USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 925 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 69 ASN : amide:sc= -0.602 K(o=-3.4,f=-5.5) USER MOD Set 1.2: A 73 TYR OH : rot 101:sc= -0.0395 USER MOD Set 1.3: A 90 MET CE :methyl 166:sc= -2.73! (180deg=-3.73!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.071) USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 TYR OH : rot 6:sc= -0.155 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -4.94! C(o=-5.1!,f=-15!) USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 0.0115 USER MOD Set 4.2: A 32 ASN : amide:sc= -0.198 K(o=-0.16,f=-0.72) USER MOD Set 4.3: A 36 SER OG : rot 80:sc= 0.0231 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.621 K(o=0.62,f=-4.9!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 12 GLN :FLIP amide:sc=-0.000126 F(o=-1.4,f=-0.00013) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -141:sc= -0.0447 USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= -0.11 (180deg=-0.934) USER MOD Single : A 22 THR OG1 : rot -90:sc= 0.91 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.794 F(o=-3.2,f=-0.79) USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.334) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 39 ASN : amide:sc= -3.42! C(o=-3.4!,f=-11!) USER MOD Single : A 42 SER OG : rot 130:sc= -0.215 USER MOD Single : A 44 CYS SG : rot 69:sc= -1.83 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -3.74 F(o=-4.3,f=-3.7) USER MOD Single : A 57 TYR OH : rot 38:sc= -0.133 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.43 F(o=-2.2,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= -13.6! C(o=-14!,f=-18!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0114 (180deg=-0.156) USER MOD Single : A 68 ASN : amide:sc= 0.108 K(o=0.11,f=-2.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.185) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.162 USER MOD Single : A 98 LYS NZ :NH3+ -154:sc=-0.00911 (180deg=-0.759) USER MOD Single : A 100 THR OG1 : rot -160:sc= -0.795 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 104 TYR OH : rot 15:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 111 HIS : no HD1:sc= -0.728 K(o=-0.73,f=-1.6) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -8:sc= 0.372 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.767 -10.681 -16.421 1.00 0.00 N ATOM 2 CA GLY A 1 15.326 -11.904 -15.876 1.00 0.00 C ATOM 3 C GLY A 1 16.097 -11.668 -14.593 1.00 0.00 C ATOM 4 O GLY A 1 16.884 -10.726 -14.498 1.00 0.00 O ATOM 0 H1 GLY A 1 14.250 -10.896 -17.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.115 -10.259 -15.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.535 -10.010 -16.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.522 -12.615 -15.687 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.986 -12.359 -16.615 1.00 0.00 H new ATOM 8 N SER A 2 15.870 -12.524 -13.601 1.00 0.00 N ATOM 9 CA SER A 2 16.545 -12.400 -12.315 1.00 0.00 C ATOM 10 C SER A 2 17.857 -13.179 -12.313 1.00 0.00 C ATOM 11 O SER A 2 17.917 -14.314 -11.841 1.00 0.00 O ATOM 12 CB SER A 2 15.639 -12.903 -11.189 1.00 0.00 C ATOM 13 OG SER A 2 16.031 -12.363 -9.939 1.00 0.00 O ATOM 0 H SER A 2 15.224 -13.311 -13.664 1.00 0.00 H new ATOM 0 HA SER A 2 16.768 -11.346 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.605 -12.628 -11.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.677 -13.992 -11.146 1.00 0.00 H new ATOM 0 HG SER A 2 15.436 -12.698 -9.237 1.00 0.00 H new ATOM 19 N SER A 3 18.907 -12.559 -12.843 1.00 0.00 N ATOM 20 CA SER A 3 20.218 -13.194 -12.907 1.00 0.00 C ATOM 21 C SER A 3 20.528 -13.931 -11.608 1.00 0.00 C ATOM 22 O SER A 3 20.711 -15.148 -11.599 1.00 0.00 O ATOM 23 CB SER A 3 21.301 -12.150 -13.185 1.00 0.00 C ATOM 24 OG SER A 3 21.090 -11.517 -14.436 1.00 0.00 O ATOM 0 H SER A 3 18.875 -11.618 -13.234 1.00 0.00 H new ATOM 0 HA SER A 3 20.204 -13.918 -13.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.303 -11.403 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.281 -12.627 -13.176 1.00 0.00 H new ATOM 0 HG SER A 3 21.794 -10.853 -14.590 1.00 0.00 H new ATOM 30 N GLY A 4 20.585 -13.184 -10.509 1.00 0.00 N ATOM 31 CA GLY A 4 20.873 -13.782 -9.219 1.00 0.00 C ATOM 32 C GLY A 4 21.490 -12.795 -8.248 1.00 0.00 C ATOM 33 O GLY A 4 22.607 -13.000 -7.770 1.00 0.00 O ATOM 0 H GLY A 4 20.437 -12.175 -10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.952 -14.179 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.551 -14.625 -9.356 1.00 0.00 H new ATOM 37 N SER A 5 20.764 -11.722 -7.955 1.00 0.00 N ATOM 38 CA SER A 5 21.250 -10.697 -7.038 1.00 0.00 C ATOM 39 C SER A 5 20.286 -10.512 -5.870 1.00 0.00 C ATOM 40 O SER A 5 19.070 -10.461 -6.056 1.00 0.00 O ATOM 41 CB SER A 5 21.435 -9.369 -7.776 1.00 0.00 C ATOM 42 OG SER A 5 20.222 -8.941 -8.369 1.00 0.00 O ATOM 0 H SER A 5 19.837 -11.539 -8.339 1.00 0.00 H new ATOM 0 HA SER A 5 22.213 -11.023 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.791 -8.609 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.200 -9.480 -8.545 1.00 0.00 H new ATOM 0 HG SER A 5 20.367 -8.090 -8.833 1.00 0.00 H new ATOM 48 N SER A 6 20.838 -10.411 -4.666 1.00 0.00 N ATOM 49 CA SER A 6 20.029 -10.236 -3.466 1.00 0.00 C ATOM 50 C SER A 6 19.706 -8.762 -3.239 1.00 0.00 C ATOM 51 O SER A 6 20.362 -7.879 -3.789 1.00 0.00 O ATOM 52 CB SER A 6 20.757 -10.804 -2.246 1.00 0.00 C ATOM 53 OG SER A 6 21.024 -12.186 -2.409 1.00 0.00 O ATOM 0 H SER A 6 21.843 -10.447 -4.495 1.00 0.00 H new ATOM 0 HA SER A 6 19.094 -10.778 -3.606 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.692 -10.265 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.151 -10.650 -1.353 1.00 0.00 H new ATOM 0 HG SER A 6 21.491 -12.525 -1.617 1.00 0.00 H new ATOM 59 N GLY A 7 18.688 -8.504 -2.423 1.00 0.00 N ATOM 60 CA GLY A 7 18.294 -7.137 -2.137 1.00 0.00 C ATOM 61 C GLY A 7 17.756 -6.421 -3.360 1.00 0.00 C ATOM 62 O GLY A 7 18.459 -5.652 -4.015 1.00 0.00 O ATOM 0 H GLY A 7 18.129 -9.218 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.534 -7.137 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.152 -6.589 -1.747 1.00 0.00 H new ATOM 66 N PRO A 8 16.479 -6.674 -3.684 1.00 0.00 N ATOM 67 CA PRO A 8 15.818 -6.058 -4.838 1.00 0.00 C ATOM 68 C PRO A 8 15.575 -4.566 -4.640 1.00 0.00 C ATOM 69 O PRO A 8 15.031 -3.894 -5.515 1.00 0.00 O ATOM 70 CB PRO A 8 14.488 -6.810 -4.928 1.00 0.00 C ATOM 71 CG PRO A 8 14.231 -7.292 -3.542 1.00 0.00 C ATOM 72 CD PRO A 8 15.581 -7.580 -2.947 1.00 0.00 C ATOM 0 HA PRO A 8 16.425 -6.128 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.687 -6.157 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.550 -7.641 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.700 -6.539 -2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.609 -8.187 -3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.599 -7.380 -1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.865 -8.624 -3.081 1.00 0.00 H new ATOM 80 N ASN A 9 15.982 -4.054 -3.482 1.00 0.00 N ATOM 81 CA ASN A 9 15.807 -2.640 -3.169 1.00 0.00 C ATOM 82 C ASN A 9 15.954 -1.783 -4.422 1.00 0.00 C ATOM 83 O ASN A 9 17.065 -1.431 -4.819 1.00 0.00 O ATOM 84 CB ASN A 9 16.825 -2.201 -2.115 1.00 0.00 C ATOM 85 CG ASN A 9 16.778 -3.065 -0.870 1.00 0.00 C ATOM 86 OD1 ASN A 9 16.997 -4.275 -0.932 1.00 0.00 O ATOM 87 ND2 ASN A 9 16.490 -2.447 0.270 1.00 0.00 N ATOM 0 H ASN A 9 16.434 -4.596 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 9 14.801 -2.503 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 9 17.827 -2.240 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 9 16.635 -1.163 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.443 -2.977 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.315 -1.442 0.275 1.00 0.00 H new ATOM 94 N ALA A 10 14.826 -1.450 -5.041 1.00 0.00 N ATOM 95 CA ALA A 10 14.829 -0.632 -6.247 1.00 0.00 C ATOM 96 C ALA A 10 13.454 -0.023 -6.501 1.00 0.00 C ATOM 97 O ALA A 10 12.443 -0.725 -6.492 1.00 0.00 O ATOM 98 CB ALA A 10 15.271 -1.460 -7.445 1.00 0.00 C ATOM 0 H ALA A 10 13.898 -1.734 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 10 15.537 0.184 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.269 -0.836 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.277 -1.842 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.584 -2.295 -7.583 1.00 0.00 H new ATOM 104 N SER A 11 13.424 1.286 -6.726 1.00 0.00 N ATOM 105 CA SER A 11 12.172 1.990 -6.978 1.00 0.00 C ATOM 106 C SER A 11 11.288 1.201 -7.938 1.00 0.00 C ATOM 107 O SER A 11 10.159 0.842 -7.606 1.00 0.00 O ATOM 108 CB SER A 11 12.451 3.381 -7.550 1.00 0.00 C ATOM 109 OG SER A 11 13.306 3.307 -8.678 1.00 0.00 O ATOM 0 H SER A 11 14.252 1.881 -6.739 1.00 0.00 H new ATOM 0 HA SER A 11 11.645 2.094 -6.029 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.512 3.857 -7.832 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.908 4.008 -6.784 1.00 0.00 H new ATOM 0 HG SER A 11 13.467 4.209 -9.026 1.00 0.00 H new ATOM 115 N GLN A 12 11.812 0.933 -9.131 1.00 0.00 N ATOM 116 CA GLN A 12 11.071 0.187 -10.140 1.00 0.00 C ATOM 117 C GLN A 12 10.509 -1.106 -9.558 1.00 0.00 C ATOM 118 O GLN A 12 9.310 -1.370 -9.650 1.00 0.00 O ATOM 119 CB GLN A 12 11.971 -0.128 -11.336 1.00 0.00 C ATOM 120 CG GLN A 12 11.241 -0.798 -12.488 1.00 0.00 C ATOM 121 CD GLN A 12 10.331 0.156 -13.236 1.00 0.00 C ATOM 122 OE1 GLN A 12 9.025 -0.024 -13.077 1.00 0.00 O flip ATOM 123 NE2 GLN A 12 10.796 1.045 -13.950 1.00 0.00 N flip ATOM 0 H GLN A 12 12.746 1.222 -9.421 1.00 0.00 H new ATOM 0 HA GLN A 12 10.238 0.806 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.424 0.797 -11.693 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.784 -0.775 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.971 -1.217 -13.181 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.652 -1.631 -12.104 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.806 1.148 -14.044 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.171 1.679 -14.448 1.00 0.00 H new ATOM 132 N SER A 13 11.383 -1.908 -8.959 1.00 0.00 N ATOM 133 CA SER A 13 10.974 -3.176 -8.365 1.00 0.00 C ATOM 134 C SER A 13 9.753 -2.988 -7.471 1.00 0.00 C ATOM 135 O SER A 13 8.769 -3.722 -7.580 1.00 0.00 O ATOM 136 CB SER A 13 12.125 -3.779 -7.556 1.00 0.00 C ATOM 137 OG SER A 13 12.976 -4.554 -8.382 1.00 0.00 O ATOM 0 H SER A 13 12.378 -1.703 -8.872 1.00 0.00 H new ATOM 0 HA SER A 13 10.710 -3.859 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.699 -2.982 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.725 -4.401 -6.755 1.00 0.00 H new ATOM 0 HG SER A 13 13.704 -4.927 -7.843 1.00 0.00 H new ATOM 143 N LEU A 14 9.822 -2.000 -6.585 1.00 0.00 N ATOM 144 CA LEU A 14 8.722 -1.714 -5.671 1.00 0.00 C ATOM 145 C LEU A 14 7.444 -1.392 -6.439 1.00 0.00 C ATOM 146 O LEU A 14 6.431 -2.078 -6.296 1.00 0.00 O ATOM 147 CB LEU A 14 9.087 -0.546 -4.753 1.00 0.00 C ATOM 148 CG LEU A 14 7.970 -0.032 -3.844 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.588 -1.087 -2.818 1.00 0.00 C ATOM 150 CD2 LEU A 14 8.393 1.257 -3.155 1.00 0.00 C ATOM 0 H LEU A 14 10.628 -1.384 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 14 8.545 -2.603 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.926 -0.850 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.434 0.281 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 14 7.096 0.179 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.792 -0.703 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.241 -1.984 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.457 -1.331 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.586 1.608 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.282 1.073 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.615 2.015 -3.906 1.00 0.00 H new ATOM 162 N LEU A 15 7.499 -0.346 -7.256 1.00 0.00 N ATOM 163 CA LEU A 15 6.347 0.066 -8.050 1.00 0.00 C ATOM 164 C LEU A 15 5.711 -1.131 -8.749 1.00 0.00 C ATOM 165 O LEU A 15 4.493 -1.306 -8.720 1.00 0.00 O ATOM 166 CB LEU A 15 6.764 1.113 -9.084 1.00 0.00 C ATOM 167 CG LEU A 15 5.627 1.774 -9.866 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.028 2.922 -9.068 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.125 2.265 -11.218 1.00 0.00 C ATOM 0 H LEU A 15 8.329 0.232 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 15 5.610 0.503 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.329 1.893 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.442 0.642 -9.796 1.00 0.00 H new ATOM 0 HG LEU A 15 4.848 1.031 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.221 3.380 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.635 2.543 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.798 3.666 -8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.303 2.732 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.922 2.993 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.507 1.422 -11.793 1.00 0.00 H new ATOM 181 N VAL A 16 6.545 -1.955 -9.377 1.00 0.00 N ATOM 182 CA VAL A 16 6.065 -3.138 -10.081 1.00 0.00 C ATOM 183 C VAL A 16 5.391 -4.113 -9.122 1.00 0.00 C ATOM 184 O VAL A 16 4.328 -4.657 -9.419 1.00 0.00 O ATOM 185 CB VAL A 16 7.213 -3.862 -10.809 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.696 -5.102 -11.522 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.900 -2.921 -11.788 1.00 0.00 C ATOM 0 H VAL A 16 7.556 -1.825 -9.412 1.00 0.00 H new ATOM 0 HA VAL A 16 5.337 -2.795 -10.816 1.00 0.00 H new ATOM 0 HB VAL A 16 7.947 -4.178 -10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.521 -5.600 -12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.255 -5.783 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.941 -4.813 -12.253 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.709 -3.449 -12.294 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.177 -2.572 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.307 -2.067 -11.247 1.00 0.00 H new ATOM 197 N TRP A 17 6.017 -4.328 -7.970 1.00 0.00 N ATOM 198 CA TRP A 17 5.477 -5.238 -6.966 1.00 0.00 C ATOM 199 C TRP A 17 4.032 -4.885 -6.632 1.00 0.00 C ATOM 200 O TRP A 17 3.168 -5.761 -6.569 1.00 0.00 O ATOM 201 CB TRP A 17 6.332 -5.196 -5.698 1.00 0.00 C ATOM 202 CG TRP A 17 5.812 -6.077 -4.602 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.118 -7.391 -4.393 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.895 -5.706 -3.567 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.446 -7.861 -3.291 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.690 -6.846 -2.766 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.229 -4.523 -3.238 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.846 -6.835 -1.658 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.391 -4.514 -2.139 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.206 -5.663 -1.360 1.00 0.00 C ATOM 0 H TRP A 17 6.898 -3.885 -7.708 1.00 0.00 H new ATOM 0 HA TRP A 17 5.498 -6.247 -7.377 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.350 -5.497 -5.945 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.382 -4.169 -5.336 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.790 -7.975 -5.004 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.501 -8.811 -2.923 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.366 -3.631 -3.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.702 -7.720 -1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.870 -3.605 -1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.545 -5.623 -0.507 1.00 0.00 H new ATOM 221 N CYS A 18 3.776 -3.599 -6.420 1.00 0.00 N ATOM 222 CA CYS A 18 2.434 -3.131 -6.092 1.00 0.00 C ATOM 223 C CYS A 18 1.475 -3.370 -7.254 1.00 0.00 C ATOM 224 O CYS A 18 0.413 -3.969 -7.085 1.00 0.00 O ATOM 225 CB CYS A 18 2.463 -1.644 -5.737 1.00 0.00 C ATOM 226 SG CYS A 18 3.699 -1.206 -4.492 1.00 0.00 S ATOM 0 H CYS A 18 4.480 -2.862 -6.469 1.00 0.00 H new ATOM 0 HA CYS A 18 2.079 -3.696 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.656 -1.069 -6.643 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.478 -1.349 -5.375 1.00 0.00 H new ATOM 0 HG CYS A 18 3.206 -0.312 -3.687 1.00 0.00 H new ATOM 232 N LYS A 19 1.856 -2.896 -8.436 1.00 0.00 N ATOM 233 CA LYS A 19 1.032 -3.057 -9.627 1.00 0.00 C ATOM 234 C LYS A 19 0.787 -4.533 -9.924 1.00 0.00 C ATOM 235 O LYS A 19 -0.267 -4.905 -10.438 1.00 0.00 O ATOM 236 CB LYS A 19 1.701 -2.388 -10.830 1.00 0.00 C ATOM 237 CG LYS A 19 1.907 -0.893 -10.657 1.00 0.00 C ATOM 238 CD LYS A 19 3.046 -0.383 -11.525 1.00 0.00 C ATOM 239 CE LYS A 19 2.673 -0.401 -13.000 1.00 0.00 C ATOM 240 NZ LYS A 19 2.958 -1.721 -13.628 1.00 0.00 N ATOM 0 H LYS A 19 2.731 -2.397 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 19 0.071 -2.578 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.667 -2.861 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.092 -2.562 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.988 -0.366 -10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.119 -0.673 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.306 0.633 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.931 -0.999 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.614 -0.168 -13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.227 0.378 -13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.486 -1.578 -14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.525 -2.300 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.062 -2.208 -13.835 1.00 0.00 H new ATOM 254 N GLU A 20 1.768 -5.368 -9.596 1.00 0.00 N ATOM 255 CA GLU A 20 1.657 -6.804 -9.828 1.00 0.00 C ATOM 256 C GLU A 20 0.514 -7.400 -9.012 1.00 0.00 C ATOM 257 O GLU A 20 -0.504 -7.821 -9.562 1.00 0.00 O ATOM 258 CB GLU A 20 2.971 -7.503 -9.474 1.00 0.00 C ATOM 259 CG GLU A 20 3.231 -8.759 -10.289 1.00 0.00 C ATOM 260 CD GLU A 20 4.699 -9.140 -10.321 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.507 -8.347 -10.848 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.039 -10.231 -9.819 1.00 0.00 O ATOM 0 H GLU A 20 2.647 -5.076 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 20 1.445 -6.960 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.795 -6.806 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.961 -7.762 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.654 -9.584 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.877 -8.606 -11.308 1.00 0.00 H new ATOM 269 N VAL A 21 0.691 -7.434 -7.694 1.00 0.00 N ATOM 270 CA VAL A 21 -0.325 -7.978 -6.801 1.00 0.00 C ATOM 271 C VAL A 21 -1.690 -7.359 -7.079 1.00 0.00 C ATOM 272 O VAL A 21 -2.727 -7.952 -6.777 1.00 0.00 O ATOM 273 CB VAL A 21 0.042 -7.741 -5.324 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.499 -8.100 -5.071 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.235 -6.297 -4.931 1.00 0.00 C ATOM 0 H VAL A 21 1.528 -7.091 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.371 -9.051 -6.990 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.580 -8.388 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.740 -7.926 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.662 -9.151 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.140 -7.481 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.030 -6.148 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.360 -5.630 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.293 -6.078 -5.072 1.00 0.00 H new ATOM 285 N THR A 22 -1.685 -6.162 -7.658 1.00 0.00 N ATOM 286 CA THR A 22 -2.923 -5.462 -7.977 1.00 0.00 C ATOM 287 C THR A 22 -3.213 -5.514 -9.473 1.00 0.00 C ATOM 288 O THR A 22 -3.843 -4.611 -10.025 1.00 0.00 O ATOM 289 CB THR A 22 -2.868 -3.990 -7.526 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.827 -3.302 -8.228 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.627 -3.892 -6.028 1.00 0.00 C ATOM 0 H THR A 22 -0.837 -5.657 -7.916 1.00 0.00 H new ATOM 0 HA THR A 22 -3.722 -5.969 -7.437 1.00 0.00 H new ATOM 0 HB THR A 22 -3.828 -3.526 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.991 -3.367 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.592 -2.843 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.436 -4.392 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.680 -4.370 -5.780 1.00 0.00 H new ATOM 299 N LYS A 23 -2.752 -6.575 -10.124 1.00 0.00 N ATOM 300 CA LYS A 23 -2.964 -6.746 -11.557 1.00 0.00 C ATOM 301 C LYS A 23 -4.419 -7.091 -11.854 1.00 0.00 C ATOM 302 O LYS A 23 -4.956 -8.065 -11.328 1.00 0.00 O ATOM 303 CB LYS A 23 -2.047 -7.844 -12.101 1.00 0.00 C ATOM 304 CG LYS A 23 -0.698 -7.331 -12.575 1.00 0.00 C ATOM 305 CD LYS A 23 -0.734 -6.941 -14.043 1.00 0.00 C ATOM 306 CE LYS A 23 -0.773 -8.166 -14.944 1.00 0.00 C ATOM 307 NZ LYS A 23 0.594 -8.664 -15.263 1.00 0.00 N ATOM 0 H LYS A 23 -2.228 -7.331 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.725 -5.804 -12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.889 -8.592 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.547 -8.346 -12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.405 -6.469 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.059 -8.100 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.609 -6.319 -14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.143 -6.340 -14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.343 -8.957 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.295 -7.920 -15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.524 -9.499 -15.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.130 -7.918 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.083 -8.923 -14.383 1.00 0.00 H new ATOM 321 N ASN A 24 -5.052 -6.286 -12.702 1.00 0.00 N ATOM 322 CA ASN A 24 -6.446 -6.507 -13.069 1.00 0.00 C ATOM 323 C ASN A 24 -7.370 -6.244 -11.884 1.00 0.00 C ATOM 324 O ASN A 24 -8.288 -7.019 -11.615 1.00 0.00 O ATOM 325 CB ASN A 24 -6.641 -7.939 -13.574 1.00 0.00 C ATOM 326 CG ASN A 24 -5.625 -8.322 -14.633 1.00 0.00 C ATOM 327 OD1 ASN A 24 -4.480 -8.834 -14.196 1.00 0.00 O flip ATOM 328 ND2 ASN A 24 -5.867 -8.160 -15.829 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.622 -5.475 -13.147 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.700 -5.809 -13.867 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.566 -8.631 -12.735 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.646 -8.043 -13.984 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.761 -7.763 -16.119 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.174 -8.423 -16.530 1.00 0.00 H new ATOM 335 N TYR A 25 -7.121 -5.146 -11.180 1.00 0.00 N ATOM 336 CA TYR A 25 -7.928 -4.780 -10.022 1.00 0.00 C ATOM 337 C TYR A 25 -8.913 -3.669 -10.374 1.00 0.00 C ATOM 338 O TYR A 25 -8.892 -3.133 -11.482 1.00 0.00 O ATOM 339 CB TYR A 25 -7.030 -4.334 -8.867 1.00 0.00 C ATOM 340 CG TYR A 25 -6.612 -5.464 -7.954 1.00 0.00 C ATOM 341 CD1 TYR A 25 -5.827 -6.510 -8.424 1.00 0.00 C ATOM 342 CD2 TYR A 25 -7.001 -5.486 -6.621 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.443 -7.545 -7.594 1.00 0.00 C ATOM 344 CE2 TYR A 25 -6.621 -6.516 -5.782 1.00 0.00 C ATOM 345 CZ TYR A 25 -5.843 -7.543 -6.274 1.00 0.00 C ATOM 346 OH TYR A 25 -5.461 -8.572 -5.442 1.00 0.00 O ATOM 0 H TYR A 25 -6.366 -4.493 -11.391 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.494 -5.659 -9.714 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.138 -3.858 -9.274 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.554 -3.579 -8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.512 -6.514 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.611 -4.684 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.834 -8.351 -7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.931 -6.517 -4.748 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.838 -9.161 -5.916 1.00 0.00 H new ATOM 356 N ARG A 26 -9.774 -3.328 -9.421 1.00 0.00 N ATOM 357 CA ARG A 26 -10.768 -2.281 -9.629 1.00 0.00 C ATOM 358 C ARG A 26 -10.123 -0.900 -9.570 1.00 0.00 C ATOM 359 O ARG A 26 -10.025 -0.294 -8.504 1.00 0.00 O ATOM 360 CB ARG A 26 -11.875 -2.384 -8.579 1.00 0.00 C ATOM 361 CG ARG A 26 -13.189 -1.757 -9.016 1.00 0.00 C ATOM 362 CD ARG A 26 -14.055 -2.750 -9.775 1.00 0.00 C ATOM 363 NE ARG A 26 -13.753 -2.760 -11.203 1.00 0.00 N ATOM 364 CZ ARG A 26 -14.220 -3.674 -12.047 1.00 0.00 C ATOM 365 NH1 ARG A 26 -15.008 -4.645 -11.607 1.00 0.00 N ATOM 366 NH2 ARG A 26 -13.900 -3.616 -13.333 1.00 0.00 N ATOM 0 H ARG A 26 -9.804 -3.761 -8.498 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.202 -2.418 -10.619 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.044 -3.435 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.539 -1.902 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.730 -1.395 -8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.988 -0.891 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.905 -3.749 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.106 -2.500 -9.629 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.150 -2.025 -11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.257 -4.692 -10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.365 -5.346 -12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.295 -2.869 -13.675 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.259 -4.318 -13.980 1.00 0.00 H new ATOM 380 N GLY A 27 -9.682 -0.408 -10.724 1.00 0.00 N ATOM 381 CA GLY A 27 -9.051 0.898 -10.781 1.00 0.00 C ATOM 382 C GLY A 27 -7.837 0.995 -9.879 1.00 0.00 C ATOM 383 O GLY A 27 -7.845 1.732 -8.892 1.00 0.00 O ATOM 0 H GLY A 27 -9.750 -0.890 -11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.754 1.110 -11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.775 1.661 -10.494 1.00 0.00 H new ATOM 387 N VAL A 28 -6.790 0.249 -10.215 1.00 0.00 N ATOM 388 CA VAL A 28 -5.563 0.253 -9.428 1.00 0.00 C ATOM 389 C VAL A 28 -4.351 0.560 -10.301 1.00 0.00 C ATOM 390 O VAL A 28 -3.652 -0.347 -10.752 1.00 0.00 O ATOM 391 CB VAL A 28 -5.345 -1.097 -8.721 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.026 -1.096 -7.963 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.506 -1.404 -7.788 1.00 0.00 C ATOM 0 H VAL A 28 -6.767 -0.367 -11.028 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.672 1.034 -8.676 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.301 -1.880 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.889 -2.058 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.206 -0.926 -8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.037 -0.303 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.335 -2.362 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.585 -0.619 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.431 -1.451 -8.362 1.00 0.00 H new ATOM 403 N LYS A 29 -4.108 1.845 -10.535 1.00 0.00 N ATOM 404 CA LYS A 29 -2.979 2.273 -11.353 1.00 0.00 C ATOM 405 C LYS A 29 -1.960 3.039 -10.515 1.00 0.00 C ATOM 406 O LYS A 29 -2.022 4.264 -10.413 1.00 0.00 O ATOM 407 CB LYS A 29 -3.464 3.149 -12.510 1.00 0.00 C ATOM 408 CG LYS A 29 -2.378 3.481 -13.518 1.00 0.00 C ATOM 409 CD LYS A 29 -2.801 4.612 -14.442 1.00 0.00 C ATOM 410 CE LYS A 29 -3.506 4.084 -15.682 1.00 0.00 C ATOM 411 NZ LYS A 29 -4.969 3.918 -15.460 1.00 0.00 N ATOM 0 H LYS A 29 -4.678 2.608 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.497 1.383 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.280 2.640 -13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.870 4.077 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.466 3.762 -12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.146 2.595 -14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.464 5.292 -13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.925 5.189 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.340 4.769 -16.513 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.071 3.126 -15.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.267 2.980 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.178 4.004 -14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.485 4.654 -15.983 1.00 0.00 H new ATOM 425 N ILE A 30 -1.023 2.309 -9.918 1.00 0.00 N ATOM 426 CA ILE A 30 0.010 2.921 -9.092 1.00 0.00 C ATOM 427 C ILE A 30 0.987 3.726 -9.941 1.00 0.00 C ATOM 428 O ILE A 30 2.084 3.262 -10.255 1.00 0.00 O ATOM 429 CB ILE A 30 0.793 1.861 -8.294 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.164 1.022 -7.444 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.843 2.528 -7.418 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.666 -0.219 -8.147 1.00 0.00 C ATOM 0 H ILE A 30 -0.958 1.294 -9.991 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.497 3.588 -8.395 1.00 0.00 H new ATOM 0 HB ILE A 30 1.300 1.199 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.342 0.729 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.017 1.637 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.388 1.767 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.538 3.086 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.356 3.209 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.339 -0.765 -7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.200 0.067 -9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.179 -0.855 -8.410 1.00 0.00 H new ATOM 444 N THR A 31 0.584 4.938 -10.309 1.00 0.00 N ATOM 445 CA THR A 31 1.424 5.810 -11.121 1.00 0.00 C ATOM 446 C THR A 31 2.437 6.555 -10.260 1.00 0.00 C ATOM 447 O THR A 31 3.552 6.833 -10.698 1.00 0.00 O ATOM 448 CB THR A 31 0.580 6.833 -11.904 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.379 7.445 -11.034 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.138 6.166 -13.068 1.00 0.00 C ATOM 0 H THR A 31 -0.320 5.338 -10.057 1.00 0.00 H new ATOM 0 HA THR A 31 1.953 5.171 -11.828 1.00 0.00 H new ATOM 0 HB THR A 31 1.250 7.596 -12.300 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.911 8.095 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.727 6.909 -13.606 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.595 5.726 -13.744 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.797 5.385 -12.689 1.00 0.00 H new ATOM 458 N ASN A 32 2.040 6.876 -9.033 1.00 0.00 N ATOM 459 CA ASN A 32 2.915 7.590 -8.109 1.00 0.00 C ATOM 460 C ASN A 32 2.867 6.963 -6.720 1.00 0.00 C ATOM 461 O ASN A 32 2.215 5.940 -6.511 1.00 0.00 O ATOM 462 CB ASN A 32 2.513 9.064 -8.030 1.00 0.00 C ATOM 463 CG ASN A 32 2.189 9.649 -9.391 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.976 9.535 -10.331 1.00 0.00 O ATOM 465 ND2 ASN A 32 1.026 10.281 -9.503 1.00 0.00 N ATOM 0 H ASN A 32 1.119 6.653 -8.655 1.00 0.00 H new ATOM 0 HA ASN A 32 3.936 7.518 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.646 9.167 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.323 9.635 -7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.755 10.696 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.404 10.352 -8.697 1.00 0.00 H new ATOM 472 N PHE A 33 3.561 7.584 -5.772 1.00 0.00 N ATOM 473 CA PHE A 33 3.598 7.087 -4.401 1.00 0.00 C ATOM 474 C PHE A 33 3.118 8.154 -3.423 1.00 0.00 C ATOM 475 O PHE A 33 3.507 8.163 -2.254 1.00 0.00 O ATOM 476 CB PHE A 33 5.017 6.644 -4.035 1.00 0.00 C ATOM 477 CG PHE A 33 5.406 5.324 -4.636 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.993 4.135 -4.056 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.186 5.271 -5.780 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.350 2.919 -4.606 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.546 4.058 -6.335 1.00 0.00 C ATOM 482 CZ PHE A 33 6.127 2.880 -5.748 1.00 0.00 C ATOM 0 H PHE A 33 4.105 8.432 -5.928 1.00 0.00 H new ATOM 0 HA PHE A 33 2.928 6.230 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.723 7.406 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.100 6.579 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.385 4.159 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.517 6.189 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.022 2.000 -4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.154 4.031 -7.227 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.406 1.931 -6.181 1.00 0.00 H new ATOM 492 N THR A 34 2.270 9.056 -3.908 1.00 0.00 N ATOM 493 CA THR A 34 1.737 10.129 -3.078 1.00 0.00 C ATOM 494 C THR A 34 0.214 10.163 -3.135 1.00 0.00 C ATOM 495 O THR A 34 -0.459 10.089 -2.106 1.00 0.00 O ATOM 496 CB THR A 34 2.287 11.500 -3.513 1.00 0.00 C ATOM 497 OG1 THR A 34 2.566 11.494 -4.917 1.00 0.00 O ATOM 498 CG2 THR A 34 3.551 11.846 -2.741 1.00 0.00 C ATOM 0 H THR A 34 1.938 9.064 -4.872 1.00 0.00 H new ATOM 0 HA THR A 34 2.055 9.926 -2.055 1.00 0.00 H new ATOM 0 HB THR A 34 1.531 12.254 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.914 12.370 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.921 12.819 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.328 11.880 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.311 11.088 -2.929 1.00 0.00 H new ATOM 506 N THR A 35 -0.326 10.276 -4.345 1.00 0.00 N ATOM 507 CA THR A 35 -1.771 10.321 -4.536 1.00 0.00 C ATOM 508 C THR A 35 -2.342 8.922 -4.739 1.00 0.00 C ATOM 509 O THR A 35 -3.273 8.515 -4.046 1.00 0.00 O ATOM 510 CB THR A 35 -2.151 11.199 -5.742 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.500 10.718 -6.923 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.763 12.650 -5.499 1.00 0.00 C ATOM 0 H THR A 35 0.216 10.338 -5.207 1.00 0.00 H new ATOM 0 HA THR A 35 -2.196 10.756 -3.632 1.00 0.00 H new ATOM 0 HB THR A 35 -3.231 11.146 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.748 11.281 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.041 13.251 -6.365 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.283 13.023 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.687 12.717 -5.342 1.00 0.00 H new ATOM 520 N SER A 36 -1.777 8.191 -5.695 1.00 0.00 N ATOM 521 CA SER A 36 -2.233 6.838 -5.992 1.00 0.00 C ATOM 522 C SER A 36 -2.621 6.102 -4.713 1.00 0.00 C ATOM 523 O SER A 36 -3.526 5.268 -4.715 1.00 0.00 O ATOM 524 CB SER A 36 -1.142 6.060 -6.730 1.00 0.00 C ATOM 525 OG SER A 36 -1.247 6.239 -8.132 1.00 0.00 O ATOM 0 H SER A 36 -1.003 8.513 -6.277 1.00 0.00 H new ATOM 0 HA SER A 36 -3.113 6.910 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.161 6.392 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.221 5.000 -6.489 1.00 0.00 H new ATOM 0 HG SER A 36 -0.850 7.099 -8.383 1.00 0.00 H new ATOM 531 N TRP A 37 -1.930 6.418 -3.624 1.00 0.00 N ATOM 532 CA TRP A 37 -2.202 5.788 -2.337 1.00 0.00 C ATOM 533 C TRP A 37 -3.000 6.719 -1.432 1.00 0.00 C ATOM 534 O TRP A 37 -3.724 6.268 -0.545 1.00 0.00 O ATOM 535 CB TRP A 37 -0.892 5.391 -1.654 1.00 0.00 C ATOM 536 CG TRP A 37 0.055 4.666 -2.561 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.892 5.222 -3.485 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.260 3.250 -2.630 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.606 4.237 -4.126 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.237 3.019 -3.619 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.285 2.156 -1.953 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.677 1.739 -3.945 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.153 0.886 -2.278 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.126 0.686 -3.266 1.00 0.00 C ATOM 0 H TRP A 37 -1.178 7.106 -3.606 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.796 4.892 -2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.403 6.288 -1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.116 4.759 -0.794 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.980 6.280 -3.683 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.298 4.389 -4.860 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.035 2.300 -1.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.427 1.582 -4.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.262 0.033 -1.761 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.448 -0.319 -3.496 1.00 0.00 H new ATOM 555 N ARG A 38 -2.864 8.021 -1.663 1.00 0.00 N ATOM 556 CA ARG A 38 -3.573 9.016 -0.867 1.00 0.00 C ATOM 557 C ARG A 38 -4.946 8.499 -0.447 1.00 0.00 C ATOM 558 O ARG A 38 -5.318 8.576 0.723 1.00 0.00 O ATOM 559 CB ARG A 38 -3.725 10.318 -1.656 1.00 0.00 C ATOM 560 CG ARG A 38 -4.755 11.269 -1.069 1.00 0.00 C ATOM 561 CD ARG A 38 -4.504 12.703 -1.510 1.00 0.00 C ATOM 562 NE ARG A 38 -5.208 13.025 -2.749 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.477 13.413 -2.793 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.179 13.525 -1.673 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.048 13.689 -3.959 1.00 0.00 N ATOM 0 H ARG A 38 -2.270 8.411 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.987 9.210 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.760 10.822 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.005 10.080 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.754 10.961 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.727 11.211 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.824 13.386 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.434 12.857 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.697 12.948 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.744 13.313 -0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.154 13.823 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.512 13.603 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.023 13.987 -3.992 1.00 0.00 H new ATOM 579 N ASN A 39 -5.694 7.974 -1.412 1.00 0.00 N ATOM 580 CA ASN A 39 -7.027 7.445 -1.143 1.00 0.00 C ATOM 581 C ASN A 39 -6.951 6.198 -0.268 1.00 0.00 C ATOM 582 O ASN A 39 -7.586 6.125 0.784 1.00 0.00 O ATOM 583 CB ASN A 39 -7.743 7.119 -2.455 1.00 0.00 C ATOM 584 CG ASN A 39 -6.866 6.335 -3.412 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.658 6.217 -3.210 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.474 5.795 -4.463 1.00 0.00 N ATOM 0 H ASN A 39 -5.401 7.903 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.593 8.208 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.645 6.546 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.060 8.046 -2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.936 5.257 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.478 5.919 -4.590 1.00 0.00 H new ATOM 593 N GLY A 40 -6.168 5.218 -0.709 1.00 0.00 N ATOM 594 CA GLY A 40 -6.023 3.987 0.045 1.00 0.00 C ATOM 595 C GLY A 40 -6.565 2.783 -0.699 1.00 0.00 C ATOM 596 O GLY A 40 -7.116 1.864 -0.092 1.00 0.00 O ATOM 0 H GLY A 40 -5.631 5.255 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.969 3.826 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.543 4.085 0.998 1.00 0.00 H new ATOM 600 N LEU A 41 -6.410 2.787 -2.019 1.00 0.00 N ATOM 601 CA LEU A 41 -6.889 1.687 -2.848 1.00 0.00 C ATOM 602 C LEU A 41 -5.853 0.569 -2.923 1.00 0.00 C ATOM 603 O LEU A 41 -6.136 -0.577 -2.575 1.00 0.00 O ATOM 604 CB LEU A 41 -7.216 2.189 -4.256 1.00 0.00 C ATOM 605 CG LEU A 41 -8.525 2.965 -4.404 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.719 3.415 -5.844 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.703 2.117 -3.946 1.00 0.00 C ATOM 0 H LEU A 41 -5.957 3.539 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.794 1.288 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.399 2.827 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.247 1.331 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.473 3.851 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.656 3.966 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.891 4.060 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.750 2.543 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.626 2.686 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.758 1.213 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.570 1.845 -2.899 1.00 0.00 H new ATOM 619 N SER A 42 -4.652 0.912 -3.376 1.00 0.00 N ATOM 620 CA SER A 42 -3.574 -0.062 -3.497 1.00 0.00 C ATOM 621 C SER A 42 -3.292 -0.730 -2.155 1.00 0.00 C ATOM 622 O SER A 42 -3.063 -1.938 -2.085 1.00 0.00 O ATOM 623 CB SER A 42 -2.304 0.613 -4.021 1.00 0.00 C ATOM 624 OG SER A 42 -2.508 1.145 -5.319 1.00 0.00 O ATOM 0 H SER A 42 -4.401 1.857 -3.665 1.00 0.00 H new ATOM 0 HA SER A 42 -3.888 -0.828 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.005 1.410 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.488 -0.109 -4.045 1.00 0.00 H new ATOM 0 HG SER A 42 -2.205 2.077 -5.342 1.00 0.00 H new ATOM 630 N PHE A 43 -3.309 0.065 -1.091 1.00 0.00 N ATOM 631 CA PHE A 43 -3.054 -0.447 0.251 1.00 0.00 C ATOM 632 C PHE A 43 -4.003 -1.595 0.584 1.00 0.00 C ATOM 633 O PHE A 43 -3.579 -2.642 1.075 1.00 0.00 O ATOM 634 CB PHE A 43 -3.206 0.671 1.284 1.00 0.00 C ATOM 635 CG PHE A 43 -1.951 1.469 1.493 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.769 0.843 1.857 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.952 2.844 1.324 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.387 1.575 2.051 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.798 3.581 1.515 1.00 0.00 C ATOM 640 CZ PHE A 43 0.373 2.945 1.878 1.00 0.00 C ATOM 0 H PHE A 43 -3.497 1.067 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.031 -0.823 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.005 1.342 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.513 0.236 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.751 -0.229 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.865 3.346 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.301 1.076 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.812 4.653 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.276 3.518 2.026 1.00 0.00 H new ATOM 650 N CYS A 44 -5.287 -1.390 0.314 1.00 0.00 N ATOM 651 CA CYS A 44 -6.297 -2.407 0.586 1.00 0.00 C ATOM 652 C CYS A 44 -6.219 -3.538 -0.434 1.00 0.00 C ATOM 653 O CYS A 44 -6.377 -4.709 -0.091 1.00 0.00 O ATOM 654 CB CYS A 44 -7.694 -1.785 0.568 1.00 0.00 C ATOM 655 SG CYS A 44 -8.103 -0.846 2.059 1.00 0.00 S ATOM 0 H CYS A 44 -5.654 -0.529 -0.093 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.103 -2.820 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.776 -1.127 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.431 -2.577 0.437 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.370 0.227 2.111 1.00 0.00 H new ATOM 661 N ALA A 45 -5.974 -3.179 -1.690 1.00 0.00 N ATOM 662 CA ALA A 45 -5.874 -4.164 -2.760 1.00 0.00 C ATOM 663 C ALA A 45 -4.782 -5.186 -2.465 1.00 0.00 C ATOM 664 O ALA A 45 -5.025 -6.393 -2.491 1.00 0.00 O ATOM 665 CB ALA A 45 -5.608 -3.473 -4.090 1.00 0.00 C ATOM 0 H ALA A 45 -5.841 -2.214 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.824 -4.695 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.536 -4.220 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.425 -2.787 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.673 -2.916 -4.030 1.00 0.00 H new ATOM 671 N ILE A 46 -3.579 -4.696 -2.186 1.00 0.00 N ATOM 672 CA ILE A 46 -2.450 -5.568 -1.885 1.00 0.00 C ATOM 673 C ILE A 46 -2.814 -6.589 -0.812 1.00 0.00 C ATOM 674 O ILE A 46 -2.785 -7.797 -1.053 1.00 0.00 O ATOM 675 CB ILE A 46 -1.225 -4.762 -1.416 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.762 -3.807 -2.519 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.097 -5.699 -1.011 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.126 -2.690 -2.018 1.00 0.00 C ATOM 0 H ILE A 46 -3.361 -3.700 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.200 -6.089 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.510 -4.171 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.224 -4.375 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.637 -3.375 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.762 -5.114 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.432 -6.341 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.189 -6.314 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.416 -2.053 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.416 -2.098 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.019 -3.113 -1.558 1.00 0.00 H new ATOM 690 N LEU A 47 -3.160 -6.096 0.372 1.00 0.00 N ATOM 691 CA LEU A 47 -3.532 -6.965 1.483 1.00 0.00 C ATOM 692 C LEU A 47 -4.623 -7.947 1.065 1.00 0.00 C ATOM 693 O LEU A 47 -4.668 -9.081 1.542 1.00 0.00 O ATOM 694 CB LEU A 47 -4.011 -6.130 2.671 1.00 0.00 C ATOM 695 CG LEU A 47 -4.273 -6.896 3.968 1.00 0.00 C ATOM 696 CD1 LEU A 47 -2.969 -7.405 4.561 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.008 -6.016 4.969 1.00 0.00 C ATOM 0 H LEU A 47 -3.191 -5.099 0.587 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.650 -7.534 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.266 -5.360 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.929 -5.618 2.383 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.903 -7.755 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.176 -7.947 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.482 -8.072 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.313 -6.561 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.186 -6.578 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.404 -5.137 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.962 -5.702 4.545 1.00 0.00 H new ATOM 709 N HIS A 48 -5.499 -7.503 0.169 1.00 0.00 N ATOM 710 CA HIS A 48 -6.588 -8.343 -0.316 1.00 0.00 C ATOM 711 C HIS A 48 -6.067 -9.407 -1.277 1.00 0.00 C ATOM 712 O HIS A 48 -6.561 -10.535 -1.299 1.00 0.00 O ATOM 713 CB HIS A 48 -7.650 -7.489 -1.010 1.00 0.00 C ATOM 714 CG HIS A 48 -9.004 -8.128 -1.044 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.025 -8.086 -0.157 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.434 -8.923 -2.085 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -11.044 -8.848 -0.673 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.663 -9.342 -1.838 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.476 -6.567 -0.236 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.038 -8.842 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.723 -6.529 -0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.329 -7.283 -2.031 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.857 -9.166 -2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.002 -9.016 -0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.222 -9.944 -2.443 1.00 0.00 H new ATOM 727 N HIS A 49 -5.066 -9.041 -2.072 1.00 0.00 N ATOM 728 CA HIS A 49 -4.478 -9.964 -3.036 1.00 0.00 C ATOM 729 C HIS A 49 -4.087 -11.276 -2.362 1.00 0.00 C ATOM 730 O HIS A 49 -4.497 -12.354 -2.794 1.00 0.00 O ATOM 731 CB HIS A 49 -3.253 -9.332 -3.697 1.00 0.00 C ATOM 732 CG HIS A 49 -2.826 -10.026 -4.954 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.700 -10.343 -5.972 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.609 -10.462 -5.355 1.00 0.00 C ATOM 735 CE1 HIS A 49 -3.039 -10.946 -6.945 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.768 -11.030 -6.595 1.00 0.00 N ATOM 0 H HIS A 49 -4.645 -8.112 -2.067 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.225 -10.177 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.471 -8.288 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.424 -9.338 -2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.685 -10.379 -4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.465 -11.308 -7.869 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.025 -11.449 -7.155 1.00 0.00 H new ATOM 745 N PHE A 50 -3.291 -11.178 -1.303 1.00 0.00 N ATOM 746 CA PHE A 50 -2.843 -12.357 -0.571 1.00 0.00 C ATOM 747 C PHE A 50 -4.016 -13.049 0.116 1.00 0.00 C ATOM 748 O PHE A 50 -4.147 -14.272 0.064 1.00 0.00 O ATOM 749 CB PHE A 50 -1.786 -11.969 0.466 1.00 0.00 C ATOM 750 CG PHE A 50 -0.570 -11.321 -0.131 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.582 -9.978 -0.471 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.584 -12.054 -0.352 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.535 -9.379 -1.022 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.705 -11.460 -0.901 1.00 0.00 C ATOM 755 CZ PHE A 50 1.681 -10.120 -1.236 1.00 0.00 C ATOM 0 H PHE A 50 -2.943 -10.294 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.402 -13.052 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.232 -11.288 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.481 -12.861 1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.474 -9.393 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.608 -13.102 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.512 -8.332 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.599 -12.043 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.556 -9.653 -1.664 1.00 0.00 H new ATOM 765 N ARG A 51 -4.867 -12.257 0.761 1.00 0.00 N ATOM 766 CA ARG A 51 -6.029 -12.792 1.460 1.00 0.00 C ATOM 767 C ARG A 51 -7.233 -11.869 1.300 1.00 0.00 C ATOM 768 O ARG A 51 -7.320 -10.808 1.918 1.00 0.00 O ATOM 769 CB ARG A 51 -5.714 -12.983 2.945 1.00 0.00 C ATOM 770 CG ARG A 51 -6.744 -13.822 3.683 1.00 0.00 C ATOM 771 CD ARG A 51 -6.645 -15.290 3.300 1.00 0.00 C ATOM 772 NE ARG A 51 -7.629 -16.107 4.006 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.819 -17.400 3.765 1.00 0.00 C ATOM 774 NH1 ARG A 51 -7.096 -18.019 2.843 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.733 -18.076 4.449 1.00 0.00 N ATOM 0 H ARG A 51 -4.773 -11.243 0.814 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.273 -13.759 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.736 -13.455 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.645 -12.005 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.599 -13.715 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.745 -13.453 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.791 -15.395 2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.643 -15.656 3.523 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.201 -15.661 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.391 -17.503 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.244 -19.012 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.290 -17.603 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.878 -19.068 4.263 1.00 0.00 H new ATOM 789 N PRO A 52 -8.186 -12.281 0.450 1.00 0.00 N ATOM 790 CA PRO A 52 -9.402 -11.505 0.188 1.00 0.00 C ATOM 791 C PRO A 52 -10.344 -11.483 1.387 1.00 0.00 C ATOM 792 O PRO A 52 -11.357 -10.783 1.379 1.00 0.00 O ATOM 793 CB PRO A 52 -10.048 -12.245 -0.986 1.00 0.00 C ATOM 794 CG PRO A 52 -9.541 -13.642 -0.880 1.00 0.00 C ATOM 795 CD PRO A 52 -8.149 -13.535 -0.321 1.00 0.00 C ATOM 0 HA PRO A 52 -9.181 -10.458 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.136 -12.213 -0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.770 -11.794 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.178 -14.240 -0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.534 -14.130 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.903 -14.388 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.400 -13.498 -1.112 1.00 0.00 H new ATOM 803 N ASP A 53 -10.004 -12.252 2.415 1.00 0.00 N ATOM 804 CA ASP A 53 -10.820 -12.319 3.622 1.00 0.00 C ATOM 805 C ASP A 53 -10.208 -11.478 4.738 1.00 0.00 C ATOM 806 O ASP A 53 -10.313 -11.820 5.917 1.00 0.00 O ATOM 807 CB ASP A 53 -10.968 -13.770 4.083 1.00 0.00 C ATOM 808 CG ASP A 53 -11.758 -14.612 3.100 1.00 0.00 C ATOM 809 OD1 ASP A 53 -11.786 -14.257 1.904 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.350 -15.625 3.528 1.00 0.00 O ATOM 0 H ASP A 53 -9.169 -12.838 2.437 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.806 -11.918 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.979 -14.208 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.462 -13.791 5.054 1.00 0.00 H new ATOM 815 N LEU A 54 -9.569 -10.377 4.359 1.00 0.00 N ATOM 816 CA LEU A 54 -8.939 -9.486 5.328 1.00 0.00 C ATOM 817 C LEU A 54 -9.533 -8.084 5.245 1.00 0.00 C ATOM 818 O LEU A 54 -9.706 -7.412 6.262 1.00 0.00 O ATOM 819 CB LEU A 54 -7.429 -9.428 5.090 1.00 0.00 C ATOM 820 CG LEU A 54 -6.598 -10.512 5.777 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.133 -10.389 5.388 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.760 -10.430 7.288 1.00 0.00 C ATOM 0 H LEU A 54 -9.473 -10.079 3.388 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.128 -9.882 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.248 -9.486 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.066 -8.455 5.422 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.959 -11.485 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.557 -11.169 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.033 -10.498 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.757 -9.411 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.162 -11.209 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.426 -9.453 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.809 -10.569 7.550 1.00 0.00 H new ATOM 834 N ILE A 55 -9.846 -7.650 4.029 1.00 0.00 N ATOM 835 CA ILE A 55 -10.424 -6.330 3.814 1.00 0.00 C ATOM 836 C ILE A 55 -11.738 -6.423 3.046 1.00 0.00 C ATOM 837 O ILE A 55 -12.095 -7.484 2.533 1.00 0.00 O ATOM 838 CB ILE A 55 -9.457 -5.410 3.046 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.007 -5.819 3.314 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.684 -3.957 3.437 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.511 -6.919 2.401 1.00 0.00 C ATOM 0 H ILE A 55 -9.709 -8.194 3.177 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.612 -5.904 4.800 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.652 -5.513 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.365 -4.946 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.916 -6.148 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.993 -3.320 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.709 -3.672 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.513 -3.837 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.476 -7.158 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.129 -7.807 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.569 -6.586 1.365 1.00 0.00 H new ATOM 853 N ASP A 56 -12.453 -5.306 2.971 1.00 0.00 N ATOM 854 CA ASP A 56 -13.727 -5.260 2.262 1.00 0.00 C ATOM 855 C ASP A 56 -13.563 -4.613 0.891 1.00 0.00 C ATOM 856 O ASP A 56 -14.504 -4.028 0.353 1.00 0.00 O ATOM 857 CB ASP A 56 -14.763 -4.491 3.082 1.00 0.00 C ATOM 858 CG ASP A 56 -15.411 -5.350 4.150 1.00 0.00 C ATOM 859 OD1 ASP A 56 -14.741 -5.644 5.162 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.588 -5.730 3.973 1.00 0.00 O ATOM 0 H ASP A 56 -12.172 -4.420 3.392 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.074 -6.284 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.285 -3.632 3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.533 -4.102 2.416 1.00 0.00 H new ATOM 865 N TYR A 57 -12.363 -4.721 0.331 1.00 0.00 N ATOM 866 CA TYR A 57 -12.075 -4.144 -0.977 1.00 0.00 C ATOM 867 C TYR A 57 -13.113 -4.581 -2.006 1.00 0.00 C ATOM 868 O TYR A 57 -13.376 -3.874 -2.979 1.00 0.00 O ATOM 869 CB TYR A 57 -10.676 -4.553 -1.441 1.00 0.00 C ATOM 870 CG TYR A 57 -10.188 -3.780 -2.645 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.732 -4.001 -3.905 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.183 -2.829 -2.524 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.289 -3.298 -5.008 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.734 -2.120 -3.621 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.289 -2.358 -4.861 1.00 0.00 C ATOM 876 OH TYR A 57 -8.846 -1.655 -5.957 1.00 0.00 O ATOM 0 H TYR A 57 -11.574 -5.203 0.762 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.117 -3.059 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.974 -4.411 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.678 -5.617 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.515 -4.735 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.745 -2.641 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.722 -3.483 -5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.952 -1.383 -3.508 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.606 -1.443 -6.539 1.00 0.00 H new ATOM 886 N LYS A 58 -13.701 -5.751 -1.783 1.00 0.00 N ATOM 887 CA LYS A 58 -14.712 -6.285 -2.688 1.00 0.00 C ATOM 888 C LYS A 58 -15.868 -5.302 -2.853 1.00 0.00 C ATOM 889 O LYS A 58 -16.568 -5.317 -3.865 1.00 0.00 O ATOM 890 CB LYS A 58 -15.238 -7.624 -2.167 1.00 0.00 C ATOM 891 CG LYS A 58 -15.964 -7.516 -0.837 1.00 0.00 C ATOM 892 CD LYS A 58 -16.605 -8.836 -0.444 1.00 0.00 C ATOM 893 CE LYS A 58 -17.922 -9.056 -1.172 1.00 0.00 C ATOM 894 NZ LYS A 58 -19.010 -8.200 -0.621 1.00 0.00 N ATOM 0 H LYS A 58 -13.495 -6.348 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.247 -6.439 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.914 -8.052 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.403 -8.316 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.262 -7.206 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.730 -6.743 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.922 -9.655 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.776 -8.852 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.791 -8.840 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.210 -10.104 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.928 -8.529 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.006 -8.260 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.856 -7.213 -0.912 1.00 0.00 H new ATOM 908 N SER A 59 -16.060 -4.449 -1.852 1.00 0.00 N ATOM 909 CA SER A 59 -17.132 -3.461 -1.885 1.00 0.00 C ATOM 910 C SER A 59 -16.613 -2.083 -1.488 1.00 0.00 C ATOM 911 O SER A 59 -17.325 -1.294 -0.864 1.00 0.00 O ATOM 912 CB SER A 59 -18.269 -3.879 -0.950 1.00 0.00 C ATOM 913 OG SER A 59 -19.131 -4.811 -1.580 1.00 0.00 O ATOM 0 H SER A 59 -15.487 -4.422 -1.008 1.00 0.00 H new ATOM 0 HA SER A 59 -17.511 -3.407 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.855 -4.318 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.838 -2.999 -0.648 1.00 0.00 H new ATOM 0 HG SER A 59 -19.848 -5.064 -0.961 1.00 0.00 H new ATOM 919 N LEU A 60 -15.368 -1.799 -1.854 1.00 0.00 N ATOM 920 CA LEU A 60 -14.751 -0.515 -1.537 1.00 0.00 C ATOM 921 C LEU A 60 -14.837 0.438 -2.724 1.00 0.00 C ATOM 922 O LEU A 60 -15.363 0.086 -3.779 1.00 0.00 O ATOM 923 CB LEU A 60 -13.289 -0.715 -1.133 1.00 0.00 C ATOM 924 CG LEU A 60 -13.046 -1.154 0.311 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.573 -1.022 0.668 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.904 -0.339 1.268 1.00 0.00 C ATOM 0 H LEU A 60 -14.766 -2.440 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.295 -0.075 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.848 -1.459 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.755 0.220 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.329 -2.202 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.419 -1.339 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.980 -1.650 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.264 0.017 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.718 -0.665 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.653 0.717 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.957 -0.485 1.027 1.00 0.00 H new ATOM 938 N ASN A 61 -14.313 1.646 -2.545 1.00 0.00 N ATOM 939 CA ASN A 61 -14.329 2.651 -3.603 1.00 0.00 C ATOM 940 C ASN A 61 -13.362 3.788 -3.287 1.00 0.00 C ATOM 941 O ASN A 61 -12.959 3.994 -2.142 1.00 0.00 O ATOM 942 CB ASN A 61 -15.743 3.204 -3.788 1.00 0.00 C ATOM 943 CG ASN A 61 -16.574 2.364 -4.738 1.00 0.00 C ATOM 944 OD1 ASN A 61 -16.005 2.041 -5.894 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.713 2.008 -4.435 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.872 1.953 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.010 2.174 -4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.241 3.252 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.684 4.224 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.110 2.280 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.260 1.441 -5.083 1.00 0.00 H new ATOM 952 N PRO A 62 -12.981 4.546 -4.326 1.00 0.00 N ATOM 953 CA PRO A 62 -12.059 5.676 -4.185 1.00 0.00 C ATOM 954 C PRO A 62 -12.686 6.847 -3.436 1.00 0.00 C ATOM 955 O PRO A 62 -12.076 7.907 -3.301 1.00 0.00 O ATOM 956 CB PRO A 62 -11.755 6.069 -5.634 1.00 0.00 C ATOM 957 CG PRO A 62 -12.940 5.604 -6.408 1.00 0.00 C ATOM 958 CD PRO A 62 -13.422 4.358 -5.719 1.00 0.00 C ATOM 0 HA PRO A 62 -11.175 5.410 -3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.616 7.146 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.839 5.596 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.719 6.367 -6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.673 5.398 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.505 4.254 -5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.988 3.461 -6.160 1.00 0.00 H new ATOM 966 N GLN A 63 -13.907 6.646 -2.950 1.00 0.00 N ATOM 967 CA GLN A 63 -14.616 7.686 -2.214 1.00 0.00 C ATOM 968 C GLN A 63 -14.134 7.755 -0.769 1.00 0.00 C ATOM 969 O GLN A 63 -14.284 8.779 -0.102 1.00 0.00 O ATOM 970 CB GLN A 63 -16.123 7.428 -2.250 1.00 0.00 C ATOM 971 CG GLN A 63 -16.507 6.011 -1.857 1.00 0.00 C ATOM 972 CD GLN A 63 -15.983 5.622 -0.489 1.00 0.00 C ATOM 973 OE1 GLN A 63 -15.954 6.438 0.433 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.564 4.370 -0.349 1.00 0.00 N ATOM 0 H GLN A 63 -14.425 5.773 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.407 8.642 -2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.619 8.129 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.494 7.631 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.593 5.917 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.121 5.314 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.606 3.727 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.200 4.051 0.549 1.00 0.00 H new ATOM 983 N ASP A 64 -13.554 6.660 -0.291 1.00 0.00 N ATOM 984 CA ASP A 64 -13.049 6.596 1.076 1.00 0.00 C ATOM 985 C ASP A 64 -11.537 6.795 1.106 1.00 0.00 C ATOM 986 O ASP A 64 -10.783 5.976 0.580 1.00 0.00 O ATOM 987 CB ASP A 64 -13.413 5.255 1.714 1.00 0.00 C ATOM 988 CG ASP A 64 -14.777 5.278 2.374 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.238 6.378 2.746 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.385 4.197 2.518 1.00 0.00 O ATOM 0 H ASP A 64 -13.422 5.804 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.514 7.399 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.395 4.477 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.658 4.992 2.455 1.00 0.00 H new ATOM 995 N ILE A 65 -11.102 7.888 1.724 1.00 0.00 N ATOM 996 CA ILE A 65 -9.680 8.194 1.822 1.00 0.00 C ATOM 997 C ILE A 65 -9.126 7.798 3.187 1.00 0.00 C ATOM 998 O ILE A 65 -8.073 7.167 3.283 1.00 0.00 O ATOM 999 CB ILE A 65 -9.409 9.691 1.585 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.978 10.127 0.233 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.916 9.976 1.654 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.750 11.590 -0.075 1.00 0.00 C ATOM 0 H ILE A 65 -11.713 8.576 2.164 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.178 7.615 1.047 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.905 10.264 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.526 9.524 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.049 9.923 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.740 11.038 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.538 9.698 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.399 9.396 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.179 11.828 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.226 12.202 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.680 11.796 -0.090 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.843 8.172 4.241 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.426 7.855 5.602 1.00 0.00 C ATOM 1016 C LYS A 66 -9.696 6.389 5.926 1.00 0.00 C ATOM 1017 O LYS A 66 -8.833 5.694 6.462 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.156 8.752 6.604 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.521 8.767 7.983 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.900 10.018 8.759 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.337 9.953 9.252 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.505 8.953 10.343 1.00 0.00 N ATOM 0 H LYS A 66 -10.716 8.695 4.179 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.354 8.035 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.183 9.770 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.189 8.417 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.836 7.884 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.437 8.713 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.228 10.138 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.771 10.895 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.643 10.936 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.995 9.698 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.415 9.111 10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.487 7.994 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.730 9.055 11.029 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.897 5.926 5.595 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.278 4.542 5.851 1.00 0.00 C ATOM 1038 C GLU A 67 -10.380 3.579 5.080 1.00 0.00 C ATOM 1039 O GLU A 67 -9.610 2.823 5.672 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.741 4.313 5.463 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.234 2.905 5.754 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.698 2.717 5.406 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.001 2.490 4.217 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.540 2.796 6.325 1.00 0.00 O ATOM 0 H GLU A 67 -11.622 6.488 5.150 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.157 4.350 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.367 5.026 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.863 4.519 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.635 2.190 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.084 2.682 6.810 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.485 3.612 3.756 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.684 2.741 2.903 1.00 0.00 C ATOM 1053 C ASN A 68 -8.306 2.502 3.513 1.00 0.00 C ATOM 1054 O ASN A 68 -7.928 1.366 3.791 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.538 3.352 1.508 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.697 2.996 0.597 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.667 2.369 1.024 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.602 3.396 -0.665 1.00 0.00 N ATOM 0 H ASN A 68 -11.117 4.232 3.250 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.197 1.783 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.467 4.436 1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.607 3.007 1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.351 3.186 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.780 3.913 -0.975 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.560 3.583 3.717 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.223 3.492 4.293 1.00 0.00 C ATOM 1067 C ASN A 69 -6.268 2.838 5.671 1.00 0.00 C ATOM 1068 O ASN A 69 -5.604 1.831 5.914 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.594 4.883 4.397 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.813 5.258 3.152 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.658 4.866 2.988 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.443 6.023 2.268 1.00 0.00 N ATOM 0 H ASN A 69 -7.859 4.532 3.492 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.613 2.873 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.377 5.621 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.932 4.916 5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.969 6.309 1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.401 6.325 2.446 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.057 3.417 6.569 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.193 2.891 7.922 1.00 0.00 C ATOM 1081 C LYS A 70 -7.331 1.372 7.904 1.00 0.00 C ATOM 1082 O LYS A 70 -6.653 0.668 8.653 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.405 3.517 8.616 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.733 2.882 9.956 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.499 3.839 10.854 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.988 3.824 10.543 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.695 2.731 11.266 1.00 0.00 N ATOM 0 H LYS A 70 -7.613 4.252 6.384 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.292 3.149 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.220 4.581 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.272 3.432 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.323 1.979 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.811 2.577 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.341 3.566 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.110 4.849 10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.426 4.784 10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.134 3.703 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.707 2.755 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.295 1.813 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.578 2.861 12.291 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.212 0.873 7.044 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.438 -0.562 6.926 1.00 0.00 C ATOM 1103 C LYS A 71 -7.117 -1.310 6.776 1.00 0.00 C ATOM 1104 O LYS A 71 -6.837 -2.249 7.521 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.343 -0.860 5.728 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.688 -0.157 5.793 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.779 -0.978 5.127 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.504 -1.860 6.132 1.00 0.00 C ATOM 1109 NZ LYS A 71 -11.876 -3.206 6.244 1.00 0.00 N ATOM 0 H LYS A 71 -8.782 1.442 6.418 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.928 -0.903 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.831 -0.562 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.507 -1.936 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.954 0.026 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.615 0.816 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.494 -0.312 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.342 -1.599 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.501 -1.376 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.547 -1.969 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.506 -3.840 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.716 -3.595 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.967 -3.124 6.742 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.309 -0.887 5.810 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.016 -1.515 5.566 1.00 0.00 C ATOM 1125 C ALA A 72 -4.165 -1.529 6.831 1.00 0.00 C ATOM 1126 O ALA A 72 -3.925 -2.584 7.418 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.284 -0.797 4.442 1.00 0.00 C ATOM 0 H ALA A 72 -6.527 -0.112 5.183 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.192 -2.548 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.320 -1.277 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.880 -0.845 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.126 0.246 4.718 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.711 -0.351 7.245 1.00 0.00 N ATOM 1134 CA TYR A 73 -2.883 -0.228 8.439 1.00 0.00 C ATOM 1135 C TYR A 73 -3.305 -1.239 9.501 1.00 0.00 C ATOM 1136 O TYR A 73 -2.466 -1.824 10.185 1.00 0.00 O ATOM 1137 CB TYR A 73 -2.973 1.190 9.004 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.688 2.268 7.983 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.614 2.156 7.108 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.490 3.399 7.894 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.349 3.139 6.173 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.233 4.385 6.962 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.162 4.251 6.104 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.902 5.232 5.175 1.00 0.00 O ATOM 0 H TYR A 73 -3.902 0.532 6.772 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.851 -0.434 8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.970 1.346 9.415 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.269 1.288 9.830 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.976 1.286 7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.329 3.509 8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.510 3.037 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.868 5.257 6.905 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.511 5.132 4.414 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.612 -1.438 9.632 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.148 -2.378 10.609 1.00 0.00 C ATOM 1156 C ASP A 74 -4.777 -3.812 10.243 1.00 0.00 C ATOM 1157 O ASP A 74 -4.327 -4.583 11.089 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.668 -2.240 10.702 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.213 -2.709 12.036 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -6.873 -3.837 12.452 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -7.977 -1.949 12.666 1.00 0.00 O ATOM 0 H ASP A 74 -5.320 -0.961 9.074 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.710 -2.144 11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.945 -1.197 10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.132 -2.816 9.901 1.00 0.00 H new ATOM 1166 N GLY A 75 -4.972 -4.164 8.975 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.654 -5.504 8.520 1.00 0.00 C ATOM 1168 C GLY A 75 -3.161 -5.768 8.489 1.00 0.00 C ATOM 1169 O GLY A 75 -2.670 -6.675 9.160 1.00 0.00 O ATOM 0 H GLY A 75 -5.345 -3.544 8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.135 -6.230 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.067 -5.653 7.522 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.438 -4.973 7.708 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.993 -5.126 7.590 1.00 0.00 C ATOM 1175 C PHE A 76 -0.339 -5.194 8.967 1.00 0.00 C ATOM 1176 O PHE A 76 0.504 -6.053 9.224 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.399 -3.966 6.788 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.705 -4.035 5.319 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.381 -5.163 4.582 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.315 -2.971 4.674 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.661 -5.230 3.230 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.598 -3.032 3.323 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.269 -4.163 2.600 1.00 0.00 C ATOM 0 H PHE A 76 -2.829 -4.216 7.147 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.794 -6.061 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.780 -3.026 7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.682 -3.955 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.096 -6.000 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.572 -2.084 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.404 -6.116 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.076 -2.197 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.487 -4.212 1.543 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.733 -4.281 9.848 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.188 -4.237 11.199 1.00 0.00 C ATOM 1195 C ALA A 77 -0.651 -5.438 12.018 1.00 0.00 C ATOM 1196 O ALA A 77 0.010 -5.842 12.974 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.587 -2.941 11.888 1.00 0.00 C ATOM 0 H ALA A 77 -1.428 -3.561 9.650 1.00 0.00 H new ATOM 0 HA ALA A 77 0.899 -4.277 11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.173 -2.922 12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.201 -2.094 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.674 -2.877 11.941 1.00 0.00 H new ATOM 1203 N SER A 78 -1.792 -6.003 11.636 1.00 0.00 N ATOM 1204 CA SER A 78 -2.347 -7.155 12.338 1.00 0.00 C ATOM 1205 C SER A 78 -1.330 -8.290 12.406 1.00 0.00 C ATOM 1206 O SER A 78 -1.107 -8.875 13.467 1.00 0.00 O ATOM 1207 CB SER A 78 -3.621 -7.638 11.642 1.00 0.00 C ATOM 1208 OG SER A 78 -4.445 -8.367 12.536 1.00 0.00 O ATOM 0 H SER A 78 -2.350 -5.682 10.845 1.00 0.00 H new ATOM 0 HA SER A 78 -2.592 -6.847 13.355 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.172 -6.783 11.250 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.358 -8.266 10.790 1.00 0.00 H new ATOM 0 HG SER A 78 -5.253 -8.663 12.068 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.716 -8.596 11.268 1.00 0.00 N ATOM 1215 CA ILE A 79 0.277 -9.660 11.198 1.00 0.00 C ATOM 1216 C ILE A 79 1.556 -9.267 11.930 1.00 0.00 C ATOM 1217 O ILE A 79 2.199 -10.098 12.569 1.00 0.00 O ATOM 1218 CB ILE A 79 0.622 -10.014 9.740 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.944 -8.746 8.947 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.528 -10.772 9.093 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.505 -9.021 7.569 1.00 0.00 C ATOM 0 H ILE A 79 -0.889 -8.122 10.382 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.162 -10.533 11.681 1.00 0.00 H new ATOM 0 HB ILE A 79 1.503 -10.656 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.038 -8.149 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.661 -8.148 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.269 -11.015 8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.715 -11.692 9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.425 -10.152 9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.710 -8.077 7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.429 -9.592 7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.781 -9.593 6.989 1.00 0.00 H new ATOM 1233 N GLY A 80 1.919 -7.991 11.832 1.00 0.00 N ATOM 1234 CA GLY A 80 3.119 -7.509 12.491 1.00 0.00 C ATOM 1235 C GLY A 80 3.853 -6.468 11.669 1.00 0.00 C ATOM 1236 O GLY A 80 5.080 -6.385 11.713 1.00 0.00 O ATOM 0 H GLY A 80 1.404 -7.283 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.852 -7.082 13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.785 -8.349 12.686 1.00 0.00 H new ATOM 1240 N ILE A 81 3.100 -5.673 10.916 1.00 0.00 N ATOM 1241 CA ILE A 81 3.687 -4.633 10.080 1.00 0.00 C ATOM 1242 C ILE A 81 3.563 -3.263 10.738 1.00 0.00 C ATOM 1243 O ILE A 81 2.533 -2.599 10.622 1.00 0.00 O ATOM 1244 CB ILE A 81 3.023 -4.585 8.691 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.273 -5.893 7.937 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.546 -3.399 7.894 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.654 -5.922 6.557 1.00 0.00 C ATOM 0 H ILE A 81 2.083 -5.729 10.868 1.00 0.00 H new ATOM 0 HA ILE A 81 4.741 -4.882 9.961 1.00 0.00 H new ATOM 0 HB ILE A 81 1.948 -4.463 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.348 -6.052 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.876 -6.722 8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.067 -3.379 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.321 -2.475 8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.625 -3.492 7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.871 -6.878 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.575 -5.795 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.070 -5.114 5.955 1.00 0.00 H new ATOM 1259 N SER A 82 4.620 -2.846 11.428 1.00 0.00 N ATOM 1260 CA SER A 82 4.628 -1.555 12.107 1.00 0.00 C ATOM 1261 C SER A 82 4.052 -0.465 11.209 1.00 0.00 C ATOM 1262 O SER A 82 4.668 -0.071 10.219 1.00 0.00 O ATOM 1263 CB SER A 82 6.052 -1.186 12.527 1.00 0.00 C ATOM 1264 OG SER A 82 6.503 -2.014 13.585 1.00 0.00 O ATOM 0 H SER A 82 5.481 -3.383 11.532 1.00 0.00 H new ATOM 0 HA SER A 82 4.003 -1.636 12.996 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.723 -1.284 11.674 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.083 -0.142 12.839 1.00 0.00 H new ATOM 0 HG SER A 82 7.416 -1.759 13.834 1.00 0.00 H new ATOM 1270 N ARG A 83 2.865 0.018 11.562 1.00 0.00 N ATOM 1271 CA ARG A 83 2.204 1.061 10.788 1.00 0.00 C ATOM 1272 C ARG A 83 2.926 2.396 10.946 1.00 0.00 C ATOM 1273 O ARG A 83 3.375 2.746 12.038 1.00 0.00 O ATOM 1274 CB ARG A 83 0.745 1.204 11.226 1.00 0.00 C ATOM 1275 CG ARG A 83 0.578 1.445 12.717 1.00 0.00 C ATOM 1276 CD ARG A 83 0.489 2.930 13.035 1.00 0.00 C ATOM 1277 NE ARG A 83 0.071 3.171 14.413 1.00 0.00 N ATOM 1278 CZ ARG A 83 -1.199 3.187 14.804 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -2.169 2.978 13.925 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.500 3.413 16.077 1.00 0.00 N ATOM 0 H ARG A 83 2.342 -0.297 12.379 1.00 0.00 H new ATOM 0 HA ARG A 83 2.235 0.773 9.737 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.290 2.030 10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.201 0.301 10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.322 0.942 13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.419 1.007 13.254 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.459 3.396 12.864 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.217 3.405 12.354 1.00 0.00 H new ATOM 0 HE ARG A 83 0.793 3.336 15.114 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.941 2.804 12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.143 2.991 14.228 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.756 3.575 16.756 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.475 3.425 16.376 1.00 0.00 H new ATOM 1294 N LEU A 84 3.036 3.137 9.849 1.00 0.00 N ATOM 1295 CA LEU A 84 3.704 4.433 9.865 1.00 0.00 C ATOM 1296 C LEU A 84 2.767 5.535 9.381 1.00 0.00 C ATOM 1297 O LEU A 84 2.588 6.552 10.053 1.00 0.00 O ATOM 1298 CB LEU A 84 4.958 4.394 8.990 1.00 0.00 C ATOM 1299 CG LEU A 84 5.918 3.231 9.245 1.00 0.00 C ATOM 1300 CD1 LEU A 84 6.829 3.017 8.045 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.739 3.484 10.501 1.00 0.00 C ATOM 0 H LEU A 84 2.671 2.862 8.937 1.00 0.00 H new ATOM 0 HA LEU A 84 3.992 4.652 10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.647 4.360 7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.504 5.327 9.130 1.00 0.00 H new ATOM 0 HG LEU A 84 5.330 2.326 9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.505 2.186 8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.226 2.791 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.410 3.921 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.417 2.647 10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.317 4.400 10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.072 3.587 11.357 1.00 0.00 H new ATOM 1313 N LEU A 85 2.170 5.326 8.213 1.00 0.00 N ATOM 1314 CA LEU A 85 1.249 6.301 7.639 1.00 0.00 C ATOM 1315 C LEU A 85 -0.125 6.203 8.295 1.00 0.00 C ATOM 1316 O LEU A 85 -0.575 5.116 8.654 1.00 0.00 O ATOM 1317 CB LEU A 85 1.123 6.086 6.130 1.00 0.00 C ATOM 1318 CG LEU A 85 0.788 7.327 5.301 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.929 8.330 5.356 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.483 6.940 3.861 1.00 0.00 C ATOM 0 H LEU A 85 2.307 4.490 7.645 1.00 0.00 H new ATOM 0 HA LEU A 85 1.650 7.297 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.061 5.671 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.352 5.336 5.953 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.100 7.795 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.672 9.206 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.099 8.631 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.835 7.873 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.247 7.835 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.352 6.447 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.369 6.260 3.840 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.786 7.346 8.445 1.00 0.00 N ATOM 1333 CA GLU A 86 -2.110 7.388 9.057 1.00 0.00 C ATOM 1334 C GLU A 86 -3.180 7.705 8.016 1.00 0.00 C ATOM 1335 O GLU A 86 -2.931 8.385 7.020 1.00 0.00 O ATOM 1336 CB GLU A 86 -2.146 8.431 10.176 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.140 8.170 11.284 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.671 7.223 12.343 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -1.743 6.007 12.070 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -2.015 7.700 13.445 1.00 0.00 O ATOM 0 H GLU A 86 -0.427 8.255 8.152 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.319 6.405 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.956 9.416 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.148 8.457 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.230 7.753 10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.867 9.116 11.752 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.400 7.200 8.250 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.533 7.415 7.345 1.00 0.00 C ATOM 1349 C PRO A 87 -6.021 8.860 7.360 1.00 0.00 C ATOM 1350 O PRO A 87 -6.166 9.487 6.311 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.612 6.480 7.898 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.268 6.316 9.338 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.768 6.380 9.416 1.00 0.00 C ATOM 0 HA PRO A 87 -5.268 7.215 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.607 6.907 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.610 5.522 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.724 7.102 9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.638 5.365 9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.433 6.834 10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.320 5.387 9.366 1.00 0.00 H new ATOM 1361 N SER A 88 -6.272 9.382 8.557 1.00 0.00 N ATOM 1362 CA SER A 88 -6.747 10.752 8.708 1.00 0.00 C ATOM 1363 C SER A 88 -5.793 11.735 8.036 1.00 0.00 C ATOM 1364 O SER A 88 -6.175 12.457 7.115 1.00 0.00 O ATOM 1365 CB SER A 88 -6.897 11.102 10.190 1.00 0.00 C ATOM 1366 OG SER A 88 -5.652 11.017 10.863 1.00 0.00 O ATOM 0 H SER A 88 -6.154 8.877 9.435 1.00 0.00 H new ATOM 0 HA SER A 88 -7.720 10.828 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.300 12.110 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.613 10.425 10.656 1.00 0.00 H new ATOM 0 HG SER A 88 -5.774 11.247 11.808 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.550 11.757 8.505 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.539 12.650 7.950 1.00 0.00 C ATOM 1374 C ASP A 89 -3.697 12.777 6.438 1.00 0.00 C ATOM 1375 O ASP A 89 -3.675 13.880 5.892 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.137 12.140 8.287 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.578 11.228 7.213 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.428 11.688 6.062 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -1.292 10.053 7.524 1.00 0.00 O ATOM 0 H ASP A 89 -4.218 11.167 9.268 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.676 13.635 8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.468 12.989 8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.167 11.603 9.235 1.00 0.00 H new ATOM 1384 N MET A 90 -3.856 11.640 5.767 1.00 0.00 N ATOM 1385 CA MET A 90 -4.018 11.625 4.318 1.00 0.00 C ATOM 1386 C MET A 90 -5.103 12.604 3.882 1.00 0.00 C ATOM 1387 O MET A 90 -4.938 13.335 2.905 1.00 0.00 O ATOM 1388 CB MET A 90 -4.364 10.215 3.837 1.00 0.00 C ATOM 1389 CG MET A 90 -3.256 9.202 4.076 1.00 0.00 C ATOM 1390 SD MET A 90 -1.926 9.329 2.865 1.00 0.00 S ATOM 1391 CE MET A 90 -2.228 7.867 1.876 1.00 0.00 C ATOM 0 H MET A 90 -3.876 10.718 6.204 1.00 0.00 H new ATOM 0 HA MET A 90 -3.074 11.933 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.268 9.879 4.344 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.590 10.249 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.847 9.346 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.675 8.196 4.045 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.657 7.930 0.950 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.921 6.981 2.432 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.291 7.798 1.643 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.214 12.614 4.612 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.326 13.504 4.301 1.00 0.00 C ATOM 1403 C VAL A 91 -6.986 14.950 4.646 1.00 0.00 C ATOM 1404 O VAL A 91 -7.180 15.856 3.835 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.603 13.094 5.059 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.736 14.064 4.761 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -9.000 11.670 4.699 1.00 0.00 C ATOM 0 H VAL A 91 -6.368 12.015 5.423 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.506 13.422 3.229 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.398 13.131 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.630 13.758 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.447 15.068 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.944 14.062 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.904 11.396 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.187 11.604 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.193 10.988 4.969 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.477 15.159 5.855 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.109 16.496 6.309 1.00 0.00 C ATOM 1419 C LEU A 92 -5.356 17.253 5.220 1.00 0.00 C ATOM 1420 O LEU A 92 -5.808 18.296 4.747 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.250 16.408 7.572 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.889 15.706 8.771 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.850 15.436 9.848 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -7.034 16.538 9.329 1.00 0.00 C ATOM 0 H LEU A 92 -6.310 14.421 6.538 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.025 17.041 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.325 15.888 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.976 17.419 7.872 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.291 14.750 8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.323 14.936 10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.064 14.799 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.417 16.379 10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.476 16.023 10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.656 17.509 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.791 16.679 8.557 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.205 16.719 4.824 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.389 17.343 3.788 1.00 0.00 C ATOM 1438 C LEU A 93 -3.822 16.878 2.401 1.00 0.00 C ATOM 1439 O LEU A 93 -4.527 15.879 2.262 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.912 17.016 4.010 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.557 15.530 4.090 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.256 14.978 2.706 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.374 15.314 5.022 1.00 0.00 C ATOM 0 H LEU A 93 -3.816 15.856 5.204 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.529 18.422 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.336 17.463 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.589 17.496 4.934 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.415 14.992 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.006 13.920 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.132 15.098 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.415 15.519 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.135 14.251 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.489 15.864 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.627 15.671 6.020 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.394 17.610 1.377 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.733 17.270 0.001 1.00 0.00 C ATOM 1457 C ALA A 94 -2.829 16.163 -0.530 1.00 0.00 C ATOM 1458 O ALA A 94 -3.307 15.117 -0.970 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.638 18.503 -0.885 1.00 0.00 C ATOM 0 H ALA A 94 -2.812 18.442 1.475 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.759 16.903 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.894 18.235 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.331 19.264 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.621 18.895 -0.855 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.523 16.401 -0.487 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.553 15.423 -0.964 1.00 0.00 C ATOM 1467 C ILE A 95 0.379 14.980 0.158 1.00 0.00 C ATOM 1468 O ILE A 95 1.005 15.794 0.837 1.00 0.00 O ATOM 1469 CB ILE A 95 0.290 15.985 -2.124 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.619 16.503 -3.240 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.237 14.920 -2.656 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.487 15.429 -3.859 1.00 0.00 C ATOM 0 H ILE A 95 -1.112 17.262 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.121 14.564 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 95 0.885 16.818 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.258 17.290 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.004 16.955 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.826 15.333 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.904 14.595 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.661 14.068 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.105 15.867 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.854 14.652 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.128 14.993 -3.093 1.00 0.00 H new ATOM 1484 N PRO A 96 0.475 13.657 0.360 1.00 0.00 N ATOM 1485 CA PRO A 96 1.331 13.075 1.398 1.00 0.00 C ATOM 1486 C PRO A 96 2.814 13.234 1.084 1.00 0.00 C ATOM 1487 O PRO A 96 3.187 13.918 0.130 1.00 0.00 O ATOM 1488 CB PRO A 96 0.939 11.595 1.393 1.00 0.00 C ATOM 1489 CG PRO A 96 0.417 11.347 0.019 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.243 12.628 -0.411 1.00 0.00 C ATOM 0 HA PRO A 96 1.191 13.564 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.796 10.958 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.182 11.383 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.224 11.076 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.294 10.521 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.146 12.789 -1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.309 12.627 -0.184 1.00 0.00 H new ATOM 1498 N ASP A 97 3.657 12.600 1.892 1.00 0.00 N ATOM 1499 CA ASP A 97 5.101 12.670 1.699 1.00 0.00 C ATOM 1500 C ASP A 97 5.617 11.416 1.001 1.00 0.00 C ATOM 1501 O ASP A 97 5.803 10.374 1.631 1.00 0.00 O ATOM 1502 CB ASP A 97 5.808 12.849 3.043 1.00 0.00 C ATOM 1503 CG ASP A 97 5.888 14.303 3.465 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.835 14.974 3.485 1.00 0.00 O ATOM 1505 OD2 ASP A 97 7.005 14.771 3.775 1.00 0.00 O ATOM 0 H ASP A 97 3.365 12.032 2.687 1.00 0.00 H new ATOM 0 HA ASP A 97 5.317 13.531 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.279 12.280 3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.815 12.436 2.979 1.00 0.00 H new ATOM 1510 N LYS A 98 5.847 11.522 -0.303 1.00 0.00 N ATOM 1511 CA LYS A 98 6.342 10.397 -1.088 1.00 0.00 C ATOM 1512 C LYS A 98 7.360 9.586 -0.293 1.00 0.00 C ATOM 1513 O LYS A 98 7.272 8.359 -0.221 1.00 0.00 O ATOM 1514 CB LYS A 98 6.976 10.896 -2.388 1.00 0.00 C ATOM 1515 CG LYS A 98 7.056 9.835 -3.472 1.00 0.00 C ATOM 1516 CD LYS A 98 7.750 10.360 -4.717 1.00 0.00 C ATOM 1517 CE LYS A 98 9.251 10.123 -4.660 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.967 11.254 -4.007 1.00 0.00 N ATOM 0 H LYS A 98 5.698 12.377 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 98 5.496 9.752 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.400 11.743 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.980 11.263 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.595 8.967 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.051 9.500 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.337 9.871 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.553 11.427 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.453 9.202 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.635 9.985 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.946 11.293 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.483 12.147 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.972 11.113 -2.977 1.00 0.00 H new ATOM 1532 N LEU A 99 8.325 10.277 0.304 1.00 0.00 N ATOM 1533 CA LEU A 99 9.359 9.620 1.096 1.00 0.00 C ATOM 1534 C LEU A 99 8.740 8.755 2.190 1.00 0.00 C ATOM 1535 O LEU A 99 9.186 7.633 2.436 1.00 0.00 O ATOM 1536 CB LEU A 99 10.290 10.662 1.720 1.00 0.00 C ATOM 1537 CG LEU A 99 10.856 11.713 0.766 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.349 12.926 1.539 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.978 11.122 -0.075 1.00 0.00 C ATOM 0 H LEU A 99 8.413 11.292 0.255 1.00 0.00 H new ATOM 0 HA LEU A 99 9.936 8.976 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.748 11.176 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.124 10.140 2.190 1.00 0.00 H new ATOM 0 HG LEU A 99 10.058 12.034 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.748 13.663 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.521 13.364 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.132 12.621 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.369 11.885 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.777 10.771 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.593 10.286 -0.659 1.00 0.00 H new ATOM 1551 N THR A 100 7.709 9.282 2.842 1.00 0.00 N ATOM 1552 CA THR A 100 7.027 8.558 3.908 1.00 0.00 C ATOM 1553 C THR A 100 6.345 7.304 3.372 1.00 0.00 C ATOM 1554 O THR A 100 6.716 6.184 3.725 1.00 0.00 O ATOM 1555 CB THR A 100 5.977 9.442 4.605 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.545 10.716 4.928 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.463 8.774 5.872 1.00 0.00 C ATOM 0 H THR A 100 7.327 10.208 2.651 1.00 0.00 H new ATOM 0 HA THR A 100 7.789 8.272 4.633 1.00 0.00 H new ATOM 0 HB THR A 100 5.140 9.581 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.010 11.145 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.722 9.417 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.005 7.818 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.293 8.608 6.558 1.00 0.00 H new ATOM 1565 N VAL A 101 5.346 7.499 2.517 1.00 0.00 N ATOM 1566 CA VAL A 101 4.613 6.383 1.931 1.00 0.00 C ATOM 1567 C VAL A 101 5.563 5.284 1.469 1.00 0.00 C ATOM 1568 O VAL A 101 5.498 4.152 1.948 1.00 0.00 O ATOM 1569 CB VAL A 101 3.756 6.841 0.736 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.034 5.657 0.111 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.766 7.911 1.170 1.00 0.00 C ATOM 0 H VAL A 101 5.026 8.419 2.215 1.00 0.00 H new ATOM 0 HA VAL A 101 3.959 5.990 2.709 1.00 0.00 H new ATOM 0 HB VAL A 101 4.415 7.272 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.434 6.000 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.765 4.928 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.385 5.193 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.169 8.223 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.110 7.508 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.308 8.769 1.566 1.00 0.00 H new ATOM 1581 N MET A 102 6.445 5.625 0.535 1.00 0.00 N ATOM 1582 CA MET A 102 7.411 4.666 0.010 1.00 0.00 C ATOM 1583 C MET A 102 8.031 3.846 1.136 1.00 0.00 C ATOM 1584 O MET A 102 8.119 2.621 1.050 1.00 0.00 O ATOM 1585 CB MET A 102 8.508 5.391 -0.772 1.00 0.00 C ATOM 1586 CG MET A 102 8.134 5.679 -2.218 1.00 0.00 C ATOM 1587 SD MET A 102 9.494 6.403 -3.155 1.00 0.00 S ATOM 1588 CE MET A 102 10.018 4.996 -4.132 1.00 0.00 C ATOM 0 H MET A 102 6.511 6.557 0.126 1.00 0.00 H new ATOM 0 HA MET A 102 6.884 3.988 -0.661 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.739 6.331 -0.271 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.416 4.788 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.819 4.753 -2.699 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.281 6.357 -2.241 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.856 5.285 -4.766 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.327 4.188 -3.469 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.191 4.658 -4.756 1.00 0.00 H new ATOM 1598 N THR A 103 8.460 4.529 2.193 1.00 0.00 N ATOM 1599 CA THR A 103 9.073 3.864 3.336 1.00 0.00 C ATOM 1600 C THR A 103 8.173 2.757 3.875 1.00 0.00 C ATOM 1601 O THR A 103 8.597 1.609 4.007 1.00 0.00 O ATOM 1602 CB THR A 103 9.377 4.861 4.470 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.277 5.872 4.004 1.00 0.00 O ATOM 1604 CG2 THR A 103 9.984 4.148 5.669 1.00 0.00 C ATOM 0 H THR A 103 8.394 5.543 2.281 1.00 0.00 H new ATOM 0 HA THR A 103 10.009 3.429 2.985 1.00 0.00 H new ATOM 0 HB THR A 103 8.440 5.324 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.764 6.637 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.190 4.872 6.457 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.284 3.398 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.913 3.662 5.371 1.00 0.00 H new ATOM 1612 N TYR A 104 6.931 3.110 4.186 1.00 0.00 N ATOM 1613 CA TYR A 104 5.972 2.146 4.713 1.00 0.00 C ATOM 1614 C TYR A 104 5.864 0.929 3.799 1.00 0.00 C ATOM 1615 O TYR A 104 6.110 -0.202 4.220 1.00 0.00 O ATOM 1616 CB TYR A 104 4.598 2.799 4.876 1.00 0.00 C ATOM 1617 CG TYR A 104 3.597 1.929 5.601 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.950 1.241 6.755 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.295 1.795 5.131 1.00 0.00 C ATOM 1620 CE1 TYR A 104 3.039 0.445 7.420 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.376 1.002 5.791 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.753 0.328 6.934 1.00 0.00 C ATOM 1623 OH TYR A 104 0.841 -0.463 7.594 1.00 0.00 O ATOM 0 H TYR A 104 6.564 4.056 4.082 1.00 0.00 H new ATOM 0 HA TYR A 104 6.328 1.814 5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.713 3.737 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.204 3.048 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.955 1.330 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.997 2.320 4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.331 -0.083 8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.368 0.910 5.414 1.00 0.00 H new ATOM 0 HH TYR A 104 1.177 -0.671 8.491 1.00 0.00 H new ATOM 1633 N LEU A 105 5.496 1.170 2.546 1.00 0.00 N ATOM 1634 CA LEU A 105 5.355 0.095 1.570 1.00 0.00 C ATOM 1635 C LEU A 105 6.450 -0.952 1.751 1.00 0.00 C ATOM 1636 O LEU A 105 6.170 -2.111 2.057 1.00 0.00 O ATOM 1637 CB LEU A 105 5.404 0.660 0.149 1.00 0.00 C ATOM 1638 CG LEU A 105 4.087 1.206 -0.402 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.342 2.111 -1.597 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.154 0.066 -0.783 1.00 0.00 C ATOM 0 H LEU A 105 5.290 2.100 2.182 1.00 0.00 H new ATOM 0 HA LEU A 105 4.389 -0.384 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.145 1.459 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.757 -0.124 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 105 3.606 1.796 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.393 2.490 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.971 2.947 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.845 1.545 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.222 0.474 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.627 -0.552 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.944 -0.542 0.097 1.00 0.00 H new ATOM 1652 N TYR A 106 7.697 -0.534 1.563 1.00 0.00 N ATOM 1653 CA TYR A 106 8.835 -1.435 1.705 1.00 0.00 C ATOM 1654 C TYR A 106 8.585 -2.457 2.810 1.00 0.00 C ATOM 1655 O TYR A 106 8.935 -3.629 2.677 1.00 0.00 O ATOM 1656 CB TYR A 106 10.106 -0.641 2.008 1.00 0.00 C ATOM 1657 CG TYR A 106 10.720 0.007 0.788 1.00 0.00 C ATOM 1658 CD1 TYR A 106 11.042 -0.744 -0.335 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.976 1.373 0.758 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.603 -0.156 -1.452 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.536 1.970 -0.355 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.848 1.202 -1.457 1.00 0.00 C ATOM 1663 OH TYR A 106 12.406 1.792 -2.568 1.00 0.00 O ATOM 0 H TYR A 106 7.945 0.423 1.312 1.00 0.00 H new ATOM 0 HA TYR A 106 8.964 -1.968 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.876 0.131 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.840 -1.306 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.850 -1.807 -0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.733 1.978 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.848 -0.755 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.728 3.033 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 106 12.512 2.753 -2.409 1.00 0.00 H new ATOM 1673 N GLN A 107 7.975 -2.003 3.901 1.00 0.00 N ATOM 1674 CA GLN A 107 7.678 -2.877 5.029 1.00 0.00 C ATOM 1675 C GLN A 107 6.758 -4.018 4.607 1.00 0.00 C ATOM 1676 O GLN A 107 6.999 -5.178 4.941 1.00 0.00 O ATOM 1677 CB GLN A 107 7.033 -2.079 6.164 1.00 0.00 C ATOM 1678 CG GLN A 107 7.871 -0.899 6.630 1.00 0.00 C ATOM 1679 CD GLN A 107 9.088 -1.327 7.426 1.00 0.00 C ATOM 1680 OE1 GLN A 107 8.984 -2.108 8.372 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.254 -0.816 7.046 1.00 0.00 N ATOM 0 H GLN A 107 7.677 -1.036 4.027 1.00 0.00 H new ATOM 0 HA GLN A 107 8.617 -3.304 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.060 -1.715 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.855 -2.744 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.193 -0.322 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.255 -0.239 7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.295 -0.172 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.108 -1.068 7.544 1.00 0.00 H new ATOM 1690 N ILE A 108 5.704 -3.679 3.872 1.00 0.00 N ATOM 1691 CA ILE A 108 4.748 -4.676 3.404 1.00 0.00 C ATOM 1692 C ILE A 108 5.370 -5.578 2.344 1.00 0.00 C ATOM 1693 O ILE A 108 5.435 -6.796 2.512 1.00 0.00 O ATOM 1694 CB ILE A 108 3.485 -4.014 2.822 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.759 -3.211 3.904 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.562 -5.067 2.227 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.176 -1.758 3.960 1.00 0.00 C ATOM 0 H ILE A 108 5.490 -2.723 3.588 1.00 0.00 H new ATOM 0 HA ILE A 108 4.468 -5.276 4.270 1.00 0.00 H new ATOM 0 HB ILE A 108 3.784 -3.330 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.685 -3.266 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.946 -3.672 4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.674 -4.584 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.083 -5.599 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.267 -5.773 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.621 -1.250 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.244 -1.694 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.964 -1.281 3.003 1.00 0.00 H new ATOM 1709 N ARG A 109 5.828 -4.972 1.253 1.00 0.00 N ATOM 1710 CA ARG A 109 6.445 -5.721 0.165 1.00 0.00 C ATOM 1711 C ARG A 109 7.578 -6.601 0.686 1.00 0.00 C ATOM 1712 O ARG A 109 7.784 -7.714 0.203 1.00 0.00 O ATOM 1713 CB ARG A 109 6.978 -4.764 -0.903 1.00 0.00 C ATOM 1714 CG ARG A 109 7.939 -5.419 -1.882 1.00 0.00 C ATOM 1715 CD ARG A 109 9.373 -5.362 -1.379 1.00 0.00 C ATOM 1716 NE ARG A 109 10.335 -5.670 -2.433 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.797 -4.769 -3.293 1.00 0.00 C ATOM 1718 NH1 ARG A 109 10.385 -3.511 -3.224 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.671 -5.127 -4.225 1.00 0.00 N ATOM 0 H ARG A 109 5.783 -3.965 1.099 1.00 0.00 H new ATOM 0 HA ARG A 109 5.684 -6.363 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.137 -4.346 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.483 -3.931 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.648 -6.458 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.871 -4.920 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.578 -4.369 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.497 -6.067 -0.557 1.00 0.00 H new ATOM 0 HE ARG A 109 10.671 -6.630 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.712 -3.233 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.741 -2.821 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.989 -6.095 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.025 -4.435 -4.885 1.00 0.00 H new ATOM 1733 N ALA A 110 8.309 -6.094 1.673 1.00 0.00 N ATOM 1734 CA ALA A 110 9.419 -6.835 2.260 1.00 0.00 C ATOM 1735 C ALA A 110 8.919 -8.041 3.047 1.00 0.00 C ATOM 1736 O ALA A 110 9.441 -9.147 2.905 1.00 0.00 O ATOM 1737 CB ALA A 110 10.246 -5.924 3.155 1.00 0.00 C ATOM 0 H ALA A 110 8.153 -5.173 2.083 1.00 0.00 H new ATOM 0 HA ALA A 110 10.049 -7.200 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.071 -6.490 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.642 -5.097 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.618 -5.531 3.955 1.00 0.00 H new ATOM 1743 N HIS A 111 7.905 -7.821 3.878 1.00 0.00 N ATOM 1744 CA HIS A 111 7.335 -8.892 4.688 1.00 0.00 C ATOM 1745 C HIS A 111 6.977 -10.096 3.823 1.00 0.00 C ATOM 1746 O HIS A 111 7.506 -11.191 4.017 1.00 0.00 O ATOM 1747 CB HIS A 111 6.093 -8.394 5.428 1.00 0.00 C ATOM 1748 CG HIS A 111 5.463 -9.430 6.306 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.724 -9.533 7.656 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.577 -10.413 6.021 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.028 -10.535 8.163 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.323 -11.085 7.191 1.00 0.00 N ATOM 0 H HIS A 111 7.462 -6.912 4.008 1.00 0.00 H new ATOM 0 HA HIS A 111 8.084 -9.201 5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.364 -7.531 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.358 -8.052 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.149 -10.629 5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.034 -10.850 9.196 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.692 -11.880 7.293 1.00 0.00 H new ATOM 1761 N PHE A 112 6.076 -9.887 2.869 1.00 0.00 N ATOM 1762 CA PHE A 112 5.647 -10.956 1.975 1.00 0.00 C ATOM 1763 C PHE A 112 6.824 -11.496 1.168 1.00 0.00 C ATOM 1764 O PHE A 112 7.044 -12.705 1.104 1.00 0.00 O ATOM 1765 CB PHE A 112 4.554 -10.452 1.031 1.00 0.00 C ATOM 1766 CG PHE A 112 3.229 -10.240 1.706 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.446 -11.320 2.080 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.766 -8.960 1.965 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.227 -11.129 2.702 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.548 -8.762 2.587 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.777 -9.848 2.955 1.00 0.00 C ATOM 0 H PHE A 112 5.629 -8.987 2.695 1.00 0.00 H new ATOM 0 HA PHE A 112 5.246 -11.766 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.878 -9.513 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.428 -11.168 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.793 -12.324 1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.364 -8.108 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.627 -11.980 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.199 -7.759 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.176 -9.695 3.440 1.00 0.00 H new ATOM 1781 N SER A 113 7.576 -10.589 0.552 1.00 0.00 N ATOM 1782 CA SER A 113 8.728 -10.973 -0.256 1.00 0.00 C ATOM 1783 C SER A 113 10.020 -10.432 0.349 1.00 0.00 C ATOM 1784 O SER A 113 10.375 -9.272 0.145 1.00 0.00 O ATOM 1785 CB SER A 113 8.568 -10.460 -1.688 1.00 0.00 C ATOM 1786 OG SER A 113 9.344 -11.224 -2.594 1.00 0.00 O ATOM 0 H SER A 113 7.408 -9.584 0.597 1.00 0.00 H new ATOM 0 HA SER A 113 8.782 -12.062 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 113 7.518 -10.503 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.870 -9.414 -1.738 1.00 0.00 H new ATOM 0 HG SER A 113 9.223 -10.877 -3.502 1.00 0.00 H new ATOM 1792 N SER A 114 10.718 -11.282 1.095 1.00 0.00 N ATOM 1793 CA SER A 114 11.969 -10.890 1.733 1.00 0.00 C ATOM 1794 C SER A 114 13.150 -11.101 0.790 1.00 0.00 C ATOM 1795 O SER A 114 13.686 -12.203 0.685 1.00 0.00 O ATOM 1796 CB SER A 114 12.181 -11.688 3.021 1.00 0.00 C ATOM 1797 OG SER A 114 11.133 -11.454 3.945 1.00 0.00 O ATOM 0 H SER A 114 10.438 -12.247 1.272 1.00 0.00 H new ATOM 0 HA SER A 114 11.907 -9.829 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.234 -12.752 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.135 -11.412 3.471 1.00 0.00 H new ATOM 0 HG SER A 114 10.558 -10.733 3.612 1.00 0.00 H new ATOM 1803 N GLY A 115 13.551 -10.034 0.105 1.00 0.00 N ATOM 1804 CA GLY A 115 14.665 -10.122 -0.820 1.00 0.00 C ATOM 1805 C GLY A 115 15.974 -10.436 -0.123 1.00 0.00 C ATOM 1806 O GLY A 115 16.602 -11.466 -0.371 1.00 0.00 O ATOM 0 H GLY A 115 13.124 -9.110 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 115 14.458 -10.894 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 115 14.761 -9.180 -1.359 1.00 0.00 H new ATOM 1810 N PRO A 116 16.405 -9.533 0.769 1.00 0.00 N ATOM 1811 CA PRO A 116 17.653 -9.696 1.521 1.00 0.00 C ATOM 1812 C PRO A 116 17.567 -10.818 2.551 1.00 0.00 C ATOM 1813 O PRO A 116 18.513 -11.061 3.299 1.00 0.00 O ATOM 1814 CB PRO A 116 17.828 -8.344 2.217 1.00 0.00 C ATOM 1815 CG PRO A 116 16.448 -7.794 2.329 1.00 0.00 C ATOM 1816 CD PRO A 116 15.708 -8.283 1.114 1.00 0.00 C ATOM 0 HA PRO A 116 18.486 -9.968 0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 116 18.289 -8.460 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 116 18.472 -7.682 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.965 -8.136 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.464 -6.705 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.654 -8.457 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.752 -7.560 0.299 1.00 0.00 H new ATOM 1824 N SER A 117 16.425 -11.498 2.584 1.00 0.00 N ATOM 1825 CA SER A 117 16.214 -12.592 3.524 1.00 0.00 C ATOM 1826 C SER A 117 17.511 -13.359 3.766 1.00 0.00 C ATOM 1827 O SER A 117 17.930 -14.168 2.939 1.00 0.00 O ATOM 1828 CB SER A 117 15.137 -13.544 3.000 1.00 0.00 C ATOM 1829 OG SER A 117 15.057 -14.713 3.796 1.00 0.00 O ATOM 0 H SER A 117 15.632 -11.310 1.970 1.00 0.00 H new ATOM 0 HA SER A 117 15.882 -12.165 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.172 -13.038 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.360 -13.817 1.969 1.00 0.00 H new ATOM 0 HG SER A 117 14.360 -15.304 3.441 1.00 0.00 H new ATOM 1835 N SER A 118 18.142 -13.097 4.906 1.00 0.00 N ATOM 1836 CA SER A 118 19.394 -13.758 5.257 1.00 0.00 C ATOM 1837 C SER A 118 19.130 -15.131 5.867 1.00 0.00 C ATOM 1838 O SER A 118 18.361 -15.263 6.818 1.00 0.00 O ATOM 1839 CB SER A 118 20.193 -12.897 6.237 1.00 0.00 C ATOM 1840 OG SER A 118 21.383 -13.553 6.639 1.00 0.00 O ATOM 0 H SER A 118 17.807 -12.432 5.603 1.00 0.00 H new ATOM 0 HA SER A 118 19.975 -13.890 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 118 20.440 -11.943 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.583 -12.675 7.112 1.00 0.00 H new ATOM 0 HG SER A 118 21.877 -12.982 7.264 1.00 0.00 H new ATOM 1846 N GLY A 119 19.775 -16.152 5.311 1.00 0.00 N ATOM 1847 CA GLY A 119 19.598 -17.503 5.812 1.00 0.00 C ATOM 1848 C GLY A 119 19.019 -18.437 4.768 1.00 0.00 C ATOM 1849 O GLY A 119 19.758 -19.096 4.037 1.00 0.00 O ATOM 0 H GLY A 119 20.417 -16.068 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 119 20.559 -17.891 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 119 18.940 -17.482 6.681 1.00 0.00 H new TER 1853 GLY A 119