATOM 736 N ASN A 52 -4.844 4.908 -5.693 1.00 0.00 N ATOM 737 CA ASN A 52 -6.299 4.982 -5.813 1.00 0.00 C ATOM 738 C ASN A 52 -6.837 3.870 -6.711 1.00 0.00 C ATOM 739 O ASN A 52 -6.204 3.504 -7.702 1.00 0.00 O ATOM 740 CB ASN A 52 -6.706 6.346 -6.372 1.00 0.00 C ATOM 741 CG ASN A 52 -8.180 6.643 -6.176 1.00 0.00 C ATOM 742 OD1 ASN A 52 -8.542 7.073 -4.975 1.00 0.00 O flip ATOM 743 ND2 ASN A 52 -8.985 6.486 -7.096 1.00 0.00 N flip ATOM 0 H ASN A 52 -4.338 5.461 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.729 4.853 -4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.115 7.123 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.470 6.383 -7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.663 6.153 -8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.974 6.689 -6.949 1.00 0.00 H new ATOM 750 N PRO A 53 -8.023 3.318 -6.379 1.00 0.00 N ATOM 751 CA PRO A 53 -8.646 2.248 -7.165 1.00 0.00 C ATOM 752 C PRO A 53 -8.641 2.549 -8.660 1.00 0.00 C ATOM 753 O PRO A 53 -8.935 3.669 -9.078 1.00 0.00 O ATOM 754 CB PRO A 53 -10.078 2.208 -6.634 1.00 0.00 C ATOM 755 CG PRO A 53 -9.974 2.697 -5.231 1.00 0.00 C ATOM 756 CD PRO A 53 -8.848 3.695 -5.213 1.00 0.00 C ATOM 0 HA PRO A 53 -8.112 1.303 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.738 2.842 -7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.487 1.198 -6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.908 3.159 -4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.774 1.873 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.218 4.717 -5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.279 3.639 -4.285 1.00 0.00 H new ATOM 764 N GLY A 54 -8.298 1.544 -9.459 1.00 0.00 N ATOM 765 CA GLY A 54 -8.252 1.723 -10.898 1.00 0.00 C ATOM 766 C GLY A 54 -6.876 2.139 -11.378 1.00 0.00 C ATOM 767 O GLY A 54 -6.677 2.395 -12.565 1.00 0.00 O ATOM 0 H GLY A 54 -8.051 0.609 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.540 0.793 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.981 2.478 -11.192 1.00 0.00 H new ATOM 771 N ASP A 55 -5.925 2.205 -10.447 1.00 0.00 N ATOM 772 CA ASP A 55 -4.555 2.591 -10.770 1.00 0.00 C ATOM 773 C ASP A 55 -4.518 3.970 -11.421 1.00 0.00 C ATOM 774 O ASP A 55 -4.489 4.088 -12.648 1.00 0.00 O ATOM 775 CB ASP A 55 -3.912 1.556 -11.698 1.00 0.00 C ATOM 776 CG ASP A 55 -3.014 0.588 -10.954 1.00 0.00 C ATOM 777 OD1 ASP A 55 -3.538 -0.406 -10.407 1.00 0.00 O ATOM 778 OD2 ASP A 55 -1.789 0.823 -10.915 1.00 0.00 O ATOM 0 H ASP A 55 -6.080 1.995 -9.461 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.988 2.632 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.695 0.998 -12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.331 2.070 -12.464 1.00 0.00 H new ATOM 783 N GLY A 56 -4.520 5.014 -10.595 1.00 0.00 N ATOM 784 CA GLY A 56 -4.486 6.367 -11.119 1.00 0.00 C ATOM 785 C GLY A 56 -3.949 7.374 -10.120 1.00 0.00 C ATOM 786 O GLY A 56 -2.744 7.622 -10.069 1.00 0.00 O ATOM 0 H GLY A 56 -4.544 4.947 -9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.868 6.388 -12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.492 6.661 -11.418 1.00 0.00 H new ATOM 790 N SER A 57 -4.843 7.958 -9.327 1.00 0.00 N ATOM 791 CA SER A 57 -4.451 8.948 -8.328 1.00 0.00 C ATOM 792 C SER A 57 -3.426 8.363 -7.364 1.00 0.00 C ATOM 793 O SER A 57 -3.520 7.198 -6.977 1.00 0.00 O ATOM 794 CB SER A 57 -5.676 9.440 -7.555 1.00 0.00 C ATOM 795 OG SER A 57 -5.985 10.783 -7.888 1.00 0.00 O ATOM 0 H SER A 57 -5.844 7.763 -9.357 1.00 0.00 H new ATOM 0 HA SER A 57 -3.998 9.793 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.531 8.801 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.490 9.361 -6.484 1.00 0.00 H new ATOM 0 HG SER A 57 -6.773 11.073 -7.382 1.00 0.00 H new ATOM 801 N THR A 58 -2.443 9.173 -6.986 1.00 0.00 N ATOM 802 CA THR A 58 -1.400 8.723 -6.073 1.00 0.00 C ATOM 803 C THR A 58 -1.056 9.788 -5.038 1.00 0.00 C ATOM 804 O THR A 58 -1.002 10.979 -5.346 1.00 0.00 O ATOM 805 CB THR A 58 -0.122 8.336 -6.837 1.00 0.00 C ATOM 806 OG1 THR A 58 -0.319 8.513 -8.245 1.00 0.00 O ATOM 807 CG2 THR A 58 0.264 6.895 -6.550 1.00 0.00 C ATOM 0 H THR A 58 -2.347 10.140 -7.296 1.00 0.00 H new ATOM 0 HA THR A 58 -1.795 7.847 -5.558 1.00 0.00 H new ATOM 0 HB THR A 58 0.686 8.985 -6.501 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.500 8.266 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.170 6.644 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.443 6.772 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.544 6.233 -6.861 1.00 0.00 H new ATOM 815 N TYR A 59 -0.816 9.342 -3.808 1.00 0.00 N ATOM 816 CA TYR A 59 -0.465 10.239 -2.711 1.00 0.00 C ATOM 817 C TYR A 59 0.712 9.675 -1.925 1.00 0.00 C ATOM 818 O TYR A 59 0.735 8.491 -1.593 1.00 0.00 O ATOM 819 CB TYR A 59 -1.664 10.445 -1.779 1.00 0.00 C ATOM 820 CG TYR A 59 -3.003 10.263 -2.457 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.620 11.318 -3.116 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.649 9.033 -2.439 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.843 11.155 -3.738 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.873 8.861 -3.060 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.464 9.924 -3.708 1.00 0.00 C ATOM 826 OH TYR A 59 -6.682 9.757 -4.326 1.00 0.00 O ATOM 0 H TYR A 59 -0.859 8.357 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.181 11.203 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.590 9.744 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.615 11.448 -1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.136 12.283 -3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.188 8.198 -1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.310 11.987 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.363 7.899 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.982 8.831 -4.213 1.00 0.00 H new ATOM 836 N TYR A 60 1.693 10.524 -1.637 1.00 0.00 N ATOM 837 CA TYR A 60 2.875 10.096 -0.896 1.00 0.00 C ATOM 838 C TYR A 60 3.029 10.886 0.400 1.00 0.00 C ATOM 839 O TYR A 60 2.369 11.907 0.600 1.00 0.00 O ATOM 840 CB TYR A 60 4.129 10.263 -1.757 1.00 0.00 C ATOM 841 CG TYR A 60 4.215 9.287 -2.911 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.286 9.316 -3.945 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.227 8.337 -2.966 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.365 8.428 -5.001 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.311 7.445 -4.018 1.00 0.00 C ATOM 846 CZ TYR A 60 4.379 7.495 -5.032 1.00 0.00 C ATOM 847 OH TYR A 60 4.461 6.609 -6.082 1.00 0.00 O ATOM 0 H TYR A 60 1.694 11.508 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 60 2.749 9.043 -0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.155 11.279 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.010 10.143 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.489 10.045 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.960 8.295 -2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.636 8.465 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.104 6.712 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 60 5.014 6.995 -6.793 1.00 0.00 H new ATOM 857 N ALA A 61 3.907 10.405 1.276 1.00 0.00 N ATOM 858 CA ALA A 61 4.156 11.059 2.557 1.00 0.00 C ATOM 859 C ALA A 61 4.945 12.354 2.374 1.00 0.00 C ATOM 860 O ALA A 61 5.451 12.920 3.344 1.00 0.00 O ATOM 861 CB ALA A 61 4.900 10.114 3.493 1.00 0.00 C ATOM 0 H ALA A 61 4.460 9.562 1.121 1.00 0.00 H new ATOM 0 HA ALA A 61 3.193 11.313 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.080 10.613 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.300 9.220 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.853 9.833 3.044 1.00 0.00 H new ATOM 867 N ASP A 62 5.047 12.810 1.123 1.00 0.00 N ATOM 868 CA ASP A 62 5.772 14.037 0.786 1.00 0.00 C ATOM 869 C ASP A 62 7.283 13.839 0.880 1.00 0.00 C ATOM 870 O ASP A 62 8.051 14.551 0.232 1.00 0.00 O ATOM 871 CB ASP A 62 5.336 15.194 1.688 1.00 0.00 C ATOM 872 CG ASP A 62 3.829 15.326 1.775 1.00 0.00 C ATOM 873 OD1 ASP A 62 3.159 15.191 0.730 1.00 0.00 O ATOM 874 OD2 ASP A 62 3.317 15.562 2.890 1.00 0.00 O ATOM 0 H ASP A 62 4.631 12.341 0.318 1.00 0.00 H new ATOM 0 HA ASP A 62 5.526 14.285 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.743 15.044 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.758 16.125 1.309 1.00 0.00 H new ATOM 879 N SER A 63 7.707 12.869 1.686 1.00 0.00 N ATOM 880 CA SER A 63 9.126 12.582 1.857 1.00 0.00 C ATOM 881 C SER A 63 9.543 11.400 0.990 1.00 0.00 C ATOM 882 O SER A 63 10.718 11.038 0.941 1.00 0.00 O ATOM 883 CB SER A 63 9.435 12.288 3.325 1.00 0.00 C ATOM 884 OG SER A 63 10.314 13.260 3.866 1.00 0.00 O ATOM 0 H SER A 63 7.087 12.269 2.230 1.00 0.00 H new ATOM 0 HA SER A 63 9.692 13.459 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.508 12.272 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.883 11.298 3.414 1.00 0.00 H new ATOM 0 HG SER A 63 10.495 13.051 4.806 1.00 0.00 H new ATOM 890 N VAL A 64 8.571 10.803 0.308 1.00 0.00 N ATOM 891 CA VAL A 64 8.837 9.660 -0.555 1.00 0.00 C ATOM 892 C VAL A 64 8.484 9.968 -2.005 1.00 0.00 C ATOM 893 O VAL A 64 8.680 9.131 -2.888 1.00 0.00 O ATOM 894 CB VAL A 64 8.060 8.411 -0.101 1.00 0.00 C ATOM 895 CG1 VAL A 64 8.850 7.642 0.945 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.690 8.797 0.432 1.00 0.00 C ATOM 0 H VAL A 64 7.593 11.092 0.337 1.00 0.00 H new ATOM 0 HA VAL A 64 9.905 9.456 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 64 7.917 7.762 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.285 6.763 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.805 7.330 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.027 8.281 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.157 7.900 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.807 9.468 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.123 9.299 -0.352 1.00 0.00 H new ATOM 906 N LYS A 65 7.973 11.172 -2.254 1.00 0.00 N ATOM 907 CA LYS A 65 7.613 11.574 -3.609 1.00 0.00 C ATOM 908 C LYS A 65 8.845 11.520 -4.502 1.00 0.00 C ATOM 909 O LYS A 65 9.825 12.227 -4.265 1.00 0.00 O ATOM 910 CB LYS A 65 7.012 12.980 -3.619 1.00 0.00 C ATOM 911 CG LYS A 65 5.513 13.004 -3.362 1.00 0.00 C ATOM 912 CD LYS A 65 4.738 12.353 -4.499 1.00 0.00 C ATOM 913 CE LYS A 65 4.520 13.319 -5.652 1.00 0.00 C ATOM 914 NZ LYS A 65 3.788 12.679 -6.779 1.00 0.00 N ATOM 0 H LYS A 65 7.800 11.880 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 65 6.861 10.884 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.512 13.585 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.214 13.446 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.295 12.485 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.181 14.035 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.280 11.477 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.774 12.003 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.959 14.185 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.483 13.686 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.659 13.370 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.335 11.868 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.858 12.352 -6.448 1.00 0.00 H new ATOM 928 N GLY A 66 8.802 10.658 -5.508 1.00 0.00 N ATOM 929 CA GLY A 66 9.937 10.506 -6.396 1.00 0.00 C ATOM 930 C GLY A 66 10.877 9.432 -5.892 1.00 0.00 C ATOM 931 O GLY A 66 11.573 8.779 -6.670 1.00 0.00 O ATOM 0 H GLY A 66 8.003 10.062 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.589 10.250 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.470 11.453 -6.476 1.00 0.00 H new ATOM 935 N ARG A 67 10.878 9.248 -4.575 1.00 0.00 N ATOM 936 CA ARG A 67 11.715 8.247 -3.929 1.00 0.00 C ATOM 937 C ARG A 67 11.275 6.847 -4.332 1.00 0.00 C ATOM 938 O ARG A 67 12.047 6.080 -4.908 1.00 0.00 O ATOM 939 CB ARG A 67 11.624 8.397 -2.408 1.00 0.00 C ATOM 940 CG ARG A 67 12.581 7.504 -1.639 1.00 0.00 C ATOM 941 CD ARG A 67 13.696 8.313 -0.999 1.00 0.00 C ATOM 942 NE ARG A 67 13.484 8.507 0.433 1.00 0.00 N ATOM 943 CZ ARG A 67 13.509 9.697 1.028 1.00 0.00 C ATOM 944 NH1 ARG A 67 13.735 10.795 0.316 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.306 9.789 2.336 1.00 0.00 N ATOM 0 H ARG A 67 10.301 9.787 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 67 12.747 8.397 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.821 9.436 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.604 8.176 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.035 6.960 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.008 6.760 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.648 7.806 -1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.766 9.284 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 67 13.307 7.684 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.890 10.728 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.754 11.706 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.131 8.948 2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.325 10.701 2.792 1.00 0.00 H new ATOM 959 N PHE A 68 10.023 6.524 -4.021 1.00 0.00 N ATOM 960 CA PHE A 68 9.463 5.218 -4.343 1.00 0.00 C ATOM 961 C PHE A 68 8.305 5.350 -5.323 1.00 0.00 C ATOM 962 O PHE A 68 7.764 6.438 -5.519 1.00 0.00 O ATOM 963 CB PHE A 68 8.967 4.519 -3.075 1.00 0.00 C ATOM 964 CG PHE A 68 10.009 4.335 -2.003 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.362 4.356 -2.304 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.623 4.128 -0.688 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.309 4.174 -1.315 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.565 3.947 0.303 1.00 0.00 C ATOM 969 CZ PHE A 68 11.909 3.969 -0.010 1.00 0.00 C ATOM 0 H PHE A 68 9.376 7.152 -3.545 1.00 0.00 H new ATOM 0 HA PHE A 68 10.254 4.624 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.139 5.094 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.571 3.541 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.679 4.517 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.573 4.108 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.360 4.192 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.251 3.788 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.647 3.826 0.765 1.00 0.00 H new ATOM 979 N THR A 69 7.919 4.230 -5.922 1.00 0.00 N ATOM 980 CA THR A 69 6.812 4.208 -6.866 1.00 0.00 C ATOM 981 C THR A 69 5.798 3.145 -6.468 1.00 0.00 C ATOM 982 O THR A 69 6.129 1.969 -6.376 1.00 0.00 O ATOM 983 CB THR A 69 7.295 3.935 -8.304 1.00 0.00 C ATOM 984 OG1 THR A 69 8.028 5.062 -8.799 1.00 0.00 O ATOM 985 CG2 THR A 69 6.121 3.642 -9.230 1.00 0.00 C ATOM 0 H THR A 69 8.359 3.323 -5.769 1.00 0.00 H new ATOM 0 HA THR A 69 6.345 5.193 -6.840 1.00 0.00 H new ATOM 0 HB THR A 69 7.944 3.060 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.332 4.879 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.491 3.453 -10.238 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.584 2.764 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.447 4.499 -9.245 1.00 0.00 H new ATOM 993 N ILE A 70 4.565 3.568 -6.225 1.00 0.00 N ATOM 994 CA ILE A 70 3.509 2.649 -5.823 1.00 0.00 C ATOM 995 C ILE A 70 2.589 2.321 -6.994 1.00 0.00 C ATOM 996 O ILE A 70 1.951 3.200 -7.574 1.00 0.00 O ATOM 997 CB ILE A 70 2.668 3.236 -4.670 1.00 0.00 C ATOM 998 CG1 ILE A 70 1.426 2.379 -4.417 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.267 4.668 -4.983 1.00 0.00 C ATOM 1000 CD1 ILE A 70 1.233 2.001 -2.973 1.00 0.00 C ATOM 0 H ILE A 70 4.271 4.542 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 70 3.995 1.735 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 70 3.277 3.234 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.545 2.921 -4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.495 1.470 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.674 5.068 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.162 5.276 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.677 4.689 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.333 1.394 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.095 1.431 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.131 2.904 -2.371 1.00 0.00 H new ATOM 1012 N SER A 71 2.533 1.038 -7.326 1.00 0.00 N ATOM 1013 CA SER A 71 1.704 0.552 -8.418 1.00 0.00 C ATOM 1014 C SER A 71 1.270 -0.882 -8.145 1.00 0.00 C ATOM 1015 O SER A 71 1.818 -1.543 -7.265 1.00 0.00 O ATOM 1016 CB SER A 71 2.466 0.631 -9.743 1.00 0.00 C ATOM 1017 OG SER A 71 2.016 -0.359 -10.653 1.00 0.00 O ATOM 0 H SER A 71 3.060 0.308 -6.847 1.00 0.00 H new ATOM 0 HA SER A 71 0.817 1.182 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.335 1.620 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.533 0.503 -9.560 1.00 0.00 H new ATOM 0 HG SER A 71 2.518 -0.285 -11.491 1.00 0.00 H new ATOM 1023 N ARG A 72 0.284 -1.357 -8.894 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.217 -2.715 -8.714 1.00 0.00 C ATOM 1025 C ARG A 72 -0.981 -3.189 -9.947 1.00 0.00 C ATOM 1026 O ARG A 72 -1.156 -2.441 -10.909 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.121 -2.784 -7.481 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.549 -2.327 -7.736 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.025 -1.361 -6.665 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.264 -0.689 -7.049 1.00 0.00 N ATOM 1031 CZ ARG A 72 -5.191 -0.298 -6.182 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.019 -0.503 -4.883 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -6.291 0.300 -6.615 1.00 0.00 N ATOM 0 H ARG A 72 -0.184 -0.826 -9.629 1.00 0.00 H new ATOM 0 HA ARG A 72 0.639 -3.374 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.139 -3.810 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.689 -2.169 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.609 -1.847 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.210 -3.194 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.180 -1.902 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.251 -0.616 -6.478 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.426 -0.510 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.173 -0.962 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.733 -0.201 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.425 0.460 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.004 0.601 -5.950 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.440 -4.435 -9.903 1.00 0.00 N ATOM 1048 CA ASP A 73 -2.195 -5.013 -11.006 1.00 0.00 C ATOM 1049 C ASP A 73 -3.684 -5.031 -10.680 1.00 0.00 C ATOM 1050 O ASP A 73 -4.107 -4.507 -9.650 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.704 -6.430 -11.304 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.793 -6.772 -12.778 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -0.985 -6.230 -13.562 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -2.672 -7.578 -13.149 1.00 0.00 O ATOM 0 H ASP A 73 -1.301 -5.065 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.039 -4.396 -11.891 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.671 -6.531 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.295 -7.145 -10.731 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.476 -5.635 -11.560 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.918 -5.713 -11.357 1.00 0.00 C ATOM 1061 C ASN A 74 -6.402 -7.159 -11.398 1.00 0.00 C ATOM 1062 O ASN A 74 -7.361 -7.521 -10.716 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.649 -4.887 -12.416 1.00 0.00 C ATOM 1064 CG ASN A 74 -5.939 -4.905 -13.756 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -6.008 -5.887 -14.493 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -5.251 -3.816 -14.075 1.00 0.00 N ATOM 0 H ASN A 74 -4.145 -6.076 -12.418 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.140 -5.306 -10.371 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.661 -5.273 -12.539 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.740 -3.857 -12.070 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.751 -3.770 -14.963 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.222 -3.025 -13.432 1.00 0.00 H new ATOM 1073 N ALA A 75 -5.735 -7.981 -12.202 1.00 0.00 N ATOM 1074 CA ALA A 75 -6.101 -9.387 -12.329 1.00 0.00 C ATOM 1075 C ALA A 75 -5.566 -10.201 -11.157 1.00 0.00 C ATOM 1076 O ALA A 75 -6.182 -11.180 -10.734 1.00 0.00 O ATOM 1077 CB ALA A 75 -5.585 -9.950 -13.644 1.00 0.00 C ATOM 0 H ALA A 75 -4.940 -7.698 -12.774 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.189 -9.456 -12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.865 -11.000 -13.725 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.020 -9.393 -14.474 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.499 -9.861 -13.677 1.00 0.00 H new ATOM 1083 N LYS A 76 -4.414 -9.791 -10.639 1.00 0.00 N ATOM 1084 CA LYS A 76 -3.791 -10.480 -9.516 1.00 0.00 C ATOM 1085 C LYS A 76 -3.947 -9.674 -8.229 1.00 0.00 C ATOM 1086 O LYS A 76 -4.266 -8.486 -8.264 1.00 0.00 O ATOM 1087 CB LYS A 76 -2.309 -10.723 -9.803 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.054 -11.889 -10.745 1.00 0.00 C ATOM 1089 CD LYS A 76 -1.097 -12.899 -10.134 1.00 0.00 C ATOM 1090 CE LYS A 76 -0.778 -14.024 -11.106 1.00 0.00 C ATOM 1091 NZ LYS A 76 -1.526 -15.270 -10.778 1.00 0.00 N ATOM 0 H LYS A 76 -3.892 -8.984 -10.980 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.292 -11.439 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.878 -9.819 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.791 -10.907 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.998 -12.379 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.642 -11.517 -11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.175 -12.397 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.535 -13.314 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.025 -13.709 -12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.293 -14.228 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.281 -16.013 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.272 -15.586 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.548 -15.083 -10.821 1.00 0.00 H new ATOM 1105 N ASN A 77 -3.721 -10.331 -7.095 1.00 0.00 N ATOM 1106 CA ASN A 77 -3.835 -9.679 -5.795 1.00 0.00 C ATOM 1107 C ASN A 77 -2.460 -9.381 -5.208 1.00 0.00 C ATOM 1108 O ASN A 77 -2.072 -9.959 -4.192 1.00 0.00 O ATOM 1109 CB ASN A 77 -4.632 -10.560 -4.833 1.00 0.00 C ATOM 1110 CG ASN A 77 -6.082 -10.130 -4.719 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -6.509 -9.168 -5.358 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -6.846 -10.843 -3.901 1.00 0.00 N ATOM 0 H ASN A 77 -3.458 -11.315 -7.051 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.359 -8.734 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.589 -11.595 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.168 -10.528 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.830 -10.602 -3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.449 -11.633 -3.391 1.00 0.00 H new ATOM 1119 N THR A 78 -1.724 -8.474 -5.846 1.00 0.00 N ATOM 1120 CA THR A 78 -0.396 -8.108 -5.371 1.00 0.00 C ATOM 1121 C THR A 78 -0.129 -6.615 -5.515 1.00 0.00 C ATOM 1122 O THR A 78 -0.536 -5.986 -6.491 1.00 0.00 O ATOM 1123 CB THR A 78 0.711 -8.865 -6.125 1.00 0.00 C ATOM 1124 OG1 THR A 78 0.226 -9.312 -7.397 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.204 -10.056 -5.319 1.00 0.00 C ATOM 0 H THR A 78 -2.024 -7.983 -6.688 1.00 0.00 H new ATOM 0 HA THR A 78 -0.377 -8.382 -4.316 1.00 0.00 H new ATOM 0 HB THR A 78 1.545 -8.179 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.939 -9.791 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.986 -10.573 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.605 -9.710 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.375 -10.740 -5.137 1.00 0.00 H new ATOM 1133 N LEU A 79 0.595 -6.070 -4.544 1.00 0.00 N ATOM 1134 CA LEU A 79 0.969 -4.662 -4.554 1.00 0.00 C ATOM 1135 C LEU A 79 2.456 -4.553 -4.870 1.00 0.00 C ATOM 1136 O LEU A 79 3.244 -5.391 -4.436 1.00 0.00 O ATOM 1137 CB LEU A 79 0.658 -4.009 -3.201 1.00 0.00 C ATOM 1138 CG LEU A 79 0.381 -2.502 -3.248 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.812 -2.202 -4.138 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.144 -1.954 -1.847 1.00 0.00 C ATOM 0 H LEU A 79 0.937 -6.587 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 79 0.392 -4.137 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.209 -4.507 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.498 -4.186 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 79 1.259 -2.011 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.991 -1.127 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.609 -2.554 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.694 -2.710 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.051 -0.883 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.714 -2.456 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.027 -2.130 -1.233 1.00 0.00 H new ATOM 1152 N TYR A 80 2.839 -3.546 -5.644 1.00 0.00 N ATOM 1153 CA TYR A 80 4.240 -3.382 -6.019 1.00 0.00 C ATOM 1154 C TYR A 80 4.749 -1.980 -5.722 1.00 0.00 C ATOM 1155 O TYR A 80 3.984 -1.017 -5.697 1.00 0.00 O ATOM 1156 CB TYR A 80 4.430 -3.680 -7.507 1.00 0.00 C ATOM 1157 CG TYR A 80 4.207 -5.127 -7.878 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.929 -5.670 -7.895 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.275 -5.949 -8.215 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.721 -6.991 -8.237 1.00 0.00 C ATOM 1161 CE2 TYR A 80 5.076 -7.272 -8.558 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.797 -7.789 -8.567 1.00 0.00 C ATOM 1163 OH TYR A 80 3.594 -9.107 -8.909 1.00 0.00 O ATOM 0 H TYR A 80 2.209 -2.838 -6.021 1.00 0.00 H new ATOM 0 HA TYR A 80 4.816 -4.088 -5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.743 -3.058 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.440 -3.393 -7.798 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.084 -5.049 -7.636 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.277 -5.547 -8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.721 -7.398 -8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.917 -7.898 -8.818 1.00 0.00 H new ATOM 0 HH TYR A 80 4.455 -9.528 -9.114 1.00 0.00 H new ATOM 1173 N LEU A 81 6.060 -1.877 -5.524 1.00 0.00 N ATOM 1174 CA LEU A 81 6.696 -0.597 -5.259 1.00 0.00 C ATOM 1175 C LEU A 81 8.149 -0.613 -5.714 1.00 0.00 C ATOM 1176 O LEU A 81 8.889 -1.560 -5.437 1.00 0.00 O ATOM 1177 CB LEU A 81 6.624 -0.227 -3.776 1.00 0.00 C ATOM 1178 CG LEU A 81 7.158 1.171 -3.448 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.025 2.177 -3.364 1.00 0.00 C ATOM 1180 CD2 LEU A 81 7.947 1.161 -2.151 1.00 0.00 C ATOM 0 H LEU A 81 6.702 -2.670 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 81 6.150 0.157 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.587 -0.293 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.188 -0.962 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 81 7.826 1.469 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.429 3.162 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.502 2.217 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.328 1.876 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.315 2.165 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.302 0.833 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.791 0.477 -2.244 1.00 0.00 H new ATOM 1192 N GLN A 82 8.549 0.444 -6.410 1.00 0.00 N ATOM 1193 CA GLN A 82 9.911 0.568 -6.907 1.00 0.00 C ATOM 1194 C GLN A 82 10.694 1.561 -6.057 1.00 0.00 C ATOM 1195 O GLN A 82 10.485 2.772 -6.146 1.00 0.00 O ATOM 1196 CB GLN A 82 9.909 1.017 -8.370 1.00 0.00 C ATOM 1197 CG GLN A 82 11.177 0.648 -9.122 1.00 0.00 C ATOM 1198 CD GLN A 82 11.234 -0.824 -9.482 1.00 0.00 C ATOM 1199 OE1 GLN A 82 12.316 -1.487 -9.090 1.00 0.00 O flip ATOM 1200 NE2 GLN A 82 10.317 -1.360 -10.103 1.00 0.00 N flip ATOM 0 H GLN A 82 7.944 1.232 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 82 10.392 -0.408 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.053 0.571 -8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.775 2.098 -8.409 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.241 1.244 -10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.044 0.903 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.504 -0.813 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.370 -2.352 -10.336 1.00 0.00 H new ATOM 1209 N MET A 83 11.588 1.035 -5.230 1.00 0.00 N ATOM 1210 CA MET A 83 12.402 1.865 -4.354 1.00 0.00 C ATOM 1211 C MET A 83 13.640 2.370 -5.083 1.00 0.00 C ATOM 1212 O MET A 83 14.670 1.697 -5.119 1.00 0.00 O ATOM 1213 CB MET A 83 12.816 1.075 -3.112 1.00 0.00 C ATOM 1214 CG MET A 83 11.646 0.440 -2.378 1.00 0.00 C ATOM 1215 SD MET A 83 11.998 -1.242 -1.838 1.00 0.00 S ATOM 1216 CE MET A 83 10.668 -1.503 -0.669 1.00 0.00 C ATOM 0 H MET A 83 11.768 0.034 -5.148 1.00 0.00 H new ATOM 0 HA MET A 83 11.805 2.724 -4.049 1.00 0.00 H new ATOM 0 HB2 MET A 83 13.517 0.294 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.346 1.739 -2.429 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.391 1.050 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 83 10.773 0.433 -3.031 1.00 0.00 H new ATOM 0 HE1 MET A 83 10.344 -2.543 -0.712 1.00 0.00 H new ATOM 0 HE2 MET A 83 11.018 -1.274 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.831 -0.852 -0.919 1.00 0.00 H new ATOM 1226 N ASN A 84 13.532 3.561 -5.661 1.00 0.00 N ATOM 1227 CA ASN A 84 14.648 4.156 -6.388 1.00 0.00 C ATOM 1228 C ASN A 84 15.311 5.250 -5.559 1.00 0.00 C ATOM 1229 O ASN A 84 15.002 6.432 -5.715 1.00 0.00 O ATOM 1230 CB ASN A 84 14.167 4.731 -7.722 1.00 0.00 C ATOM 1231 CG ASN A 84 14.550 3.856 -8.900 1.00 0.00 C ATOM 1232 OD1 ASN A 84 15.704 3.455 -9.041 1.00 0.00 O ATOM 1233 ND2 ASN A 84 13.579 3.558 -9.756 1.00 0.00 N ATOM 0 H ASN A 84 12.687 4.132 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 84 15.383 3.375 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.083 4.846 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.590 5.726 -7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.777 2.975 -10.569 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.635 3.912 -9.600 1.00 0.00 H new ATOM 1240 N SER A 85 16.227 4.848 -4.679 1.00 0.00 N ATOM 1241 CA SER A 85 16.936 5.799 -3.826 1.00 0.00 C ATOM 1242 C SER A 85 17.994 5.102 -2.970 1.00 0.00 C ATOM 1243 O SER A 85 19.129 4.918 -3.405 1.00 0.00 O ATOM 1244 CB SER A 85 15.950 6.544 -2.924 1.00 0.00 C ATOM 1245 OG SER A 85 14.954 5.668 -2.427 1.00 0.00 O ATOM 0 H SER A 85 16.494 3.874 -4.539 1.00 0.00 H new ATOM 0 HA SER A 85 17.440 6.513 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.486 7.000 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.481 7.354 -3.483 1.00 0.00 H new ATOM 0 HG SER A 85 14.936 5.714 -1.448 1.00 0.00 H new ATOM 1251 N LEU A 86 17.613 4.734 -1.744 1.00 0.00 N ATOM 1252 CA LEU A 86 18.525 4.079 -0.808 1.00 0.00 C ATOM 1253 C LEU A 86 19.800 4.894 -0.646 1.00 0.00 C ATOM 1254 O LEU A 86 20.743 4.766 -1.429 1.00 0.00 O ATOM 1255 CB LEU A 86 18.872 2.660 -1.262 1.00 0.00 C ATOM 1256 CG LEU A 86 17.685 1.751 -1.611 1.00 0.00 C ATOM 1257 CD1 LEU A 86 16.472 2.064 -0.743 1.00 0.00 C ATOM 1258 CD2 LEU A 86 17.334 1.874 -3.085 1.00 0.00 C ATOM 0 H LEU A 86 16.673 4.881 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 86 18.015 4.014 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.520 2.729 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.451 2.180 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 86 17.982 0.722 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.649 1.403 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.727 1.913 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 86 16.171 3.100 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.491 1.223 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.067 2.906 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.193 1.581 -3.689 1.00 0.00 H new ATOM 1270 N LYS A 87 19.813 5.736 0.372 1.00 0.00 N ATOM 1271 CA LYS A 87 20.957 6.592 0.650 1.00 0.00 C ATOM 1272 C LYS A 87 21.590 6.249 1.994 1.00 0.00 C ATOM 1273 O LYS A 87 21.923 7.141 2.776 1.00 0.00 O ATOM 1274 CB LYS A 87 20.521 8.059 0.641 1.00 0.00 C ATOM 1275 CG LYS A 87 19.107 8.275 1.163 1.00 0.00 C ATOM 1276 CD LYS A 87 18.123 8.520 0.029 1.00 0.00 C ATOM 1277 CE LYS A 87 17.060 9.534 0.422 1.00 0.00 C ATOM 1278 NZ LYS A 87 16.908 10.605 -0.603 1.00 0.00 N ATOM 0 H LYS A 87 19.038 5.847 1.026 1.00 0.00 H new ATOM 0 HA LYS A 87 21.702 6.427 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 87 21.216 8.640 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.587 8.443 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.793 7.403 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 87 19.096 9.125 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.660 8.877 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.646 7.580 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.106 9.025 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.323 9.983 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.174 11.276 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.811 11.108 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.632 10.180 -1.511 1.00 0.00 H new ATOM 1292 N SER A 88 21.748 4.952 2.264 1.00 0.00 N ATOM 1293 CA SER A 88 22.336 4.503 3.524 1.00 0.00 C ATOM 1294 C SER A 88 21.536 5.043 4.699 1.00 0.00 C ATOM 1295 O SER A 88 22.015 5.082 5.833 1.00 0.00 O ATOM 1296 CB SER A 88 23.781 4.985 3.637 1.00 0.00 C ATOM 1297 OG SER A 88 24.480 4.795 2.418 1.00 0.00 O ATOM 0 H SER A 88 21.478 4.199 1.631 1.00 0.00 H new ATOM 0 HA SER A 88 22.317 3.413 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 88 23.795 6.041 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.286 4.445 4.437 1.00 0.00 H new ATOM 0 HG SER A 88 25.402 5.113 2.516 1.00 0.00 H new ATOM 1303 N GLU A 89 20.322 5.480 4.407 1.00 0.00 N ATOM 1304 CA GLU A 89 19.450 6.046 5.417 1.00 0.00 C ATOM 1305 C GLU A 89 18.146 5.262 5.506 1.00 0.00 C ATOM 1306 O GLU A 89 17.574 5.112 6.586 1.00 0.00 O ATOM 1307 CB GLU A 89 19.183 7.510 5.077 1.00 0.00 C ATOM 1308 CG GLU A 89 17.985 8.102 5.796 1.00 0.00 C ATOM 1309 CD GLU A 89 18.331 8.619 7.178 1.00 0.00 C ATOM 1310 OE1 GLU A 89 19.008 9.665 7.269 1.00 0.00 O ATOM 1311 OE2 GLU A 89 17.926 7.978 8.171 1.00 0.00 O ATOM 0 H GLU A 89 19.918 5.452 3.471 1.00 0.00 H new ATOM 0 HA GLU A 89 19.935 5.985 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.068 8.097 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.030 7.600 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.574 8.917 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.206 7.344 5.880 1.00 0.00 H new ATOM 1318 N ASP A 90 17.690 4.758 4.365 1.00 0.00 N ATOM 1319 CA ASP A 90 16.459 3.978 4.309 1.00 0.00 C ATOM 1320 C ASP A 90 16.568 2.743 5.205 1.00 0.00 C ATOM 1321 O ASP A 90 16.396 2.838 6.419 1.00 0.00 O ATOM 1322 CB ASP A 90 16.157 3.571 2.864 1.00 0.00 C ATOM 1323 CG ASP A 90 15.033 4.387 2.257 1.00 0.00 C ATOM 1324 OD1 ASP A 90 13.915 4.363 2.814 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.270 5.051 1.225 1.00 0.00 O ATOM 0 H ASP A 90 18.155 4.876 3.465 1.00 0.00 H new ATOM 0 HA ASP A 90 15.637 4.594 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 90 17.056 3.691 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.892 2.514 2.835 1.00 0.00 H new ATOM 1330 N THR A 91 16.872 1.591 4.601 1.00 0.00 N ATOM 1331 CA THR A 91 17.024 0.339 5.344 1.00 0.00 C ATOM 1332 C THR A 91 15.918 0.148 6.381 1.00 0.00 C ATOM 1333 O THR A 91 16.049 0.578 7.528 1.00 0.00 O ATOM 1334 CB THR A 91 18.385 0.282 6.062 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.418 0.789 5.207 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.716 -1.141 6.483 1.00 0.00 C ATOM 0 H THR A 91 17.018 1.500 3.596 1.00 0.00 H new ATOM 0 HA THR A 91 16.959 -0.462 4.608 1.00 0.00 H new ATOM 0 HB THR A 91 18.323 0.902 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.278 0.749 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.682 -1.156 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.946 -1.508 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.758 -1.781 5.602 1.00 0.00 H new ATOM 1344 N ALA A 92 14.833 -0.507 5.980 1.00 0.00 N ATOM 1345 CA ALA A 92 13.716 -0.754 6.885 1.00 0.00 C ATOM 1346 C ALA A 92 12.794 -1.844 6.345 1.00 0.00 C ATOM 1347 O ALA A 92 12.948 -2.298 5.209 1.00 0.00 O ATOM 1348 CB ALA A 92 12.937 0.531 7.119 1.00 0.00 C ATOM 0 H ALA A 92 14.704 -0.875 5.038 1.00 0.00 H new ATOM 0 HA ALA A 92 14.122 -1.102 7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.106 0.334 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.595 1.280 7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.551 0.901 6.169 1.00 0.00 H new ATOM 1354 N VAL A 93 11.830 -2.255 7.164 1.00 0.00 N ATOM 1355 CA VAL A 93 10.878 -3.283 6.763 1.00 0.00 C ATOM 1356 C VAL A 93 9.714 -2.655 6.007 1.00 0.00 C ATOM 1357 O VAL A 93 9.302 -1.537 6.309 1.00 0.00 O ATOM 1358 CB VAL A 93 10.329 -4.060 7.975 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.475 -5.231 7.517 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.466 -4.541 8.861 1.00 0.00 C ATOM 0 H VAL A 93 11.689 -1.892 8.107 1.00 0.00 H new ATOM 0 HA VAL A 93 11.411 -3.982 6.118 1.00 0.00 H new ATOM 0 HB VAL A 93 9.702 -3.386 8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.096 -5.767 8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.637 -4.861 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.078 -5.905 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.058 -5.087 9.711 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.121 -5.197 8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.035 -3.684 9.220 1.00 0.00 H new ATOM 1370 N TYR A 94 9.193 -3.365 5.016 1.00 0.00 N ATOM 1371 CA TYR A 94 8.085 -2.847 4.226 1.00 0.00 C ATOM 1372 C TYR A 94 6.899 -3.805 4.233 1.00 0.00 C ATOM 1373 O TYR A 94 7.063 -5.022 4.131 1.00 0.00 O ATOM 1374 CB TYR A 94 8.540 -2.580 2.789 1.00 0.00 C ATOM 1375 CG TYR A 94 9.430 -1.362 2.650 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.722 -1.363 3.162 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.982 -0.213 2.008 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.540 -0.256 3.043 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.796 0.898 1.883 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.073 0.871 2.402 1.00 0.00 C ATOM 1381 OH TYR A 94 11.886 1.974 2.283 1.00 0.00 O ATOM 0 H TYR A 94 9.516 -4.293 4.742 1.00 0.00 H new ATOM 0 HA TYR A 94 7.761 -1.910 4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 94 9.075 -3.454 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.661 -2.452 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.093 -2.245 3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.982 -0.188 1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.540 -0.274 3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.433 1.783 1.381 1.00 0.00 H new ATOM 0 HH TYR A 94 11.576 2.530 1.538 1.00 0.00 H new ATOM 1391 N TYR A 95 5.703 -3.239 4.348 1.00 0.00 N ATOM 1392 CA TYR A 95 4.475 -4.023 4.359 1.00 0.00 C ATOM 1393 C TYR A 95 3.424 -3.365 3.474 1.00 0.00 C ATOM 1394 O TYR A 95 3.548 -2.197 3.110 1.00 0.00 O ATOM 1395 CB TYR A 95 3.906 -4.170 5.777 1.00 0.00 C ATOM 1396 CG TYR A 95 4.920 -4.031 6.893 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.400 -2.785 7.274 1.00 0.00 C ATOM 1398 CD2 TYR A 95 5.383 -5.148 7.575 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.317 -2.656 8.300 1.00 0.00 C ATOM 1400 CE2 TYR A 95 6.297 -5.028 8.604 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.762 -3.779 8.962 1.00 0.00 C ATOM 1402 OH TYR A 95 7.672 -3.655 9.986 1.00 0.00 O ATOM 0 H TYR A 95 5.558 -2.233 4.435 1.00 0.00 H new ATOM 0 HA TYR A 95 4.722 -5.014 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.127 -3.421 5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.428 -5.146 5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.051 -1.902 6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.023 -6.127 7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.683 -1.680 8.581 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.646 -5.907 9.126 1.00 0.00 H new ATOM 0 HH TYR A 95 7.292 -3.095 10.695 1.00 0.00 H new ATOM 1412 N CYS A 96 2.381 -4.115 3.153 1.00 0.00 N ATOM 1413 CA CYS A 96 1.295 -3.604 2.337 1.00 0.00 C ATOM 1414 C CYS A 96 -0.009 -3.703 3.117 1.00 0.00 C ATOM 1415 O CYS A 96 -0.257 -4.699 3.797 1.00 0.00 O ATOM 1416 CB CYS A 96 1.202 -4.374 1.018 1.00 0.00 C ATOM 1417 SG CYS A 96 0.117 -5.835 1.074 1.00 0.00 S ATOM 0 H CYS A 96 2.265 -5.085 3.448 1.00 0.00 H new ATOM 0 HA CYS A 96 1.487 -2.559 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.842 -3.699 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.203 -4.691 0.725 1.00 0.00 H new ATOM 1422 N ALA A 97 -0.824 -2.661 3.046 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.084 -2.642 3.778 1.00 0.00 C ATOM 1424 C ALA A 97 -3.179 -1.899 3.022 1.00 0.00 C ATOM 1425 O ALA A 97 -2.905 -1.104 2.121 1.00 0.00 O ATOM 1426 CB ALA A 97 -1.877 -2.017 5.147 1.00 0.00 C ATOM 0 H ALA A 97 -0.639 -1.823 2.494 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.413 -3.675 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.823 -2.006 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.145 -2.600 5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.514 -0.996 5.030 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.423 -2.166 3.412 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.582 -1.536 2.794 1.00 0.00 C ATOM 1434 C LYS A 98 -6.008 -0.304 3.590 1.00 0.00 C ATOM 1435 O LYS A 98 -6.198 -0.373 4.805 1.00 0.00 O ATOM 1436 CB LYS A 98 -6.740 -2.535 2.707 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.094 -1.890 2.471 1.00 0.00 C ATOM 1438 CD LYS A 98 -8.885 -1.777 3.764 1.00 0.00 C ATOM 1439 CE LYS A 98 -9.718 -3.023 4.021 1.00 0.00 C ATOM 1440 NZ LYS A 98 -10.178 -3.656 2.754 1.00 0.00 N ATOM 0 H LYS A 98 -4.653 -2.820 4.160 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.311 -1.221 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.539 -3.240 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.780 -3.112 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.957 -0.899 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.658 -2.478 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.201 -1.618 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.538 -0.905 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.130 -3.741 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.583 -2.762 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.889 -4.384 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.599 -2.932 2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.368 -4.094 2.271 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.156 0.820 2.897 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.555 2.068 3.536 1.00 0.00 C ATOM 1456 C TYR A 99 -8.070 2.143 3.679 1.00 0.00 C ATOM 1457 O TYR A 99 -8.810 1.595 2.861 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.055 3.261 2.721 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.035 4.113 3.442 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -5.420 4.993 4.445 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -3.687 4.040 3.114 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -4.490 5.778 5.100 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -2.751 4.819 3.767 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.157 5.686 4.758 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.228 6.466 5.409 1.00 0.00 O ATOM 0 H TYR A 99 -6.005 0.892 1.891 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.109 2.098 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.617 2.896 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.907 3.884 2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.463 5.065 4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.365 3.363 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.805 6.460 5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.706 4.749 3.502 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.496 6.684 4.795 1.00 0.00 H new ATOM 1475 N SER A 100 -8.526 2.823 4.725 1.00 0.00 N ATOM 1476 CA SER A 100 -9.953 2.968 4.978 1.00 0.00 C ATOM 1477 C SER A 100 -10.442 4.358 4.582 1.00 0.00 C ATOM 1478 O SER A 100 -11.328 4.497 3.737 1.00 0.00 O ATOM 1479 CB SER A 100 -10.257 2.710 6.455 1.00 0.00 C ATOM 1480 OG SER A 100 -10.661 1.367 6.665 1.00 0.00 O ATOM 0 H SER A 100 -7.927 3.282 5.411 1.00 0.00 H new ATOM 0 HA SER A 100 -10.480 2.233 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.373 2.925 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.043 3.386 6.792 1.00 0.00 H new ATOM 0 HG SER A 100 -10.848 1.227 7.617 1.00 0.00 H new ATOM 1486 N GLY A 101 -9.863 5.383 5.199 1.00 0.00 N ATOM 1487 CA GLY A 101 -10.255 6.747 4.899 1.00 0.00 C ATOM 1488 C GLY A 101 -9.113 7.732 5.058 1.00 0.00 C ATOM 1489 O GLY A 101 -9.028 8.717 4.323 1.00 0.00 O ATOM 0 H GLY A 101 -9.129 5.293 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.632 6.796 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.075 7.038 5.556 1.00 0.00 H new ATOM 1493 N GLY A 102 -8.235 7.469 6.021 1.00 0.00 N ATOM 1494 CA GLY A 102 -7.105 8.350 6.257 1.00 0.00 C ATOM 1495 C GLY A 102 -6.132 7.789 7.276 1.00 0.00 C ATOM 1496 O GLY A 102 -5.234 8.493 7.741 1.00 0.00 O ATOM 0 H GLY A 102 -8.286 6.662 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.581 8.523 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.469 9.318 6.602 1.00 0.00 H new ATOM 1500 N ALA A 103 -6.309 6.518 7.621 1.00 0.00 N ATOM 1501 CA ALA A 103 -5.440 5.857 8.588 1.00 0.00 C ATOM 1502 C ALA A 103 -5.255 4.385 8.236 1.00 0.00 C ATOM 1503 O ALA A 103 -6.177 3.583 8.383 1.00 0.00 O ATOM 1504 CB ALA A 103 -6.009 5.997 9.992 1.00 0.00 C ATOM 0 H ALA A 103 -7.048 5.924 7.245 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.464 6.340 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.350 5.499 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.088 7.053 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.997 5.539 10.031 1.00 0.00 H new ATOM 1510 N LEU A 104 -4.059 4.035 7.771 1.00 0.00 N ATOM 1511 CA LEU A 104 -3.763 2.656 7.399 1.00 0.00 C ATOM 1512 C LEU A 104 -3.709 1.761 8.634 1.00 0.00 C ATOM 1513 O LEU A 104 -3.633 2.247 9.762 1.00 0.00 O ATOM 1514 CB LEU A 104 -2.441 2.576 6.625 1.00 0.00 C ATOM 1515 CG LEU A 104 -2.270 1.327 5.749 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.541 1.018 4.988 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -1.131 1.501 4.767 1.00 0.00 C ATOM 0 H LEU A 104 -3.283 4.684 7.643 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.565 2.301 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.356 3.459 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.618 2.615 7.339 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.042 0.496 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.391 0.129 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.353 0.841 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.795 1.862 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.033 0.601 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.335 2.354 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.203 1.673 5.313 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.754 0.453 8.409 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.716 -0.516 9.495 1.00 0.00 C ATOM 1531 C ASP A 105 -2.376 -1.245 9.522 1.00 0.00 C ATOM 1532 O ASP A 105 -1.925 -1.700 10.573 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.858 -1.523 9.339 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.870 -1.435 10.463 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -6.453 -0.348 10.653 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -6.080 -2.454 11.154 1.00 0.00 O ATOM 0 H ASP A 105 -3.817 0.039 7.479 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.836 0.018 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.361 -1.351 8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.446 -2.532 9.304 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.748 -1.345 8.352 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.456 -2.011 8.214 1.00 0.00 C ATOM 1543 C ALA A 106 -0.528 -3.478 8.607 1.00 0.00 C ATOM 1544 O ALA A 106 -0.671 -3.816 9.783 1.00 0.00 O ATOM 1545 CB ALA A 106 0.607 -1.307 9.037 1.00 0.00 C ATOM 0 H ALA A 106 -2.118 -0.969 7.479 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.183 -1.958 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.560 -1.822 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.707 -0.276 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.319 -1.316 10.088 1.00 0.00 H new ATOM 1551 N TRP A 107 -0.411 -4.346 7.613 1.00 0.00 N ATOM 1552 CA TRP A 107 -0.443 -5.781 7.839 1.00 0.00 C ATOM 1553 C TRP A 107 0.761 -6.443 7.176 1.00 0.00 C ATOM 1554 O TRP A 107 1.901 -6.024 7.378 1.00 0.00 O ATOM 1555 CB TRP A 107 -1.748 -6.379 7.301 1.00 0.00 C ATOM 1556 CG TRP A 107 -2.980 -5.654 7.747 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -3.304 -5.285 9.021 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.059 -5.221 6.917 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -4.519 -4.643 9.030 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.002 -4.591 7.749 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -4.314 -5.302 5.548 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.185 -4.047 7.252 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -5.486 -4.764 5.056 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.407 -4.144 5.905 1.00 0.00 C ATOM 0 H TRP A 107 -0.292 -4.078 6.636 1.00 0.00 H new ATOM 0 HA TRP A 107 -0.397 -5.967 8.912 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -1.713 -6.379 6.212 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -1.817 -7.420 7.618 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -2.695 -5.470 9.893 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -4.985 -4.267 9.856 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -3.607 -5.777 4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.899 -3.567 7.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.695 -4.823 3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.314 -3.732 5.489 1.00 0.00 H new ATOM 1575 N GLY A 108 0.502 -7.470 6.383 1.00 0.00 N ATOM 1576 CA GLY A 108 1.565 -8.172 5.692 1.00 0.00 C ATOM 1577 C GLY A 108 2.437 -8.983 6.630 1.00 0.00 C ATOM 1578 O GLY A 108 2.253 -8.950 7.847 1.00 0.00 O ATOM 0 H GLY A 108 -0.434 -7.834 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.131 -8.834 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.185 -7.451 5.159 1.00 0.00 H new ATOM 1582 N GLN A 109 3.388 -9.717 6.059 1.00 0.00 N ATOM 1583 CA GLN A 109 4.294 -10.546 6.845 1.00 0.00 C ATOM 1584 C GLN A 109 5.493 -9.738 7.334 1.00 0.00 C ATOM 1585 O GLN A 109 5.977 -9.941 8.447 1.00 0.00 O ATOM 1586 CB GLN A 109 4.771 -11.738 6.016 1.00 0.00 C ATOM 1587 CG GLN A 109 4.374 -13.083 6.601 1.00 0.00 C ATOM 1588 CD GLN A 109 4.439 -14.203 5.581 1.00 0.00 C ATOM 1589 OE1 GLN A 109 3.382 -14.344 4.789 1.00 0.00 O flip ATOM 1590 NE2 GLN A 109 5.427 -14.934 5.505 1.00 0.00 N flip ATOM 0 H GLN A 109 3.551 -9.754 5.053 1.00 0.00 H new ATOM 0 HA GLN A 109 3.749 -10.910 7.716 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.364 -11.655 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.856 -11.696 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.031 -13.320 7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.362 -13.017 7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.217 -14.790 6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 109 5.455 -15.683 4.814 1.00 0.00 H new ATOM 1599 N GLY A 110 5.967 -8.821 6.495 1.00 0.00 N ATOM 1600 CA GLY A 110 7.104 -7.998 6.863 1.00 0.00 C ATOM 1601 C GLY A 110 8.364 -8.374 6.111 1.00 0.00 C ATOM 1602 O GLY A 110 9.076 -9.296 6.504 1.00 0.00 O ATOM 0 H GLY A 110 5.584 -8.634 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.868 -6.952 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.283 -8.091 7.934 1.00 0.00 H new ATOM 1606 N THR A 111 8.643 -7.655 5.026 1.00 0.00 N ATOM 1607 CA THR A 111 9.830 -7.920 4.224 1.00 0.00 C ATOM 1608 C THR A 111 10.992 -7.033 4.655 1.00 0.00 C ATOM 1609 O THR A 111 10.823 -5.833 4.876 1.00 0.00 O ATOM 1610 CB THR A 111 9.561 -7.709 2.722 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.735 -8.025 1.967 1.00 0.00 O ATOM 1612 CG2 THR A 111 9.140 -6.275 2.437 1.00 0.00 C ATOM 0 H THR A 111 8.064 -6.888 4.685 1.00 0.00 H new ATOM 0 HA THR A 111 10.093 -8.965 4.388 1.00 0.00 H new ATOM 0 HB THR A 111 8.747 -8.372 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.804 -8.997 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.957 -6.155 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.229 -6.047 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.933 -5.594 2.748 1.00 0.00 H new ATOM 1620 N GLN A 112 12.172 -7.630 4.779 1.00 0.00 N ATOM 1621 CA GLN A 112 13.358 -6.892 5.192 1.00 0.00 C ATOM 1622 C GLN A 112 14.029 -6.212 4.004 1.00 0.00 C ATOM 1623 O GLN A 112 14.688 -6.863 3.192 1.00 0.00 O ATOM 1624 CB GLN A 112 14.351 -7.828 5.889 1.00 0.00 C ATOM 1625 CG GLN A 112 15.728 -7.216 6.098 1.00 0.00 C ATOM 1626 CD GLN A 112 15.974 -6.806 7.538 1.00 0.00 C ATOM 1627 OE1 GLN A 112 16.364 -7.625 8.370 1.00 0.00 O ATOM 1628 NE2 GLN A 112 15.747 -5.532 7.838 1.00 0.00 N ATOM 0 H GLN A 112 12.332 -8.621 4.600 1.00 0.00 H new ATOM 0 HA GLN A 112 13.042 -6.119 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.943 -8.120 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.454 -8.738 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.490 -7.933 5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.835 -6.344 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.424 -4.888 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 112 15.896 -5.198 8.790 1.00 0.00 H new ATOM 1637 N VAL A 113 13.876 -4.893 3.921 1.00 0.00 N ATOM 1638 CA VAL A 113 14.484 -4.120 2.848 1.00 0.00 C ATOM 1639 C VAL A 113 15.688 -3.355 3.383 1.00 0.00 C ATOM 1640 O VAL A 113 15.544 -2.465 4.221 1.00 0.00 O ATOM 1641 CB VAL A 113 13.480 -3.132 2.220 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.200 -2.101 1.363 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.444 -3.881 1.398 1.00 0.00 C ATOM 0 H VAL A 113 13.335 -4.339 4.586 1.00 0.00 H new ATOM 0 HA VAL A 113 14.801 -4.817 2.072 1.00 0.00 H new ATOM 0 HB VAL A 113 12.969 -2.605 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.472 -1.415 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.903 -1.542 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.742 -2.607 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.743 -3.170 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.942 -4.435 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.903 -4.576 2.040 1.00 0.00 H new ATOM 1653 N THR A 114 16.874 -3.720 2.914 1.00 0.00 N ATOM 1654 CA THR A 114 18.097 -3.075 3.371 1.00 0.00 C ATOM 1655 C THR A 114 18.999 -2.701 2.202 1.00 0.00 C ATOM 1656 O THR A 114 19.030 -3.389 1.183 1.00 0.00 O ATOM 1657 CB THR A 114 18.868 -3.994 4.340 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.145 -4.123 5.569 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.265 -3.460 4.625 1.00 0.00 C ATOM 0 H THR A 114 17.015 -4.455 2.221 1.00 0.00 H new ATOM 0 HA THR A 114 17.807 -2.163 3.892 1.00 0.00 H new ATOM 0 HB THR A 114 18.968 -4.970 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.639 -4.709 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.779 -4.133 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.826 -3.394 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 114 20.191 -2.470 5.075 1.00 0.00 H new ATOM 1667 N VAL A 115 19.740 -1.611 2.362 1.00 0.00 N ATOM 1668 CA VAL A 115 20.655 -1.152 1.327 1.00 0.00 C ATOM 1669 C VAL A 115 22.100 -1.406 1.744 1.00 0.00 C ATOM 1670 O VAL A 115 22.652 -0.698 2.588 1.00 0.00 O ATOM 1671 CB VAL A 115 20.449 0.346 1.011 1.00 0.00 C ATOM 1672 CG1 VAL A 115 20.179 1.141 2.279 1.00 0.00 C ATOM 1673 CG2 VAL A 115 21.642 0.917 0.262 1.00 0.00 C ATOM 0 H VAL A 115 19.724 -1.029 3.200 1.00 0.00 H new ATOM 0 HA VAL A 115 20.440 -1.719 0.421 1.00 0.00 H new ATOM 0 HB VAL A 115 19.574 0.430 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.038 2.192 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 115 19.279 0.760 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 115 21.026 1.042 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 115 21.469 1.973 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 115 22.539 0.810 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 115 21.774 0.378 -0.676 1.00 0.00 H new ATOM 1683 N SER A 116 22.697 -2.433 1.154 1.00 0.00 N ATOM 1684 CA SER A 116 24.074 -2.804 1.462 1.00 0.00 C ATOM 1685 C SER A 116 24.663 -3.684 0.363 1.00 0.00 C ATOM 1686 O SER A 116 24.279 -4.844 0.212 1.00 0.00 O ATOM 1687 CB SER A 116 24.133 -3.542 2.801 1.00 0.00 C ATOM 1688 OG SER A 116 25.036 -2.911 3.694 1.00 0.00 O ATOM 0 H SER A 116 22.248 -3.027 0.457 1.00 0.00 H new ATOM 0 HA SER A 116 24.664 -1.890 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 116 23.139 -3.573 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 116 24.441 -4.575 2.637 1.00 0.00 H new ATOM 0 HG SER A 116 25.053 -3.401 4.542 1.00 0.00 H new