USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 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 9 LYS NZ :NH3+ 174:sc= 0.5 (180deg=0) USER MOD Set 1.2: A 10 HIS : no HE2:sc= -2.58! C(o=-2.1!,f=-11!) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.533 USER MOD Single : A 7 GLN : amide:sc= -4.41! C(o=-4.4!,f=-5.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 108:sc= -2.18! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0011 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -0.324 (180deg=-1.3!) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0218 (180deg=-0.324) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -0.198 (180deg=-1.53!) USER MOD Single : A 23 MET CE :methyl 145:sc= -2.22 (180deg=-4.31!) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -1.23! (180deg=-2.91!) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -2.18! (180deg=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 34 ASN :FLIP amide:sc= -2.84! C(o=-5.6!,f=-2.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.946 (180deg=-1.7) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.96 X(o=-0.96,f=-1.2) USER MOD Single : A 54 ASN : amide:sc= -1.61 K(o=-1.6,f=-8.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 59 SER OG : rot 97:sc= 0.166 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.93!,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=-0.065) USER MOD Single : A 77 TYR OH : rot -91:sc= 0.435 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.538 (180deg=-1.05) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -165:sc= -0.494 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 84 ASN :FLIP amide:sc= -2.78! C(o=-7.3!,f=-2.8!) USER MOD Single : A 85 THR OG1 : rot -84:sc= 1.4 USER MOD Single : A 87 CYS SG : rot 180:sc= -4.08! USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 92 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.1!) USER MOD Single : A 93 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.74) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.574 10.716 -0.911 1.00 1.00 N ATOM 16 CA ASP A 2 -6.746 10.964 -2.368 1.00 1.00 C ATOM 17 C ASP A 2 -6.247 9.736 -3.132 1.00 1.00 C ATOM 18 O ASP A 2 -5.107 9.338 -3.013 1.00 1.00 O ATOM 19 CB ASP A 2 -5.940 12.202 -2.780 1.00 1.00 C ATOM 20 CG ASP A 2 -6.812 13.454 -2.649 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.742 13.587 -3.428 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.535 14.257 -1.774 1.00 1.00 O ATOM 0 HA ASP A 2 -7.797 11.140 -2.597 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.054 12.297 -2.152 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.592 12.096 -3.807 1.00 1.00 H new ATOM 27 N TRP A 3 -7.099 9.121 -3.903 1.00 1.00 N ATOM 28 CA TRP A 3 -6.679 7.909 -4.661 1.00 1.00 C ATOM 29 C TRP A 3 -5.336 8.177 -5.349 1.00 1.00 C ATOM 30 O TRP A 3 -4.544 7.280 -5.556 1.00 1.00 O ATOM 31 CB TRP A 3 -7.766 7.564 -5.686 1.00 1.00 C ATOM 32 CG TRP A 3 -7.219 6.721 -6.799 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.523 6.899 -8.105 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.307 5.577 -6.744 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.852 5.953 -8.857 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.092 5.116 -8.067 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.648 4.902 -5.697 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.259 4.031 -8.339 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.809 3.808 -5.971 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.615 3.375 -7.288 1.00 1.00 C ATOM 0 H TRP A 3 -8.069 9.405 -4.041 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.552 7.063 -3.986 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.580 7.033 -5.191 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.187 8.482 -6.096 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -8.184 7.658 -8.497 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.912 5.882 -9.873 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.789 5.228 -4.677 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.113 3.700 -9.357 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.311 3.298 -5.160 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -3.968 2.534 -7.491 1.00 1.00 H new ATOM 51 N GLU A 4 -5.066 9.407 -5.693 1.00 1.00 N ATOM 52 CA GLU A 4 -3.769 9.728 -6.356 1.00 1.00 C ATOM 53 C GLU A 4 -2.616 9.399 -5.405 1.00 1.00 C ATOM 54 O GLU A 4 -1.980 8.374 -5.528 1.00 1.00 O ATOM 55 CB GLU A 4 -3.735 11.217 -6.714 1.00 1.00 C ATOM 56 CG GLU A 4 -2.495 11.517 -7.557 1.00 1.00 C ATOM 57 CD GLU A 4 -2.630 10.846 -8.926 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.719 10.393 -9.237 1.00 1.00 O ATOM 59 OE2 GLU A 4 -1.642 10.797 -9.639 1.00 1.00 O ATOM 0 H GLU A 4 -5.686 10.203 -5.544 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.666 9.136 -7.265 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.635 11.489 -7.265 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -3.723 11.819 -5.805 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -2.377 12.594 -7.679 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -1.601 11.154 -7.049 1.00 1.00 H new ATOM 66 N THR A 5 -2.340 10.253 -4.457 1.00 1.00 N ATOM 67 CA THR A 5 -1.227 9.968 -3.506 1.00 1.00 C ATOM 68 C THR A 5 -1.383 8.548 -2.968 1.00 1.00 C ATOM 69 O THR A 5 -0.436 7.791 -2.893 1.00 1.00 O ATOM 70 CB THR A 5 -1.271 10.960 -2.346 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.207 10.683 -1.447 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.609 10.837 -1.615 1.00 1.00 C ATOM 0 H THR A 5 -2.834 11.131 -4.300 1.00 1.00 H new ATOM 0 HA THR A 5 -0.272 10.065 -4.022 1.00 1.00 H new ATOM 0 HB THR A 5 -1.165 11.974 -2.731 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.134 11.409 -0.793 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.638 11.546 -0.788 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.423 11.053 -2.307 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.721 9.824 -1.229 1.00 1.00 H new ATOM 80 N PHE A 6 -2.579 8.177 -2.607 1.00 1.00 N ATOM 81 CA PHE A 6 -2.807 6.800 -2.091 1.00 1.00 C ATOM 82 C PHE A 6 -2.226 5.811 -3.098 1.00 1.00 C ATOM 83 O PHE A 6 -1.861 4.703 -2.767 1.00 1.00 O ATOM 84 CB PHE A 6 -4.311 6.561 -1.936 1.00 1.00 C ATOM 85 CG PHE A 6 -4.557 5.384 -1.021 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.410 5.529 0.363 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.936 4.148 -1.559 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.642 4.438 1.208 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.169 3.058 -0.714 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.022 3.202 0.669 1.00 1.00 C ATOM 0 H PHE A 6 -3.409 8.769 -2.647 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.326 6.670 -1.121 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.789 7.453 -1.531 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.760 6.374 -2.911 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.118 6.482 0.779 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.048 4.036 -2.627 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.528 4.549 2.276 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.462 2.105 -1.130 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.201 2.360 1.322 1.00 1.00 H new ATOM 100 N GLN A 7 -2.135 6.220 -4.332 1.00 1.00 N ATOM 101 CA GLN A 7 -1.574 5.325 -5.379 1.00 1.00 C ATOM 102 C GLN A 7 -0.057 5.518 -5.449 1.00 1.00 C ATOM 103 O GLN A 7 0.664 4.669 -5.935 1.00 1.00 O ATOM 104 CB GLN A 7 -2.190 5.685 -6.736 1.00 1.00 C ATOM 105 CG GLN A 7 -1.822 4.627 -7.779 1.00 1.00 C ATOM 106 CD GLN A 7 -0.400 4.876 -8.288 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.435 3.994 -8.247 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.089 6.049 -8.769 1.00 1.00 N ATOM 0 H GLN A 7 -2.427 7.140 -4.661 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.802 4.288 -5.135 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.274 5.755 -6.645 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.833 6.663 -7.058 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.893 3.631 -7.341 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.527 4.661 -8.610 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.791 6.789 -8.803 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.856 6.226 -9.111 1.00 1.00 H new ATOM 117 N LYS A 8 0.434 6.639 -4.989 1.00 1.00 N ATOM 118 CA LYS A 8 1.905 6.889 -5.060 1.00 1.00 C ATOM 119 C LYS A 8 2.626 6.388 -3.799 1.00 1.00 C ATOM 120 O LYS A 8 3.618 5.693 -3.886 1.00 1.00 O ATOM 121 CB LYS A 8 2.148 8.390 -5.215 1.00 1.00 C ATOM 122 CG LYS A 8 1.197 8.950 -6.278 1.00 1.00 C ATOM 123 CD LYS A 8 1.596 10.391 -6.630 1.00 1.00 C ATOM 124 CE LYS A 8 1.094 10.740 -8.035 1.00 1.00 C ATOM 125 NZ LYS A 8 2.110 10.324 -9.043 1.00 1.00 N ATOM 0 H LYS A 8 -0.116 7.389 -4.569 1.00 1.00 H new ATOM 0 HA LYS A 8 2.303 6.344 -5.916 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.987 8.896 -4.263 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.183 8.575 -5.503 1.00 1.00 H new ATOM 0 HG2 LYS A 8 1.228 8.326 -7.171 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.172 8.927 -5.909 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.175 11.083 -5.901 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.680 10.500 -6.584 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.146 10.238 -8.229 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.908 11.811 -8.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.770 10.561 -9.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 3.004 10.823 -8.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.266 9.298 -8.976 1.00 1.00 H new ATOM 139 N LYS A 9 2.169 6.760 -2.632 1.00 1.00 N ATOM 140 CA LYS A 9 2.878 6.326 -1.388 1.00 1.00 C ATOM 141 C LYS A 9 2.435 4.926 -0.935 1.00 1.00 C ATOM 142 O LYS A 9 3.253 4.109 -0.563 1.00 1.00 O ATOM 143 CB LYS A 9 2.602 7.335 -0.266 1.00 1.00 C ATOM 144 CG LYS A 9 1.132 7.758 -0.292 1.00 1.00 C ATOM 145 CD LYS A 9 0.764 8.407 1.047 1.00 1.00 C ATOM 146 CE LYS A 9 -0.727 8.757 1.063 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.198 8.852 2.474 1.00 1.00 N ATOM 0 H LYS A 9 1.343 7.340 -2.485 1.00 1.00 H new ATOM 0 HA LYS A 9 3.945 6.284 -1.609 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.844 6.892 0.700 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.242 8.209 -0.386 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.959 8.459 -1.108 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.496 6.892 -0.476 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.996 7.727 1.867 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.360 9.307 1.201 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.895 9.702 0.547 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.296 7.996 0.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.182 9.188 2.490 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.145 7.915 2.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.596 9.520 2.997 1.00 1.00 H new ATOM 161 N HIS A 10 1.160 4.642 -0.923 1.00 1.00 N ATOM 162 CA HIS A 10 0.712 3.297 -0.448 1.00 1.00 C ATOM 163 C HIS A 10 0.859 2.244 -1.546 1.00 1.00 C ATOM 164 O HIS A 10 0.755 1.072 -1.279 1.00 1.00 O ATOM 165 CB HIS A 10 -0.751 3.364 -0.004 1.00 1.00 C ATOM 166 CG HIS A 10 -0.873 4.286 1.178 1.00 1.00 C ATOM 167 ND1 HIS A 10 -2.010 4.322 1.974 1.00 1.00 N ATOM 168 CD2 HIS A 10 -0.011 5.212 1.713 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.803 5.241 2.934 1.00 1.00 C ATOM 170 NE2 HIS A 10 -0.602 5.810 2.820 1.00 1.00 N ATOM 0 H HIS A 10 0.415 5.274 -1.218 1.00 1.00 H new ATOM 0 HA HIS A 10 1.343 3.010 0.393 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.375 3.721 -0.823 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.109 2.368 0.259 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -2.849 3.755 1.853 1.00 1.00 H new ATOM 0 HD2 HIS A 10 0.974 5.440 1.332 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -2.521 5.488 3.702 1.00 1.00 H new ATOM 179 N LEU A 11 1.095 2.633 -2.771 1.00 1.00 N ATOM 180 CA LEU A 11 1.239 1.611 -3.859 1.00 1.00 C ATOM 181 C LEU A 11 2.584 1.782 -4.564 1.00 1.00 C ATOM 182 O LEU A 11 3.125 2.867 -4.638 1.00 1.00 O ATOM 183 CB LEU A 11 0.111 1.794 -4.883 1.00 1.00 C ATOM 184 CG LEU A 11 -1.043 0.838 -4.574 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.691 1.217 -3.239 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.086 0.931 -5.686 1.00 1.00 C ATOM 0 H LEU A 11 1.194 3.604 -3.067 1.00 1.00 H new ATOM 0 HA LEU A 11 1.186 0.615 -3.419 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.245 2.824 -4.863 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.489 1.607 -5.888 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.659 -0.180 -4.510 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.512 0.532 -3.026 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.949 1.153 -2.443 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.074 2.236 -3.297 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.910 0.251 -5.470 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.464 1.952 -5.746 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.629 0.657 -6.637 1.00 1.00 H new ATOM 198 N THR A 12 3.116 0.712 -5.096 1.00 1.00 N ATOM 199 CA THR A 12 4.420 0.804 -5.819 1.00 1.00 C ATOM 200 C THR A 12 4.303 0.070 -7.156 1.00 1.00 C ATOM 201 O THR A 12 3.217 -0.231 -7.611 1.00 1.00 O ATOM 202 CB THR A 12 5.539 0.180 -4.978 1.00 1.00 C ATOM 203 OG1 THR A 12 6.703 0.051 -5.781 1.00 1.00 O ATOM 204 CG2 THR A 12 5.117 -1.204 -4.463 1.00 1.00 C ATOM 0 H THR A 12 2.704 -0.221 -5.061 1.00 1.00 H new ATOM 0 HA THR A 12 4.662 1.852 -5.994 1.00 1.00 H new ATOM 0 HB THR A 12 5.743 0.823 -4.122 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.371 0.710 -5.497 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.924 -1.632 -3.868 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.224 -1.106 -3.846 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.904 -1.858 -5.309 1.00 1.00 H new ATOM 212 N ASP A 13 5.408 -0.206 -7.803 1.00 1.00 N ATOM 213 CA ASP A 13 5.350 -0.903 -9.124 1.00 1.00 C ATOM 214 C ASP A 13 6.108 -2.233 -9.071 1.00 1.00 C ATOM 215 O ASP A 13 6.393 -2.826 -10.092 1.00 1.00 O ATOM 216 CB ASP A 13 5.982 -0.008 -10.191 1.00 1.00 C ATOM 217 CG ASP A 13 7.357 0.462 -9.714 1.00 1.00 C ATOM 218 OD1 ASP A 13 8.027 -0.310 -9.049 1.00 1.00 O ATOM 219 OD2 ASP A 13 7.716 1.588 -10.020 1.00 1.00 O ATOM 0 H ASP A 13 6.346 0.021 -7.474 1.00 1.00 H new ATOM 0 HA ASP A 13 4.307 -1.105 -9.367 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.078 -0.555 -11.129 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.340 0.851 -10.387 1.00 1.00 H new ATOM 224 N THR A 14 6.444 -2.717 -7.904 1.00 1.00 N ATOM 225 CA THR A 14 7.184 -4.012 -7.839 1.00 1.00 C ATOM 226 C THR A 14 6.959 -4.681 -6.482 1.00 1.00 C ATOM 227 O THR A 14 6.697 -4.030 -5.491 1.00 1.00 O ATOM 228 CB THR A 14 8.678 -3.753 -8.037 1.00 1.00 C ATOM 229 OG1 THR A 14 9.376 -4.991 -8.036 1.00 1.00 O ATOM 230 CG2 THR A 14 9.198 -2.871 -6.904 1.00 1.00 C ATOM 0 H THR A 14 6.242 -2.279 -7.005 1.00 1.00 H new ATOM 0 HA THR A 14 6.816 -4.672 -8.625 1.00 1.00 H new ATOM 0 HB THR A 14 8.837 -3.247 -8.990 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.334 -4.827 -8.165 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.263 -2.687 -7.046 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.662 -1.922 -6.907 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.041 -3.374 -5.950 1.00 1.00 H new ATOM 238 N LYS A 15 7.066 -5.981 -6.435 1.00 1.00 N ATOM 239 CA LYS A 15 6.868 -6.703 -5.147 1.00 1.00 C ATOM 240 C LYS A 15 8.087 -6.473 -4.251 1.00 1.00 C ATOM 241 O LYS A 15 8.033 -6.655 -3.051 1.00 1.00 O ATOM 242 CB LYS A 15 6.707 -8.200 -5.424 1.00 1.00 C ATOM 243 CG LYS A 15 7.649 -8.613 -6.559 1.00 1.00 C ATOM 244 CD LYS A 15 7.816 -10.136 -6.570 1.00 1.00 C ATOM 245 CE LYS A 15 6.509 -10.799 -7.011 1.00 1.00 C ATOM 246 NZ LYS A 15 6.049 -10.194 -8.293 1.00 1.00 N ATOM 0 H LYS A 15 7.283 -6.575 -7.235 1.00 1.00 H new ATOM 0 HA LYS A 15 5.973 -6.331 -4.648 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.931 -8.773 -4.524 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.675 -8.422 -5.695 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.250 -8.275 -7.515 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.619 -8.133 -6.431 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.623 -10.417 -7.246 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.095 -10.487 -5.577 1.00 1.00 H new ATOM 0 HE2 LYS A 15 6.658 -11.872 -7.136 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.747 -10.670 -6.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.422 -10.861 -8.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.531 -9.314 -8.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 6.872 -9.984 -8.893 1.00 1.00 H new ATOM 260 N LYS A 16 9.187 -6.071 -4.831 1.00 1.00 N ATOM 261 CA LYS A 16 10.422 -5.819 -4.030 1.00 1.00 C ATOM 262 C LYS A 16 10.850 -4.363 -4.219 1.00 1.00 C ATOM 263 O LYS A 16 11.878 -4.076 -4.798 1.00 1.00 O ATOM 264 CB LYS A 16 11.539 -6.746 -4.517 1.00 1.00 C ATOM 265 CG LYS A 16 11.097 -8.208 -4.366 1.00 1.00 C ATOM 266 CD LYS A 16 11.857 -9.079 -5.368 1.00 1.00 C ATOM 267 CE LYS A 16 11.674 -10.554 -5.005 1.00 1.00 C ATOM 268 NZ LYS A 16 12.480 -10.872 -3.793 1.00 1.00 N ATOM 0 H LYS A 16 9.284 -5.905 -5.833 1.00 1.00 H new ATOM 0 HA LYS A 16 10.225 -6.011 -2.975 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.774 -6.532 -5.560 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.448 -6.569 -3.943 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.288 -8.553 -3.350 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.024 -8.293 -4.535 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.491 -8.894 -6.378 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.916 -8.821 -5.361 1.00 1.00 H new ATOM 0 HE2 LYS A 16 10.621 -10.766 -4.820 1.00 1.00 H new ATOM 0 HE3 LYS A 16 11.985 -11.185 -5.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.664 -11.895 -3.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.384 -10.359 -3.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 11.956 -10.585 -2.942 1.00 1.00 H new ATOM 282 N VAL A 17 10.060 -3.439 -3.742 1.00 1.00 N ATOM 283 CA VAL A 17 10.410 -2.000 -3.901 1.00 1.00 C ATOM 284 C VAL A 17 11.824 -1.747 -3.407 1.00 1.00 C ATOM 285 O VAL A 17 12.466 -2.609 -2.842 1.00 1.00 O ATOM 286 CB VAL A 17 9.454 -1.140 -3.078 1.00 1.00 C ATOM 287 CG1 VAL A 17 8.029 -1.367 -3.562 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.563 -1.529 -1.600 1.00 1.00 C ATOM 0 H VAL A 17 9.186 -3.620 -3.248 1.00 1.00 H new ATOM 0 HA VAL A 17 10.334 -1.743 -4.958 1.00 1.00 H new ATOM 0 HB VAL A 17 9.714 -0.088 -3.195 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.344 -0.754 -2.976 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.954 -1.091 -4.614 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.767 -2.418 -3.443 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.881 -0.916 -1.011 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.301 -2.580 -1.480 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.585 -1.368 -1.256 1.00 1.00 H new ATOM 298 N LYS A 18 12.299 -0.553 -3.601 1.00 1.00 N ATOM 299 CA LYS A 18 13.662 -0.208 -3.129 1.00 1.00 C ATOM 300 C LYS A 18 13.526 0.542 -1.808 1.00 1.00 C ATOM 301 O LYS A 18 13.806 1.717 -1.718 1.00 1.00 O ATOM 302 CB LYS A 18 14.363 0.677 -4.165 1.00 1.00 C ATOM 303 CG LYS A 18 13.343 1.631 -4.796 1.00 1.00 C ATOM 304 CD LYS A 18 14.056 2.609 -5.739 1.00 1.00 C ATOM 305 CE LYS A 18 14.277 1.949 -7.103 1.00 1.00 C ATOM 306 NZ LYS A 18 12.967 1.521 -7.669 1.00 1.00 N ATOM 0 H LYS A 18 11.798 0.203 -4.069 1.00 1.00 H new ATOM 0 HA LYS A 18 14.256 -1.111 -2.991 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.164 1.245 -3.691 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.823 0.058 -4.935 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.593 1.063 -5.346 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.817 2.182 -4.017 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.461 3.515 -5.856 1.00 1.00 H new ATOM 0 HD3 LYS A 18 15.013 2.909 -5.311 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.767 2.648 -7.781 1.00 1.00 H new ATOM 0 HE3 LYS A 18 14.938 1.089 -6.999 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 13.010 1.556 -8.708 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 12.758 0.549 -7.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.218 2.159 -7.332 1.00 1.00 H new ATOM 320 N CYS A 19 13.067 -0.137 -0.791 1.00 1.00 N ATOM 321 CA CYS A 19 12.870 0.505 0.543 1.00 1.00 C ATOM 322 C CYS A 19 13.867 1.651 0.765 1.00 1.00 C ATOM 323 O CYS A 19 13.511 2.708 1.252 1.00 1.00 O ATOM 324 CB CYS A 19 13.067 -0.549 1.633 1.00 1.00 C ATOM 325 SG CYS A 19 11.617 -1.628 1.687 1.00 1.00 S ATOM 0 H CYS A 19 12.816 -1.125 -0.828 1.00 1.00 H new ATOM 0 HA CYS A 19 11.862 0.918 0.583 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.964 -1.135 1.431 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.212 -0.067 2.600 1.00 1.00 H new ATOM 330 N ASP A 20 15.111 1.451 0.417 1.00 1.00 N ATOM 331 CA ASP A 20 16.127 2.526 0.618 1.00 1.00 C ATOM 332 C ASP A 20 15.564 3.857 0.122 1.00 1.00 C ATOM 333 O ASP A 20 15.714 4.885 0.753 1.00 1.00 O ATOM 334 CB ASP A 20 17.395 2.180 -0.165 1.00 1.00 C ATOM 335 CG ASP A 20 18.377 3.351 -0.095 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.749 3.722 1.006 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.740 3.858 -1.144 1.00 1.00 O ATOM 0 H ASP A 20 15.467 0.590 0.002 1.00 1.00 H new ATOM 0 HA ASP A 20 16.367 2.608 1.678 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.855 1.282 0.247 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.145 1.963 -1.204 1.00 1.00 H new ATOM 342 N VAL A 21 14.904 3.837 -1.000 1.00 1.00 N ATOM 343 CA VAL A 21 14.310 5.085 -1.551 1.00 1.00 C ATOM 344 C VAL A 21 12.806 5.090 -1.262 1.00 1.00 C ATOM 345 O VAL A 21 12.218 6.121 -1.005 1.00 1.00 O ATOM 346 CB VAL A 21 14.549 5.125 -3.064 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.518 6.572 -3.564 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.916 4.511 -3.376 1.00 1.00 C ATOM 0 H VAL A 21 14.749 3.002 -1.564 1.00 1.00 H new ATOM 0 HA VAL A 21 14.770 5.958 -1.089 1.00 1.00 H new ATOM 0 HB VAL A 21 13.764 4.558 -3.564 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.689 6.589 -4.640 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.545 7.012 -3.344 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.298 7.147 -3.064 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.090 4.538 -4.452 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.695 5.080 -2.868 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.938 3.477 -3.030 1.00 1.00 H new ATOM 358 N GLU A 22 12.181 3.940 -1.281 1.00 1.00 N ATOM 359 CA GLU A 22 10.719 3.884 -0.991 1.00 1.00 C ATOM 360 C GLU A 22 10.466 4.535 0.371 1.00 1.00 C ATOM 361 O GLU A 22 9.339 4.721 0.787 1.00 1.00 O ATOM 362 CB GLU A 22 10.252 2.419 -0.968 1.00 1.00 C ATOM 363 CG GLU A 22 8.984 2.264 -1.812 1.00 1.00 C ATOM 364 CD GLU A 22 9.323 2.480 -3.288 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.500 2.572 -3.598 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.401 2.551 -4.084 1.00 1.00 O ATOM 0 H GLU A 22 12.619 3.042 -1.484 1.00 1.00 H new ATOM 0 HA GLU A 22 10.163 4.416 -1.763 1.00 1.00 H new ATOM 0 HB2 GLU A 22 11.039 1.771 -1.355 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.057 2.106 0.058 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.557 1.271 -1.668 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.231 2.984 -1.492 1.00 1.00 H new ATOM 373 N MET A 23 11.519 4.880 1.061 1.00 1.00 N ATOM 374 CA MET A 23 11.378 5.524 2.401 1.00 1.00 C ATOM 375 C MET A 23 12.225 6.797 2.438 1.00 1.00 C ATOM 376 O MET A 23 11.782 7.837 2.882 1.00 1.00 O ATOM 377 CB MET A 23 11.877 4.566 3.484 1.00 1.00 C ATOM 378 CG MET A 23 10.898 3.401 3.647 1.00 1.00 C ATOM 379 SD MET A 23 11.151 2.630 5.267 1.00 1.00 S ATOM 380 CE MET A 23 10.522 3.992 6.282 1.00 1.00 C ATOM 0 H MET A 23 12.481 4.742 0.751 1.00 1.00 H new ATOM 0 HA MET A 23 10.330 5.766 2.578 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.864 4.187 3.219 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.983 5.097 4.430 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.872 3.758 3.557 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.051 2.668 2.855 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.012 3.588 7.157 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.353 4.620 6.604 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.822 4.589 5.697 1.00 1.00 H new ATOM 390 N ALA A 24 13.444 6.722 1.978 1.00 1.00 N ATOM 391 CA ALA A 24 14.318 7.926 1.992 1.00 1.00 C ATOM 392 C ALA A 24 13.808 8.933 0.958 1.00 1.00 C ATOM 393 O ALA A 24 14.424 9.950 0.711 1.00 1.00 O ATOM 394 CB ALA A 24 15.752 7.517 1.652 1.00 1.00 C ATOM 0 H ALA A 24 13.871 5.879 1.594 1.00 1.00 H new ATOM 0 HA ALA A 24 14.299 8.383 2.981 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.394 8.398 1.662 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.110 6.799 2.390 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.776 7.062 0.662 1.00 1.00 H new ATOM 400 N LYS A 25 12.685 8.653 0.354 1.00 1.00 N ATOM 401 CA LYS A 25 12.123 9.589 -0.663 1.00 1.00 C ATOM 402 C LYS A 25 12.058 11.002 -0.077 1.00 1.00 C ATOM 403 O LYS A 25 12.559 11.269 0.997 1.00 1.00 O ATOM 404 CB LYS A 25 10.701 9.142 -1.033 1.00 1.00 C ATOM 405 CG LYS A 25 10.731 8.216 -2.260 1.00 1.00 C ATOM 406 CD LYS A 25 9.743 7.067 -2.058 1.00 1.00 C ATOM 407 CE LYS A 25 8.314 7.611 -2.087 1.00 1.00 C ATOM 408 NZ LYS A 25 8.010 8.137 -3.448 1.00 1.00 N ATOM 0 H LYS A 25 12.130 7.814 0.521 1.00 1.00 H new ATOM 0 HA LYS A 25 12.759 9.584 -1.548 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.245 8.623 -0.190 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.082 10.014 -1.243 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.473 8.777 -3.158 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.737 7.823 -2.407 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.874 6.319 -2.840 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.935 6.571 -1.107 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.608 6.823 -1.824 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.200 8.402 -1.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.983 8.111 -3.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.347 9.118 -3.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.487 7.550 -4.162 1.00 1.00 H new ATOM 422 N ALA A 26 11.423 11.904 -0.776 1.00 1.00 N ATOM 423 CA ALA A 26 11.300 13.297 -0.268 1.00 1.00 C ATOM 424 C ALA A 26 9.933 13.468 0.397 1.00 1.00 C ATOM 425 O ALA A 26 9.694 14.430 1.101 1.00 1.00 O ATOM 426 CB ALA A 26 11.423 14.276 -1.435 1.00 1.00 C ATOM 0 H ALA A 26 10.983 11.733 -1.680 1.00 1.00 H new ATOM 0 HA ALA A 26 12.090 13.496 0.457 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.333 15.297 -1.064 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.393 14.149 -1.916 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.631 14.081 -2.158 1.00 1.00 H new ATOM 432 N LEU A 27 9.031 12.542 0.182 1.00 1.00 N ATOM 433 CA LEU A 27 7.680 12.658 0.809 1.00 1.00 C ATOM 434 C LEU A 27 7.628 11.790 2.067 1.00 1.00 C ATOM 435 O LEU A 27 6.634 11.751 2.765 1.00 1.00 O ATOM 436 CB LEU A 27 6.605 12.205 -0.188 1.00 1.00 C ATOM 437 CG LEU A 27 6.703 10.685 -0.432 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.624 9.951 0.374 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.497 10.389 -1.924 1.00 1.00 C ATOM 0 H LEU A 27 9.172 11.715 -0.398 1.00 1.00 H new ATOM 0 HA LEU A 27 7.492 13.697 1.082 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.616 12.455 0.196 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.726 12.739 -1.130 1.00 1.00 H new ATOM 0 HG LEU A 27 7.688 10.342 -0.117 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.702 8.879 0.194 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.763 10.152 1.436 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.639 10.300 0.065 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.567 9.315 -2.095 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.513 10.743 -2.233 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.265 10.899 -2.506 1.00 1.00 H new ATOM 451 N PHE A 28 8.701 11.105 2.368 1.00 1.00 N ATOM 452 CA PHE A 28 8.734 10.245 3.591 1.00 1.00 C ATOM 453 C PHE A 28 9.802 10.778 4.551 1.00 1.00 C ATOM 454 O PHE A 28 9.632 10.765 5.751 1.00 1.00 O ATOM 455 CB PHE A 28 9.081 8.801 3.199 1.00 1.00 C ATOM 456 CG PHE A 28 7.821 8.034 2.863 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.830 7.851 3.837 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.644 7.502 1.580 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.666 7.138 3.527 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.480 6.788 1.271 1.00 1.00 C ATOM 461 CZ PHE A 28 5.491 6.606 2.244 1.00 1.00 C ATOM 0 H PHE A 28 9.560 11.104 1.818 1.00 1.00 H new ATOM 0 HA PHE A 28 7.757 10.264 4.075 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.755 8.801 2.342 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.607 8.310 4.018 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.965 8.260 4.827 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.406 7.643 0.828 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.903 6.998 4.278 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.345 6.377 0.281 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.593 6.055 2.005 1.00 1.00 H new ATOM 471 N ASP A 29 10.900 11.250 4.030 1.00 1.00 N ATOM 472 CA ASP A 29 11.979 11.786 4.910 1.00 1.00 C ATOM 473 C ASP A 29 12.662 10.634 5.655 1.00 1.00 C ATOM 474 O ASP A 29 13.065 10.773 6.792 1.00 1.00 O ATOM 475 CB ASP A 29 11.382 12.774 5.919 1.00 1.00 C ATOM 476 CG ASP A 29 10.210 13.518 5.277 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.414 14.114 4.232 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.128 13.477 5.840 1.00 1.00 O ATOM 0 H ASP A 29 11.098 11.288 3.030 1.00 1.00 H new ATOM 0 HA ASP A 29 12.717 12.302 4.296 1.00 1.00 H new ATOM 0 HB2 ASP A 29 11.045 12.242 6.808 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.143 13.484 6.242 1.00 1.00 H new ATOM 483 N CYS A 30 12.804 9.503 5.020 1.00 1.00 N ATOM 484 CA CYS A 30 13.474 8.346 5.685 1.00 1.00 C ATOM 485 C CYS A 30 12.804 8.048 7.033 1.00 1.00 C ATOM 486 O CYS A 30 13.391 8.236 8.079 1.00 1.00 O ATOM 487 CB CYS A 30 14.949 8.689 5.913 1.00 1.00 C ATOM 488 SG CYS A 30 15.803 7.262 6.627 1.00 1.00 S ATOM 0 H CYS A 30 12.485 9.328 4.067 1.00 1.00 H new ATOM 0 HA CYS A 30 13.389 7.466 5.048 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.417 8.971 4.970 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.034 9.547 6.580 1.00 1.00 H new ATOM 493 N LYS A 31 11.584 7.578 7.017 1.00 1.00 N ATOM 494 CA LYS A 31 10.890 7.264 8.302 1.00 1.00 C ATOM 495 C LYS A 31 11.561 6.059 8.968 1.00 1.00 C ATOM 496 O LYS A 31 12.770 5.931 8.974 1.00 1.00 O ATOM 497 CB LYS A 31 9.421 6.919 8.031 1.00 1.00 C ATOM 498 CG LYS A 31 8.766 7.993 7.154 1.00 1.00 C ATOM 499 CD LYS A 31 8.786 9.362 7.849 1.00 1.00 C ATOM 500 CE LYS A 31 8.225 9.252 9.271 1.00 1.00 C ATOM 501 NZ LYS A 31 7.054 8.328 9.277 1.00 1.00 N ATOM 0 H LYS A 31 11.040 7.398 6.173 1.00 1.00 H new ATOM 0 HA LYS A 31 10.950 8.134 8.956 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.355 5.949 7.538 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.882 6.834 8.975 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.290 8.058 6.201 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.737 7.709 6.933 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.806 9.744 7.883 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.197 10.077 7.274 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.995 8.884 9.949 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.926 10.236 9.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.374 8.634 10.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.595 8.343 8.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.375 7.362 9.489 1.00 1.00 H new ATOM 515 N LYS A 32 10.776 5.176 9.530 1.00 1.00 N ATOM 516 CA LYS A 32 11.338 3.968 10.203 1.00 1.00 C ATOM 517 C LYS A 32 10.542 2.737 9.753 1.00 1.00 C ATOM 518 O LYS A 32 11.074 1.654 9.622 1.00 1.00 O ATOM 519 CB LYS A 32 11.222 4.146 11.724 1.00 1.00 C ATOM 520 CG LYS A 32 11.117 2.779 12.409 1.00 1.00 C ATOM 521 CD LYS A 32 11.459 2.921 13.894 1.00 1.00 C ATOM 522 CE LYS A 32 11.318 1.563 14.583 1.00 1.00 C ATOM 523 NZ LYS A 32 11.392 1.745 16.060 1.00 1.00 N ATOM 0 H LYS A 32 9.758 5.242 9.551 1.00 1.00 H new ATOM 0 HA LYS A 32 12.387 3.836 9.937 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.091 4.685 12.102 1.00 1.00 H new ATOM 0 HB3 LYS A 32 10.345 4.748 11.961 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.109 2.380 12.294 1.00 1.00 H new ATOM 0 HG3 LYS A 32 11.796 2.070 11.935 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.476 3.295 14.009 1.00 1.00 H new ATOM 0 HD3 LYS A 32 10.796 3.649 14.363 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.369 1.102 14.310 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.108 0.890 14.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 11.296 0.822 16.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 12.308 2.168 16.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 10.623 2.373 16.371 1.00 1.00 H new ATOM 537 N THR A 33 9.268 2.904 9.511 1.00 1.00 N ATOM 538 CA THR A 33 8.423 1.757 9.060 1.00 1.00 C ATOM 539 C THR A 33 7.626 2.190 7.829 1.00 1.00 C ATOM 540 O THR A 33 7.181 3.316 7.737 1.00 1.00 O ATOM 541 CB THR A 33 7.460 1.359 10.181 1.00 1.00 C ATOM 542 OG1 THR A 33 8.197 1.116 11.371 1.00 1.00 O ATOM 543 CG2 THR A 33 6.702 0.093 9.780 1.00 1.00 C ATOM 0 H THR A 33 8.773 3.791 9.607 1.00 1.00 H new ATOM 0 HA THR A 33 9.054 0.904 8.813 1.00 1.00 H new ATOM 0 HB THR A 33 6.748 2.166 10.353 1.00 1.00 H new ATOM 0 HG1 THR A 33 7.582 0.863 12.091 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.017 -0.189 10.579 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.137 0.281 8.867 1.00 1.00 H new ATOM 0 HG23 THR A 33 7.411 -0.716 9.608 1.00 1.00 H new ATOM 551 N ASN A 34 7.445 1.316 6.876 1.00 1.00 N ATOM 552 CA ASN A 34 6.684 1.707 5.655 1.00 1.00 C ATOM 553 C ASN A 34 6.019 0.479 5.030 1.00 1.00 C ATOM 554 O ASN A 34 6.534 -0.620 5.088 1.00 1.00 O ATOM 555 CB ASN A 34 7.649 2.330 4.642 1.00 1.00 C ATOM 556 CG ASN A 34 6.921 3.393 3.814 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.620 3.357 3.725 1.00 1.00 O flip ATOM 558 ND2 ASN A 34 7.545 4.266 3.242 1.00 1.00 N flip ATOM 0 H ASN A 34 7.788 0.356 6.889 1.00 1.00 H new ATOM 0 HA ASN A 34 5.912 2.426 5.929 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.496 2.778 5.162 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.050 1.557 3.986 1.00 1.00 H new ATOM 0 HD21 ASN A 34 8.562 4.295 3.311 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.051 4.970 2.693 1.00 1.00 H new ATOM 565 N THR A 35 4.880 0.669 4.423 1.00 1.00 N ATOM 566 CA THR A 35 4.167 -0.469 3.776 1.00 1.00 C ATOM 567 C THR A 35 3.568 0.008 2.452 1.00 1.00 C ATOM 568 O THR A 35 3.272 1.175 2.281 1.00 1.00 O ATOM 569 CB THR A 35 3.048 -0.961 4.697 1.00 1.00 C ATOM 570 OG1 THR A 35 3.598 -1.324 5.955 1.00 1.00 O ATOM 571 CG2 THR A 35 2.365 -2.177 4.067 1.00 1.00 C ATOM 0 H THR A 35 4.409 1.571 4.347 1.00 1.00 H new ATOM 0 HA THR A 35 4.865 -1.286 3.592 1.00 1.00 H new ATOM 0 HB THR A 35 2.315 -0.166 4.836 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.882 -1.638 6.547 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.568 -2.527 4.723 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.944 -1.898 3.101 1.00 1.00 H new ATOM 0 HG23 THR A 35 3.096 -2.973 3.927 1.00 1.00 H new ATOM 579 N PHE A 36 3.369 -0.882 1.519 1.00 1.00 N ATOM 580 CA PHE A 36 2.768 -0.470 0.214 1.00 1.00 C ATOM 581 C PHE A 36 2.014 -1.667 -0.363 1.00 1.00 C ATOM 582 O PHE A 36 2.022 -2.734 0.208 1.00 1.00 O ATOM 583 CB PHE A 36 3.853 -0.024 -0.782 1.00 1.00 C ATOM 584 CG PHE A 36 5.099 0.433 -0.059 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.866 -0.485 0.662 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.501 1.774 -0.133 1.00 1.00 C ATOM 587 CE1 PHE A 36 7.031 -0.068 1.313 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.669 2.191 0.513 1.00 1.00 C ATOM 589 CZ PHE A 36 7.434 1.270 1.237 1.00 1.00 C ATOM 0 H PHE A 36 3.595 -1.873 1.601 1.00 1.00 H new ATOM 0 HA PHE A 36 2.096 0.372 0.380 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.099 -0.849 -1.451 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.471 0.786 -1.403 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.559 -1.519 0.717 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.908 2.485 -0.689 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.620 -0.778 1.874 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.980 3.223 0.453 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.336 1.592 1.737 1.00 1.00 H new ATOM 599 N ILE A 37 1.355 -1.500 -1.484 1.00 1.00 N ATOM 600 CA ILE A 37 0.595 -2.634 -2.084 1.00 1.00 C ATOM 601 C ILE A 37 1.059 -2.862 -3.522 1.00 1.00 C ATOM 602 O ILE A 37 1.221 -1.929 -4.293 1.00 1.00 O ATOM 603 CB ILE A 37 -0.902 -2.301 -2.067 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.350 -1.978 -0.625 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.695 -3.500 -2.595 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.463 -0.921 -0.634 1.00 1.00 C ATOM 0 H ILE A 37 1.312 -0.626 -2.008 1.00 1.00 H new ATOM 0 HA ILE A 37 0.773 -3.541 -1.506 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.086 -1.434 -2.701 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.705 -2.885 -0.136 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.500 -1.616 -0.046 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.759 -3.266 -2.584 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.383 -3.722 -3.616 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.508 -4.367 -1.962 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.768 -0.705 0.390 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.095 -0.009 -1.104 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.318 -1.298 -1.195 1.00 1.00 H new ATOM 618 N TYR A 38 1.277 -4.101 -3.891 1.00 1.00 N ATOM 619 CA TYR A 38 1.726 -4.397 -5.284 1.00 1.00 C ATOM 620 C TYR A 38 0.508 -4.768 -6.134 1.00 1.00 C ATOM 621 O TYR A 38 0.043 -5.890 -6.113 1.00 1.00 O ATOM 622 CB TYR A 38 2.710 -5.571 -5.272 1.00 1.00 C ATOM 623 CG TYR A 38 3.107 -5.910 -6.691 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.770 -4.961 -7.479 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.810 -7.173 -7.220 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.136 -5.275 -8.794 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.176 -7.486 -8.533 1.00 1.00 C ATOM 628 CZ TYR A 38 3.839 -6.538 -9.321 1.00 1.00 C ATOM 629 OH TYR A 38 4.199 -6.846 -10.617 1.00 1.00 O ATOM 0 H TYR A 38 1.163 -4.916 -3.289 1.00 1.00 H new ATOM 0 HA TYR A 38 2.218 -3.519 -5.702 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.593 -5.313 -4.688 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.253 -6.438 -4.794 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.999 -3.987 -7.073 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.298 -7.905 -6.613 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.647 -4.543 -9.402 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.947 -8.460 -8.939 1.00 1.00 H new ATOM 0 HH TYR A 38 3.920 -7.762 -10.825 1.00 1.00 H new ATOM 639 N ALA A 39 -0.015 -3.833 -6.883 1.00 1.00 N ATOM 640 CA ALA A 39 -1.204 -4.137 -7.730 1.00 1.00 C ATOM 641 C ALA A 39 -1.277 -3.141 -8.888 1.00 1.00 C ATOM 642 O ALA A 39 -0.721 -2.062 -8.827 1.00 1.00 O ATOM 643 CB ALA A 39 -2.474 -4.028 -6.884 1.00 1.00 C ATOM 0 H ALA A 39 0.329 -2.875 -6.944 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.116 -5.148 -8.127 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.343 -4.250 -7.503 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.424 -4.739 -6.059 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.561 -3.017 -6.486 1.00 1.00 H new ATOM 649 N LEU A 40 -1.957 -3.494 -9.948 1.00 1.00 N ATOM 650 CA LEU A 40 -2.063 -2.567 -11.111 1.00 1.00 C ATOM 651 C LEU A 40 -3.330 -1.706 -10.961 1.00 1.00 C ATOM 652 O LEU A 40 -4.317 -2.139 -10.400 1.00 1.00 O ATOM 653 CB LEU A 40 -2.078 -3.400 -12.410 1.00 1.00 C ATOM 654 CG LEU A 40 -3.511 -3.691 -12.882 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.957 -2.593 -13.848 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.545 -5.040 -13.609 1.00 1.00 C ATOM 0 H LEU A 40 -2.443 -4.384 -10.057 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.208 -1.892 -11.151 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.539 -2.865 -13.192 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.551 -4.340 -12.246 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.178 -3.721 -12.021 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.973 -2.796 -14.185 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.929 -1.629 -13.341 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.287 -2.571 -14.708 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.561 -5.247 -13.944 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.879 -5.006 -14.471 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.219 -5.828 -12.930 1.00 1.00 H new ATOM 668 N PRO A 41 -3.292 -0.486 -11.438 1.00 1.00 N ATOM 669 CA PRO A 41 -4.437 0.461 -11.338 1.00 1.00 C ATOM 670 C PRO A 41 -5.799 -0.226 -11.495 1.00 1.00 C ATOM 671 O PRO A 41 -6.665 -0.106 -10.653 1.00 1.00 O ATOM 672 CB PRO A 41 -4.202 1.428 -12.501 1.00 1.00 C ATOM 673 CG PRO A 41 -2.728 1.394 -12.782 1.00 1.00 C ATOM 674 CD PRO A 41 -2.149 0.130 -12.127 1.00 1.00 C ATOM 0 HA PRO A 41 -4.473 0.938 -10.358 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.773 1.127 -13.379 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.526 2.436 -12.241 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.545 1.384 -13.856 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -2.243 2.286 -12.384 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.725 -0.544 -12.871 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.350 0.376 -11.428 1.00 1.00 H new ATOM 682 N GLY A 42 -5.995 -0.931 -12.572 1.00 1.00 N ATOM 683 CA GLY A 42 -7.305 -1.612 -12.791 1.00 1.00 C ATOM 684 C GLY A 42 -7.677 -2.444 -11.560 1.00 1.00 C ATOM 685 O GLY A 42 -8.764 -2.338 -11.037 1.00 1.00 O ATOM 0 H GLY A 42 -5.306 -1.067 -13.312 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.080 -0.872 -12.987 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.248 -2.254 -13.670 1.00 1.00 H new ATOM 689 N ARG A 43 -6.782 -3.273 -11.101 1.00 1.00 N ATOM 690 CA ARG A 43 -7.077 -4.121 -9.911 1.00 1.00 C ATOM 691 C ARG A 43 -7.326 -3.240 -8.681 1.00 1.00 C ATOM 692 O ARG A 43 -8.069 -3.603 -7.790 1.00 1.00 O ATOM 693 CB ARG A 43 -5.885 -5.042 -9.639 1.00 1.00 C ATOM 694 CG ARG A 43 -5.835 -6.140 -10.702 1.00 1.00 C ATOM 695 CD ARG A 43 -4.748 -7.154 -10.339 1.00 1.00 C ATOM 696 NE ARG A 43 -5.142 -7.881 -9.099 1.00 1.00 N ATOM 697 CZ ARG A 43 -6.033 -8.833 -9.157 1.00 1.00 C ATOM 698 NH1 ARG A 43 -6.578 -9.149 -10.299 1.00 1.00 N ATOM 699 NH2 ARG A 43 -6.378 -9.471 -8.071 1.00 1.00 N ATOM 0 H ARG A 43 -5.853 -3.401 -11.501 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.969 -4.715 -10.110 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -4.958 -4.468 -9.650 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.973 -5.485 -8.647 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.802 -6.637 -10.772 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -5.629 -5.705 -11.680 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.606 -7.860 -11.158 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -3.796 -6.645 -10.188 1.00 1.00 H new ATOM 0 HE ARG A 43 -4.716 -7.635 -8.206 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -6.308 -8.652 -11.148 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -7.274 -9.893 -10.343 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -5.951 -9.225 -7.178 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -7.074 -10.215 -8.116 1.00 1.00 H new ATOM 713 N VAL A 44 -6.708 -2.091 -8.617 1.00 1.00 N ATOM 714 CA VAL A 44 -6.911 -1.209 -7.433 1.00 1.00 C ATOM 715 C VAL A 44 -8.267 -0.513 -7.535 1.00 1.00 C ATOM 716 O VAL A 44 -9.111 -0.649 -6.672 1.00 1.00 O ATOM 717 CB VAL A 44 -5.801 -0.158 -7.382 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.958 0.688 -6.115 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.440 -0.858 -7.364 1.00 1.00 C ATOM 0 H VAL A 44 -6.075 -1.727 -9.329 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.883 -1.813 -6.526 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.867 0.486 -8.259 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.167 1.437 -6.078 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.928 1.184 -6.127 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.890 0.045 -5.237 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.647 -0.111 -7.328 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.373 -1.501 -6.486 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.329 -1.461 -8.265 1.00 1.00 H new ATOM 729 N LYS A 45 -8.492 0.225 -8.586 1.00 1.00 N ATOM 730 CA LYS A 45 -9.804 0.912 -8.736 1.00 1.00 C ATOM 731 C LYS A 45 -10.898 -0.150 -8.808 1.00 1.00 C ATOM 732 O LYS A 45 -12.060 0.113 -8.569 1.00 1.00 O ATOM 733 CB LYS A 45 -9.807 1.750 -10.018 1.00 1.00 C ATOM 734 CG LYS A 45 -9.767 0.826 -11.236 1.00 1.00 C ATOM 735 CD LYS A 45 -9.374 1.630 -12.477 1.00 1.00 C ATOM 736 CE LYS A 45 -10.335 2.809 -12.649 1.00 1.00 C ATOM 737 NZ LYS A 45 -11.733 2.348 -12.416 1.00 1.00 N ATOM 0 H LYS A 45 -7.828 0.381 -9.344 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.980 1.573 -7.887 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.699 2.376 -10.053 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.947 2.420 -10.029 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -9.052 0.020 -11.071 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.742 0.361 -11.385 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.351 1.993 -12.379 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -9.403 0.992 -13.360 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.081 3.604 -11.948 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.240 3.226 -13.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -12.396 3.003 -12.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.855 1.395 -12.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.925 2.324 -11.394 1.00 1.00 H new ATOM 751 N ALA A 46 -10.523 -1.356 -9.132 1.00 1.00 N ATOM 752 CA ALA A 46 -11.514 -2.460 -9.223 1.00 1.00 C ATOM 753 C ALA A 46 -11.770 -3.017 -7.821 1.00 1.00 C ATOM 754 O ALA A 46 -12.817 -3.567 -7.540 1.00 1.00 O ATOM 755 CB ALA A 46 -10.950 -3.567 -10.117 1.00 1.00 C ATOM 0 H ALA A 46 -9.561 -1.625 -9.340 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.448 -2.089 -9.646 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.672 -4.380 -10.188 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.755 -3.167 -11.112 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.021 -3.943 -9.688 1.00 1.00 H new ATOM 761 N LEU A 47 -10.816 -2.881 -6.941 1.00 1.00 N ATOM 762 CA LEU A 47 -10.993 -3.402 -5.555 1.00 1.00 C ATOM 763 C LEU A 47 -12.089 -2.603 -4.841 1.00 1.00 C ATOM 764 O LEU A 47 -12.567 -2.992 -3.794 1.00 1.00 O ATOM 765 CB LEU A 47 -9.665 -3.265 -4.792 1.00 1.00 C ATOM 766 CG LEU A 47 -9.436 -4.495 -3.909 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.086 -4.368 -3.200 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.550 -4.594 -2.863 1.00 1.00 C ATOM 0 H LEU A 47 -9.919 -2.430 -7.122 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.285 -4.451 -5.591 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -8.841 -3.156 -5.497 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -9.681 -2.365 -4.178 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.442 -5.391 -4.530 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.922 -5.243 -2.571 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.290 -4.300 -3.942 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.083 -3.471 -2.581 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -10.384 -5.470 -2.236 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.547 -3.698 -2.242 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.513 -4.684 -3.365 1.00 1.00 H new ATOM 780 N CYS A 48 -12.492 -1.489 -5.396 1.00 1.00 N ATOM 781 CA CYS A 48 -13.558 -0.672 -4.743 1.00 1.00 C ATOM 782 C CYS A 48 -14.536 -0.174 -5.805 1.00 1.00 C ATOM 783 O CYS A 48 -14.867 0.991 -5.854 1.00 1.00 O ATOM 784 CB CYS A 48 -12.930 0.531 -4.031 1.00 1.00 C ATOM 785 SG CYS A 48 -11.851 -0.054 -2.699 1.00 1.00 S ATOM 0 H CYS A 48 -12.130 -1.111 -6.271 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.085 -1.287 -4.014 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.359 1.130 -4.740 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.710 1.175 -3.626 1.00 1.00 H new ATOM 790 N LYS A 49 -14.998 -1.043 -6.663 1.00 1.00 N ATOM 791 CA LYS A 49 -15.950 -0.610 -7.726 1.00 1.00 C ATOM 792 C LYS A 49 -17.385 -0.946 -7.307 1.00 1.00 C ATOM 793 O LYS A 49 -17.622 -1.859 -6.541 1.00 1.00 O ATOM 794 CB LYS A 49 -15.611 -1.337 -9.029 1.00 1.00 C ATOM 795 CG LYS A 49 -15.944 -2.825 -8.893 1.00 1.00 C ATOM 796 CD LYS A 49 -15.329 -3.595 -10.064 1.00 1.00 C ATOM 797 CE LYS A 49 -15.946 -4.993 -10.138 1.00 1.00 C ATOM 798 NZ LYS A 49 -15.222 -5.801 -11.160 1.00 1.00 N ATOM 0 H LYS A 49 -14.757 -2.034 -6.674 1.00 1.00 H new ATOM 0 HA LYS A 49 -15.866 0.467 -7.873 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.174 -0.903 -9.856 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.554 -1.211 -9.262 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.559 -3.210 -7.949 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.025 -2.967 -8.878 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.504 -3.059 -10.997 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.249 -3.669 -9.937 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.887 -5.480 -9.165 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -17.003 -4.923 -10.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -15.641 -6.752 -11.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.300 -5.338 -12.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.219 -5.878 -10.895 1.00 1.00 H new ATOM 812 N ASN A 50 -18.343 -0.212 -7.809 1.00 1.00 N ATOM 813 CA ASN A 50 -19.767 -0.480 -7.455 1.00 1.00 C ATOM 814 C ASN A 50 -19.969 -0.343 -5.943 1.00 1.00 C ATOM 815 O ASN A 50 -21.067 -0.488 -5.443 1.00 1.00 O ATOM 816 CB ASN A 50 -20.148 -1.895 -7.893 1.00 1.00 C ATOM 817 CG ASN A 50 -19.645 -2.141 -9.317 1.00 1.00 C ATOM 818 OD1 ASN A 50 -19.236 -3.237 -9.648 1.00 1.00 O ATOM 819 ND2 ASN A 50 -19.659 -1.162 -10.179 1.00 1.00 N ATOM 0 H ASN A 50 -18.199 0.566 -8.453 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.400 0.244 -7.967 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.715 -2.627 -7.211 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -21.230 -2.021 -7.851 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -19.327 -1.316 -11.131 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -20.002 -0.243 -9.901 1.00 1.00 H new ATOM 826 N ILE A 51 -18.928 -0.064 -5.208 1.00 1.00 N ATOM 827 CA ILE A 51 -19.081 0.079 -3.732 1.00 1.00 C ATOM 828 C ILE A 51 -19.836 1.372 -3.424 1.00 1.00 C ATOM 829 O ILE A 51 -20.129 2.160 -4.300 1.00 1.00 O ATOM 830 CB ILE A 51 -17.698 0.121 -3.072 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.953 -1.193 -3.343 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.844 0.322 -1.561 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.788 -2.387 -2.864 1.00 1.00 C ATOM 0 H ILE A 51 -17.981 0.071 -5.563 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.640 -0.771 -3.340 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.132 0.953 -3.492 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.747 -1.289 -4.409 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.990 -1.185 -2.832 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.856 0.351 -1.101 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.362 1.261 -1.367 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.418 -0.503 -1.138 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -17.247 -3.312 -3.063 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.971 -2.297 -1.793 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.740 -2.402 -3.395 1.00 1.00 H new ATOM 845 N ARG A 52 -20.158 1.587 -2.180 1.00 1.00 N ATOM 846 CA ARG A 52 -20.902 2.822 -1.798 1.00 1.00 C ATOM 847 C ARG A 52 -19.911 3.933 -1.439 1.00 1.00 C ATOM 848 O ARG A 52 -18.744 3.868 -1.763 1.00 1.00 O ATOM 849 CB ARG A 52 -21.793 2.525 -0.590 1.00 1.00 C ATOM 850 CG ARG A 52 -22.486 1.174 -0.785 1.00 1.00 C ATOM 851 CD ARG A 52 -23.444 0.916 0.379 1.00 1.00 C ATOM 852 NE ARG A 52 -23.798 -0.530 0.420 1.00 1.00 N ATOM 853 CZ ARG A 52 -24.306 -1.049 1.504 1.00 1.00 C ATOM 854 NH1 ARG A 52 -24.507 -0.299 2.554 1.00 1.00 N ATOM 855 NH2 ARG A 52 -24.615 -2.316 1.538 1.00 1.00 N ATOM 0 H ARG A 52 -19.938 0.959 -1.407 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.518 3.146 -2.637 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.195 2.511 0.321 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.537 3.313 -0.471 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.033 1.167 -1.728 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -21.744 0.378 -0.842 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -22.980 1.214 1.319 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -24.345 1.519 0.263 1.00 1.00 H new ATOM 0 HE ARG A 52 -23.643 -1.116 -0.401 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -24.267 0.692 2.526 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -24.904 -0.704 3.402 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -24.459 -2.901 0.717 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -25.012 -2.722 2.386 1.00 1.00 H new ATOM 869 N ASP A 53 -20.376 4.954 -0.773 1.00 1.00 N ATOM 870 CA ASP A 53 -19.477 6.080 -0.385 1.00 1.00 C ATOM 871 C ASP A 53 -18.346 5.572 0.498 1.00 1.00 C ATOM 872 O ASP A 53 -17.870 4.463 0.359 1.00 1.00 O ATOM 873 CB ASP A 53 -20.285 7.128 0.383 1.00 1.00 C ATOM 874 CG ASP A 53 -21.585 7.421 -0.367 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.512 7.707 -1.551 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.633 7.355 0.255 1.00 1.00 O ATOM 0 H ASP A 53 -21.347 5.058 -0.478 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.052 6.522 -1.286 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.506 6.768 1.388 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -19.702 8.043 0.493 1.00 1.00 H new ATOM 881 N ASN A 54 -17.908 6.399 1.395 1.00 1.00 N ATOM 882 CA ASN A 54 -16.789 6.012 2.300 1.00 1.00 C ATOM 883 C ASN A 54 -17.220 4.847 3.191 1.00 1.00 C ATOM 884 O ASN A 54 -18.092 4.974 4.028 1.00 1.00 O ATOM 885 CB ASN A 54 -16.412 7.208 3.178 1.00 1.00 C ATOM 886 CG ASN A 54 -17.650 7.700 3.930 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.761 7.334 3.601 1.00 1.00 O ATOM 888 ND2 ASN A 54 -17.505 8.522 4.933 1.00 1.00 N ATOM 0 H ASN A 54 -18.278 7.338 1.546 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.931 5.708 1.701 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.634 6.922 3.885 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.005 8.010 2.563 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -18.324 8.857 5.440 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -16.573 8.830 5.210 1.00 1.00 H new ATOM 895 N THR A 55 -16.601 3.712 3.015 1.00 1.00 N ATOM 896 CA THR A 55 -16.946 2.523 3.843 1.00 1.00 C ATOM 897 C THR A 55 -15.725 1.605 3.917 1.00 1.00 C ATOM 898 O THR A 55 -14.811 1.713 3.124 1.00 1.00 O ATOM 899 CB THR A 55 -18.123 1.772 3.207 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.919 2.686 2.466 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.974 1.120 4.299 1.00 1.00 C ATOM 0 H THR A 55 -15.864 3.557 2.327 1.00 1.00 H new ATOM 0 HA THR A 55 -17.232 2.840 4.846 1.00 1.00 H new ATOM 0 HB THR A 55 -17.740 0.997 2.542 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.671 2.208 2.057 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.808 0.588 3.841 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.363 0.417 4.866 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.358 1.889 4.969 1.00 1.00 H new ATOM 909 N ASP A 56 -15.698 0.707 4.862 1.00 1.00 N ATOM 910 CA ASP A 56 -14.528 -0.211 4.988 1.00 1.00 C ATOM 911 C ASP A 56 -14.720 -1.428 4.081 1.00 1.00 C ATOM 912 O ASP A 56 -15.828 -1.852 3.819 1.00 1.00 O ATOM 913 CB ASP A 56 -14.403 -0.676 6.440 1.00 1.00 C ATOM 914 CG ASP A 56 -14.284 0.543 7.359 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.293 1.649 6.845 1.00 1.00 O ATOM 916 OD2 ASP A 56 -14.186 0.348 8.559 1.00 1.00 O ATOM 0 H ASP A 56 -16.435 0.568 5.553 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.623 0.319 4.691 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.273 -1.271 6.718 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.529 -1.317 6.554 1.00 1.00 H new ATOM 921 N VAL A 57 -13.643 -1.997 3.605 1.00 1.00 N ATOM 922 CA VAL A 57 -13.753 -3.192 2.719 1.00 1.00 C ATOM 923 C VAL A 57 -12.605 -4.159 3.030 1.00 1.00 C ATOM 924 O VAL A 57 -11.661 -3.813 3.710 1.00 1.00 O ATOM 925 CB VAL A 57 -13.686 -2.752 1.250 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.485 -1.459 1.074 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.228 -2.508 0.844 1.00 1.00 C ATOM 0 H VAL A 57 -12.690 -1.684 3.793 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.704 -3.694 2.895 1.00 1.00 H new ATOM 0 HB VAL A 57 -14.107 -3.536 0.620 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.440 -1.143 0.032 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.523 -1.632 1.356 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.061 -0.680 1.708 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.188 -2.196 -0.200 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.801 -1.727 1.473 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.656 -3.428 0.970 1.00 1.00 H new ATOM 937 N LEU A 58 -12.685 -5.369 2.539 1.00 1.00 N ATOM 938 CA LEU A 58 -11.607 -6.373 2.804 1.00 1.00 C ATOM 939 C LEU A 58 -11.175 -6.995 1.473 1.00 1.00 C ATOM 940 O LEU A 58 -11.991 -7.262 0.614 1.00 1.00 O ATOM 941 CB LEU A 58 -12.168 -7.469 3.734 1.00 1.00 C ATOM 942 CG LEU A 58 -11.220 -7.739 4.915 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.915 -8.355 4.408 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.916 -6.436 5.667 1.00 1.00 C ATOM 0 H LEU A 58 -13.455 -5.708 1.962 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.749 -5.896 3.278 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.144 -7.164 4.111 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.318 -8.388 3.167 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.707 -8.435 5.597 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.250 -8.543 5.251 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.130 -9.295 3.899 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.434 -7.667 3.712 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.244 -6.645 6.500 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.443 -5.726 4.988 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.844 -6.011 6.048 1.00 1.00 H new ATOM 956 N SER A 59 -9.901 -7.229 1.285 1.00 1.00 N ATOM 957 CA SER A 59 -9.454 -7.829 -0.003 1.00 1.00 C ATOM 958 C SER A 59 -10.220 -9.133 -0.248 1.00 1.00 C ATOM 959 O SER A 59 -10.806 -9.700 0.652 1.00 1.00 O ATOM 960 CB SER A 59 -7.946 -8.096 0.036 1.00 1.00 C ATOM 961 OG SER A 59 -7.680 -9.392 -0.481 1.00 1.00 O ATOM 0 H SER A 59 -9.161 -7.033 1.959 1.00 1.00 H new ATOM 0 HA SER A 59 -9.660 -7.134 -0.818 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.418 -7.344 -0.550 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.579 -8.019 1.059 1.00 1.00 H new ATOM 0 HG SER A 59 -7.430 -9.322 -1.426 1.00 1.00 H new ATOM 967 N ARG A 60 -10.237 -9.597 -1.469 1.00 1.00 N ATOM 968 CA ARG A 60 -10.984 -10.848 -1.786 1.00 1.00 C ATOM 969 C ARG A 60 -10.353 -12.041 -1.065 1.00 1.00 C ATOM 970 O ARG A 60 -11.043 -12.894 -0.544 1.00 1.00 O ATOM 971 CB ARG A 60 -10.943 -11.090 -3.299 1.00 1.00 C ATOM 972 CG ARG A 60 -12.062 -12.062 -3.703 1.00 1.00 C ATOM 973 CD ARG A 60 -13.345 -11.280 -4.002 1.00 1.00 C ATOM 974 NE ARG A 60 -13.215 -10.603 -5.324 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.278 -10.159 -5.936 1.00 1.00 C ATOM 976 NH1 ARG A 60 -15.455 -10.305 -5.391 1.00 1.00 N ATOM 977 NH2 ARG A 60 -14.165 -9.566 -7.093 1.00 1.00 N ATOM 0 H ARG A 60 -9.765 -9.162 -2.262 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.016 -10.740 -1.453 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.060 -10.146 -3.831 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -9.974 -11.498 -3.585 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -11.761 -12.634 -4.581 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.240 -12.779 -2.902 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.202 -11.954 -4.009 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.526 -10.543 -3.220 1.00 1.00 H new ATOM 0 HE ARG A 60 -12.295 -10.487 -5.750 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.544 -10.767 -4.486 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -16.286 -9.957 -5.870 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -13.245 -9.450 -7.519 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.996 -9.219 -7.572 1.00 1.00 H new ATOM 991 N ASP A 61 -9.051 -12.116 -1.036 1.00 1.00 N ATOM 992 CA ASP A 61 -8.396 -13.269 -0.352 1.00 1.00 C ATOM 993 C ASP A 61 -7.021 -12.852 0.170 1.00 1.00 C ATOM 994 O ASP A 61 -6.804 -12.754 1.361 1.00 1.00 O ATOM 995 CB ASP A 61 -8.234 -14.422 -1.345 1.00 1.00 C ATOM 996 CG ASP A 61 -7.670 -13.887 -2.663 1.00 1.00 C ATOM 997 OD1 ASP A 61 -7.415 -12.696 -2.735 1.00 1.00 O ATOM 998 OD2 ASP A 61 -7.503 -14.678 -3.576 1.00 1.00 O ATOM 0 H ASP A 61 -8.416 -11.435 -1.452 1.00 1.00 H new ATOM 0 HA ASP A 61 -9.016 -13.589 0.486 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.567 -15.179 -0.933 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -9.196 -14.904 -1.518 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.085 -12.611 -0.710 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.724 -12.209 -0.253 1.00 1.00 C ATOM 1005 C ALA A 62 -4.127 -11.189 -1.225 1.00 1.00 C ATOM 1006 O ALA A 62 -4.556 -11.066 -2.355 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.822 -13.444 -0.192 1.00 1.00 C ATOM 0 H ALA A 62 -6.204 -12.675 -1.721 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.797 -11.759 0.737 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.827 -13.151 0.142 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.242 -14.167 0.508 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.755 -13.895 -1.182 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.136 -10.460 -0.789 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.497 -9.446 -1.677 1.00 1.00 C ATOM 1015 C PHE A 63 -1.013 -9.347 -1.322 1.00 1.00 C ATOM 1016 O PHE A 63 -0.648 -9.214 -0.171 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.173 -8.082 -1.473 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.216 -7.861 -2.547 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.461 -8.492 -2.453 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -3.935 -7.027 -3.635 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.425 -8.290 -3.446 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -4.899 -6.823 -4.629 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.145 -7.455 -4.534 1.00 1.00 C ATOM 0 H PHE A 63 -2.739 -10.523 0.149 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.608 -9.743 -2.720 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.638 -8.040 -0.488 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.428 -7.288 -1.508 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.678 -9.135 -1.613 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -2.974 -6.540 -3.708 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.386 -8.778 -3.373 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -4.682 -6.179 -5.468 1.00 1.00 H new ATOM 0 HZ PHE A 63 -6.890 -7.298 -5.300 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.157 -9.415 -2.303 1.00 1.00 N ATOM 1034 CA LEU A 64 1.304 -9.332 -2.031 1.00 1.00 C ATOM 1035 C LEU A 64 1.704 -7.870 -1.843 1.00 1.00 C ATOM 1036 O LEU A 64 1.671 -7.088 -2.772 1.00 1.00 O ATOM 1037 CB LEU A 64 2.069 -9.917 -3.221 1.00 1.00 C ATOM 1038 CG LEU A 64 3.517 -10.224 -2.820 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.155 -11.123 -3.882 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.319 -8.917 -2.709 1.00 1.00 C ATOM 0 H LEU A 64 -0.408 -9.525 -3.285 1.00 1.00 H new ATOM 0 HA LEU A 64 1.542 -9.893 -1.127 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.579 -10.827 -3.566 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.056 -9.213 -4.053 1.00 1.00 H new ATOM 0 HG LEU A 64 3.523 -10.730 -1.855 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.185 -11.344 -3.601 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.592 -12.053 -3.957 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.143 -10.613 -4.845 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.346 -9.144 -2.424 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.314 -8.404 -3.671 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.866 -8.275 -1.953 1.00 1.00 H new ATOM 1052 N LEU A 65 2.087 -7.488 -0.652 1.00 1.00 N ATOM 1053 CA LEU A 65 2.494 -6.072 -0.428 1.00 1.00 C ATOM 1054 C LEU A 65 3.938 -6.017 0.087 1.00 1.00 C ATOM 1055 O LEU A 65 4.300 -6.726 1.004 1.00 1.00 O ATOM 1056 CB LEU A 65 1.592 -5.392 0.614 1.00 1.00 C ATOM 1057 CG LEU A 65 0.582 -6.368 1.204 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.115 -5.813 2.551 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.615 -6.491 0.253 1.00 1.00 C ATOM 0 H LEU A 65 2.135 -8.092 0.169 1.00 1.00 H new ATOM 0 HA LEU A 65 2.404 -5.551 -1.381 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.207 -4.977 1.413 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.065 -4.558 0.151 1.00 1.00 H new ATOM 0 HG LEU A 65 1.032 -7.351 1.339 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.610 -6.496 2.994 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.971 -5.710 3.218 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.349 -4.838 2.402 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.341 -7.189 0.670 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.081 -5.514 0.127 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.274 -6.858 -0.715 1.00 1.00 H new ATOM 1071 N PRO A 66 4.745 -5.148 -0.468 1.00 1.00 N ATOM 1072 CA PRO A 66 6.148 -4.968 -0.016 1.00 1.00 C ATOM 1073 C PRO A 66 6.174 -4.204 1.310 1.00 1.00 C ATOM 1074 O PRO A 66 5.265 -3.454 1.609 1.00 1.00 O ATOM 1075 CB PRO A 66 6.799 -4.155 -1.138 1.00 1.00 C ATOM 1076 CG PRO A 66 5.678 -3.436 -1.816 1.00 1.00 C ATOM 1077 CD PRO A 66 4.407 -4.250 -1.582 1.00 1.00 C ATOM 0 HA PRO A 66 6.668 -5.909 0.161 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.531 -3.453 -0.739 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.328 -4.804 -1.836 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.569 -2.429 -1.414 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.877 -3.333 -2.883 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.564 -3.606 -1.331 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.125 -4.811 -2.473 1.00 1.00 H new ATOM 1085 N GLN A 67 7.176 -4.390 2.125 1.00 1.00 N ATOM 1086 CA GLN A 67 7.198 -3.663 3.428 1.00 1.00 C ATOM 1087 C GLN A 67 8.636 -3.321 3.821 1.00 1.00 C ATOM 1088 O GLN A 67 9.526 -4.144 3.741 1.00 1.00 O ATOM 1089 CB GLN A 67 6.569 -4.540 4.513 1.00 1.00 C ATOM 1090 CG GLN A 67 6.166 -3.672 5.707 1.00 1.00 C ATOM 1091 CD GLN A 67 5.757 -4.570 6.876 1.00 1.00 C ATOM 1092 OE1 GLN A 67 5.517 -5.834 6.659 1.00 1.00 O flip ATOM 1093 NE2 GLN A 67 5.654 -4.116 7.999 1.00 1.00 N flip ATOM 0 H GLN A 67 7.971 -5.005 1.950 1.00 1.00 H new ATOM 0 HA GLN A 67 6.630 -2.739 3.326 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.696 -5.057 4.115 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.276 -5.306 4.830 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.997 -3.031 6.001 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.340 -3.017 5.431 1.00 1.00 H new ATOM 0 HE21 GLN A 67 5.842 -3.128 8.169 1.00 1.00 H new ATOM 0 HE22 GLN A 67 5.380 -4.723 8.771 1.00 1.00 H new ATOM 1102 N CYS A 68 8.864 -2.110 4.256 1.00 1.00 N ATOM 1103 CA CYS A 68 10.239 -1.702 4.671 1.00 1.00 C ATOM 1104 C CYS A 68 10.304 -1.639 6.197 1.00 1.00 C ATOM 1105 O CYS A 68 9.486 -1.003 6.832 1.00 1.00 O ATOM 1106 CB CYS A 68 10.542 -0.321 4.094 1.00 1.00 C ATOM 1107 SG CYS A 68 10.221 -0.335 2.315 1.00 1.00 S ATOM 0 H CYS A 68 8.154 -1.383 4.342 1.00 1.00 H new ATOM 0 HA CYS A 68 10.969 -2.423 4.303 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.924 0.433 4.581 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.581 -0.054 4.286 1.00 1.00 H new ATOM 1112 N ASP A 69 11.264 -2.298 6.797 1.00 1.00 N ATOM 1113 CA ASP A 69 11.366 -2.275 8.291 1.00 1.00 C ATOM 1114 C ASP A 69 12.773 -1.843 8.719 1.00 1.00 C ATOM 1115 O ASP A 69 13.760 -2.441 8.339 1.00 1.00 O ATOM 1116 CB ASP A 69 11.072 -3.673 8.842 1.00 1.00 C ATOM 1117 CG ASP A 69 10.725 -3.575 10.329 1.00 1.00 C ATOM 1118 OD1 ASP A 69 9.632 -3.127 10.634 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.558 -3.949 11.137 1.00 1.00 O ATOM 0 H ASP A 69 11.979 -2.849 6.321 1.00 1.00 H new ATOM 0 HA ASP A 69 10.641 -1.563 8.686 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.245 -4.125 8.294 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.938 -4.320 8.702 1.00 1.00 H new ATOM 1124 N ARG A 70 12.867 -0.811 9.517 1.00 1.00 N ATOM 1125 CA ARG A 70 14.204 -0.343 9.984 1.00 1.00 C ATOM 1126 C ARG A 70 14.803 -1.390 10.927 1.00 1.00 C ATOM 1127 O ARG A 70 14.124 -1.929 11.779 1.00 1.00 O ATOM 1128 CB ARG A 70 14.044 0.988 10.730 1.00 1.00 C ATOM 1129 CG ARG A 70 15.380 1.738 10.744 1.00 1.00 C ATOM 1130 CD ARG A 70 15.359 2.799 11.846 1.00 1.00 C ATOM 1131 NE ARG A 70 15.464 2.136 13.176 1.00 1.00 N ATOM 1132 CZ ARG A 70 15.173 2.800 14.261 1.00 1.00 C ATOM 1133 NH1 ARG A 70 14.789 4.045 14.181 1.00 1.00 N ATOM 1134 NH2 ARG A 70 15.264 2.219 15.426 1.00 1.00 N ATOM 0 H ARG A 70 12.074 -0.272 9.865 1.00 1.00 H new ATOM 0 HA ARG A 70 14.865 -0.202 9.129 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.280 1.597 10.247 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.708 0.805 11.751 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.199 1.039 10.913 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.556 2.207 9.776 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.185 3.497 11.709 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.438 3.380 11.789 1.00 1.00 H new ATOM 0 HE ARG A 70 15.763 1.163 13.239 1.00 1.00 H new ATOM 0 HH11 ARG A 70 14.716 4.499 13.270 1.00 1.00 H new ATOM 0 HH12 ARG A 70 14.562 4.564 15.029 1.00 1.00 H new ATOM 0 HH21 ARG A 70 15.563 1.246 15.489 1.00 1.00 H new ATOM 0 HH22 ARG A 70 15.037 2.738 16.274 1.00 1.00 H new ATOM 1148 N ILE A 71 16.068 -1.684 10.777 1.00 1.00 N ATOM 1149 CA ILE A 71 16.714 -2.700 11.662 1.00 1.00 C ATOM 1150 C ILE A 71 18.005 -2.122 12.246 1.00 1.00 C ATOM 1151 O ILE A 71 18.363 -2.396 13.373 1.00 1.00 O ATOM 1152 CB ILE A 71 17.047 -3.952 10.841 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.747 -4.606 10.339 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.829 -4.941 11.710 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.168 -5.537 11.412 1.00 1.00 C ATOM 0 H ILE A 71 16.683 -1.264 10.080 1.00 1.00 H new ATOM 0 HA ILE A 71 16.032 -2.962 12.471 1.00 1.00 H new ATOM 0 HB ILE A 71 17.656 -3.671 9.982 1.00 1.00 H new ATOM 0 HG12 ILE A 71 15.019 -3.835 10.086 1.00 1.00 H new ATOM 0 HG13 ILE A 71 15.945 -5.170 9.427 1.00 1.00 H new ATOM 0 HG21 ILE A 71 18.065 -5.831 11.126 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.753 -4.474 12.051 1.00 1.00 H new ATOM 0 HG23 ILE A 71 17.226 -5.223 12.573 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.249 -5.992 11.042 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.891 -6.318 11.645 1.00 1.00 H new ATOM 0 HD13 ILE A 71 14.951 -4.963 12.313 1.00 1.00 H new ATOM 1167 N LYS A 72 18.710 -1.328 11.486 1.00 1.00 N ATOM 1168 CA LYS A 72 19.980 -0.742 12.002 1.00 1.00 C ATOM 1169 C LYS A 72 20.300 0.545 11.237 1.00 1.00 C ATOM 1170 O LYS A 72 19.623 0.901 10.293 1.00 1.00 O ATOM 1171 CB LYS A 72 21.117 -1.752 11.811 1.00 1.00 C ATOM 1172 CG LYS A 72 22.329 -1.342 12.656 1.00 1.00 C ATOM 1173 CD LYS A 72 23.289 -2.531 12.801 1.00 1.00 C ATOM 1174 CE LYS A 72 22.893 -3.374 14.017 1.00 1.00 C ATOM 1175 NZ LYS A 72 23.598 -4.686 13.961 1.00 1.00 N ATOM 0 H LYS A 72 18.462 -1.061 10.533 1.00 1.00 H new ATOM 0 HA LYS A 72 19.872 -0.511 13.062 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.782 -2.748 12.100 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.397 -1.802 10.759 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.843 -0.503 12.187 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.001 -1.006 13.640 1.00 1.00 H new ATOM 0 HD2 LYS A 72 23.263 -3.143 11.899 1.00 1.00 H new ATOM 0 HD3 LYS A 72 24.312 -2.172 12.914 1.00 1.00 H new ATOM 0 HE2 LYS A 72 23.151 -2.849 14.937 1.00 1.00 H new ATOM 0 HE3 LYS A 72 21.814 -3.529 14.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 23.330 -5.260 14.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 23.331 -5.187 13.090 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 24.626 -4.528 13.968 1.00 1.00 H new ATOM 1189 N LEU A 73 21.322 1.252 11.645 1.00 1.00 N ATOM 1190 CA LEU A 73 21.683 2.523 10.951 1.00 1.00 C ATOM 1191 C LEU A 73 20.499 3.495 11.066 1.00 1.00 C ATOM 1192 O LEU A 73 19.456 3.135 11.575 1.00 1.00 O ATOM 1193 CB LEU A 73 21.994 2.227 9.475 1.00 1.00 C ATOM 1194 CG LEU A 73 22.859 0.967 9.367 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.121 0.655 7.893 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.194 1.204 10.078 1.00 1.00 C ATOM 0 H LEU A 73 21.923 1.003 12.431 1.00 1.00 H new ATOM 0 HA LEU A 73 22.565 2.971 11.409 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.066 2.091 8.919 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.513 3.074 9.027 1.00 1.00 H new ATOM 0 HG LEU A 73 22.340 0.129 9.832 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.736 -0.241 7.815 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.173 0.490 7.382 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.641 1.494 7.430 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.811 0.308 10.002 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.712 2.042 9.610 1.00 1.00 H new ATOM 0 HD23 LEU A 73 24.012 1.431 11.128 1.00 1.00 H new ATOM 1208 N PRO A 74 20.644 4.720 10.612 1.00 1.00 N ATOM 1209 CA PRO A 74 19.563 5.731 10.687 1.00 1.00 C ATOM 1210 C PRO A 74 18.681 5.741 9.435 1.00 1.00 C ATOM 1211 O PRO A 74 17.599 6.294 9.432 1.00 1.00 O ATOM 1212 CB PRO A 74 20.334 7.047 10.823 1.00 1.00 C ATOM 1213 CG PRO A 74 21.674 6.810 10.177 1.00 1.00 C ATOM 1214 CD PRO A 74 21.840 5.292 9.981 1.00 1.00 C ATOM 0 HA PRO A 74 18.872 5.538 11.507 1.00 1.00 H new ATOM 0 HB2 PRO A 74 19.803 7.863 10.333 1.00 1.00 H new ATOM 0 HB3 PRO A 74 20.449 7.326 11.870 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.733 7.328 9.220 1.00 1.00 H new ATOM 0 HG3 PRO A 74 22.475 7.204 10.803 1.00 1.00 H new ATOM 0 HD2 PRO A 74 21.898 5.030 8.925 1.00 1.00 H new ATOM 0 HD3 PRO A 74 22.753 4.926 10.451 1.00 1.00 H new ATOM 1222 N CYS A 75 19.132 5.134 8.370 1.00 1.00 N ATOM 1223 CA CYS A 75 18.311 5.114 7.124 1.00 1.00 C ATOM 1224 C CYS A 75 18.579 3.819 6.352 1.00 1.00 C ATOM 1225 O CYS A 75 19.097 3.831 5.253 1.00 1.00 O ATOM 1226 CB CYS A 75 18.671 6.327 6.258 1.00 1.00 C ATOM 1227 SG CYS A 75 17.234 6.802 5.263 1.00 1.00 S ATOM 0 H CYS A 75 20.029 4.653 8.308 1.00 1.00 H new ATOM 0 HA CYS A 75 17.253 5.159 7.382 1.00 1.00 H new ATOM 0 HB2 CYS A 75 18.981 7.159 6.889 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.514 6.088 5.609 1.00 1.00 H new ATOM 1232 N HIS A 76 18.219 2.700 6.920 1.00 1.00 N ATOM 1233 CA HIS A 76 18.437 1.397 6.229 1.00 1.00 C ATOM 1234 C HIS A 76 17.339 0.425 6.659 1.00 1.00 C ATOM 1235 O HIS A 76 17.228 0.079 7.818 1.00 1.00 O ATOM 1236 CB HIS A 76 19.804 0.831 6.619 1.00 1.00 C ATOM 1237 CG HIS A 76 20.086 -0.401 5.806 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.498 -1.594 6.387 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.023 -0.645 4.455 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.662 -2.492 5.398 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.386 -1.964 4.205 1.00 1.00 N ATOM 0 H HIS A 76 17.781 2.632 7.839 1.00 1.00 H new ATOM 0 HA HIS A 76 18.406 1.540 5.149 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.580 1.577 6.450 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.820 0.590 7.682 1.00 1.00 H new ATOM 0 HD2 HIS A 76 19.736 0.076 3.704 1.00 1.00 H new ATOM 0 HE1 HIS A 76 20.978 -3.513 5.552 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.432 -2.430 3.299 1.00 1.00 H new ATOM 1250 N TYR A 77 16.516 -0.009 5.739 1.00 1.00 N ATOM 1251 CA TYR A 77 15.412 -0.947 6.103 1.00 1.00 C ATOM 1252 C TYR A 77 15.596 -2.282 5.379 1.00 1.00 C ATOM 1253 O TYR A 77 16.381 -2.402 4.459 1.00 1.00 O ATOM 1254 CB TYR A 77 14.064 -0.333 5.700 1.00 1.00 C ATOM 1255 CG TYR A 77 14.196 1.169 5.598 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.783 1.744 4.464 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.728 1.986 6.634 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.903 3.135 4.367 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.848 3.378 6.536 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.436 3.951 5.403 1.00 1.00 C ATOM 1261 OH TYR A 77 14.551 5.322 5.306 1.00 1.00 O ATOM 0 H TYR A 77 16.561 0.245 4.752 1.00 1.00 H new ATOM 0 HA TYR A 77 15.433 -1.118 7.179 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.738 -0.744 4.745 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.302 -0.591 6.435 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.143 1.114 3.664 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.275 1.543 7.508 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.356 3.578 3.493 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.487 4.009 7.335 1.00 1.00 H new ATOM 0 HH TYR A 77 15.398 5.608 5.707 1.00 1.00 H new ATOM 1271 N LYS A 78 14.864 -3.283 5.790 1.00 1.00 N ATOM 1272 CA LYS A 78 14.967 -4.619 5.136 1.00 1.00 C ATOM 1273 C LYS A 78 13.717 -4.849 4.289 1.00 1.00 C ATOM 1274 O LYS A 78 12.670 -4.279 4.543 1.00 1.00 O ATOM 1275 CB LYS A 78 15.072 -5.709 6.208 1.00 1.00 C ATOM 1276 CG LYS A 78 13.747 -5.806 6.987 1.00 1.00 C ATOM 1277 CD LYS A 78 12.909 -6.981 6.464 1.00 1.00 C ATOM 1278 CE LYS A 78 13.368 -8.283 7.127 1.00 1.00 C ATOM 1279 NZ LYS A 78 12.499 -9.404 6.670 1.00 1.00 N ATOM 0 H LYS A 78 14.194 -3.231 6.557 1.00 1.00 H new ATOM 0 HA LYS A 78 15.854 -4.656 4.504 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.302 -6.668 5.743 1.00 1.00 H new ATOM 0 HB3 LYS A 78 15.890 -5.482 6.891 1.00 1.00 H new ATOM 0 HG2 LYS A 78 13.950 -5.939 8.050 1.00 1.00 H new ATOM 0 HG3 LYS A 78 13.187 -4.876 6.884 1.00 1.00 H new ATOM 0 HD2 LYS A 78 11.853 -6.808 6.674 1.00 1.00 H new ATOM 0 HD3 LYS A 78 13.010 -7.058 5.381 1.00 1.00 H new ATOM 0 HE2 LYS A 78 14.408 -8.487 6.872 1.00 1.00 H new ATOM 0 HE3 LYS A 78 13.319 -8.189 8.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 12.965 -10.311 6.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 11.587 -9.362 7.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 12.337 -9.323 5.646 1.00 1.00 H new ATOM 1293 N LEU A 79 13.818 -5.674 3.281 1.00 1.00 N ATOM 1294 CA LEU A 79 12.641 -5.941 2.405 1.00 1.00 C ATOM 1295 C LEU A 79 11.836 -7.118 2.966 1.00 1.00 C ATOM 1296 O LEU A 79 12.360 -8.190 3.194 1.00 1.00 O ATOM 1297 CB LEU A 79 13.136 -6.279 0.990 1.00 1.00 C ATOM 1298 CG LEU A 79 12.095 -5.859 -0.060 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.737 -6.480 0.278 1.00 1.00 C ATOM 1300 CD2 LEU A 79 11.968 -4.327 -0.097 1.00 1.00 C ATOM 0 H LEU A 79 14.668 -6.176 3.026 1.00 1.00 H new ATOM 0 HA LEU A 79 12.002 -5.059 2.369 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.081 -5.770 0.798 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.329 -7.349 0.912 1.00 1.00 H new ATOM 0 HG LEU A 79 12.420 -6.212 -1.039 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.003 -6.179 -0.470 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.825 -7.566 0.283 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.415 -6.137 1.261 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.228 -4.041 -0.844 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.654 -3.964 0.882 1.00 1.00 H new ATOM 0 HD23 LEU A 79 12.932 -3.888 -0.355 1.00 1.00 H new ATOM 1312 N SER A 80 10.563 -6.925 3.179 1.00 1.00 N ATOM 1313 CA SER A 80 9.710 -8.024 3.714 1.00 1.00 C ATOM 1314 C SER A 80 8.318 -7.914 3.090 1.00 1.00 C ATOM 1315 O SER A 80 7.660 -6.900 3.202 1.00 1.00 O ATOM 1316 CB SER A 80 9.600 -7.895 5.233 1.00 1.00 C ATOM 1317 OG SER A 80 8.396 -8.511 5.671 1.00 1.00 O ATOM 0 H SER A 80 10.074 -6.047 3.004 1.00 1.00 H new ATOM 0 HA SER A 80 10.153 -8.989 3.469 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.458 -8.366 5.713 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.610 -6.844 5.522 1.00 1.00 H new ATOM 0 HG SER A 80 8.323 -8.431 6.645 1.00 1.00 H new ATOM 1323 N SER A 81 7.866 -8.942 2.421 1.00 1.00 N ATOM 1324 CA SER A 81 6.518 -8.884 1.780 1.00 1.00 C ATOM 1325 C SER A 81 5.769 -10.196 2.025 1.00 1.00 C ATOM 1326 O SER A 81 6.360 -11.215 2.324 1.00 1.00 O ATOM 1327 CB SER A 81 6.688 -8.664 0.274 1.00 1.00 C ATOM 1328 OG SER A 81 7.868 -7.907 0.042 1.00 1.00 O ATOM 0 H SER A 81 8.371 -9.819 2.291 1.00 1.00 H new ATOM 0 HA SER A 81 5.946 -8.062 2.210 1.00 1.00 H new ATOM 0 HB2 SER A 81 6.750 -9.623 -0.241 1.00 1.00 H new ATOM 0 HB3 SER A 81 5.821 -8.141 -0.129 1.00 1.00 H new ATOM 0 HG SER A 81 7.863 -7.567 -0.877 1.00 1.00 H new ATOM 1334 N SER A 82 4.471 -10.177 1.897 1.00 1.00 N ATOM 1335 CA SER A 82 3.679 -11.420 2.117 1.00 1.00 C ATOM 1336 C SER A 82 2.295 -11.252 1.502 1.00 1.00 C ATOM 1337 O SER A 82 1.875 -10.157 1.180 1.00 1.00 O ATOM 1338 CB SER A 82 3.549 -11.689 3.617 1.00 1.00 C ATOM 1339 OG SER A 82 2.866 -12.921 3.814 1.00 1.00 O ATOM 0 H SER A 82 3.924 -9.353 1.649 1.00 1.00 H new ATOM 0 HA SER A 82 4.185 -12.263 1.646 1.00 1.00 H new ATOM 0 HB2 SER A 82 4.536 -11.729 4.078 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.005 -10.877 4.098 1.00 1.00 H new ATOM 0 HG SER A 82 2.782 -13.098 4.774 1.00 1.00 H new ATOM 1345 N THR A 83 1.590 -12.333 1.317 1.00 1.00 N ATOM 1346 CA THR A 83 0.246 -12.258 0.704 1.00 1.00 C ATOM 1347 C THR A 83 -0.828 -12.446 1.779 1.00 1.00 C ATOM 1348 O THR A 83 -0.908 -13.475 2.419 1.00 1.00 O ATOM 1349 CB THR A 83 0.151 -13.370 -0.336 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.132 -14.359 -0.052 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.403 -12.789 -1.725 1.00 1.00 C ATOM 0 H THR A 83 1.896 -13.273 1.569 1.00 1.00 H new ATOM 0 HA THR A 83 0.090 -11.286 0.236 1.00 1.00 H new ATOM 0 HB THR A 83 -0.842 -13.818 -0.305 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.074 -15.077 -0.716 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.335 -13.583 -2.469 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.344 -12.025 -1.941 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.398 -12.344 -1.758 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.656 -11.457 1.975 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.729 -11.575 3.002 1.00 1.00 C ATOM 1361 C ASN A 84 -3.826 -10.550 2.708 1.00 1.00 C ATOM 1362 O ASN A 84 -3.592 -9.547 2.062 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.139 -11.308 4.389 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.660 -9.857 4.469 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -2.522 -8.888 4.320 1.00 1.00 O flip ATOM 1366 ND2 ASN A 84 -0.489 -9.603 4.671 1.00 1.00 N flip ATOM 0 H ASN A 84 -1.636 -10.572 1.468 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.152 -12.579 2.975 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.888 -11.498 5.157 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.308 -11.987 4.579 1.00 1.00 H new ATOM 0 HD21 ASN A 84 0.184 -10.360 4.787 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -0.179 -8.633 4.724 1.00 1.00 H new ATOM 1373 N THR A 85 -5.023 -10.789 3.176 1.00 1.00 N ATOM 1374 CA THR A 85 -6.125 -9.824 2.924 1.00 1.00 C ATOM 1375 C THR A 85 -5.852 -8.552 3.732 1.00 1.00 C ATOM 1376 O THR A 85 -5.137 -8.576 4.711 1.00 1.00 O ATOM 1377 CB THR A 85 -7.457 -10.461 3.359 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.230 -11.816 3.720 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.473 -10.406 2.214 1.00 1.00 C ATOM 0 H THR A 85 -5.282 -11.611 3.721 1.00 1.00 H new ATOM 0 HA THR A 85 -6.184 -9.573 1.865 1.00 1.00 H new ATOM 0 HB THR A 85 -7.854 -9.908 4.210 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.252 -12.377 2.917 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.410 -10.860 2.537 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.651 -9.367 1.935 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.083 -10.951 1.355 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.399 -7.438 3.324 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.151 -6.167 4.067 1.00 1.00 C ATOM 1389 C ILE A 86 -7.460 -5.376 4.164 1.00 1.00 C ATOM 1390 O ILE A 86 -8.418 -5.663 3.473 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.081 -5.345 3.320 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.746 -4.262 2.454 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.262 -6.278 2.423 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.717 -3.647 1.504 1.00 1.00 C ATOM 0 H ILE A 86 -7.006 -7.353 2.509 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.793 -6.384 5.074 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.431 -4.864 4.050 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.567 -4.695 1.883 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.174 -3.488 3.091 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.504 -5.701 1.893 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.777 -7.038 3.035 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.921 -6.760 1.701 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.197 -2.881 0.895 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -3.910 -3.198 2.083 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.310 -4.424 0.857 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.504 -4.377 5.007 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.742 -3.559 5.140 1.00 1.00 C ATOM 1408 C CYS A 87 -8.449 -2.141 4.651 1.00 1.00 C ATOM 1409 O CYS A 87 -7.438 -1.555 4.982 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.183 -3.531 6.609 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.283 -2.122 6.896 1.00 1.00 S ATOM 0 H CYS A 87 -6.732 -4.093 5.610 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.544 -3.992 4.542 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.694 -4.460 6.862 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.310 -3.460 7.258 1.00 1.00 H new ATOM 0 HG CYS A 87 -10.653 -2.107 8.142 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.318 -1.588 3.852 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.087 -0.209 3.334 1.00 1.00 C ATOM 1418 C ILE A 88 -10.444 0.475 3.147 1.00 1.00 C ATOM 1419 O ILE A 88 -11.459 -0.179 3.017 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.312 -0.289 2.000 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.917 0.658 0.955 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.366 -1.717 1.456 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.999 0.729 -0.271 1.00 1.00 C ATOM 0 H ILE A 88 -10.180 -2.031 3.534 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.493 0.375 4.037 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.280 0.005 2.192 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.906 0.307 0.661 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.046 1.652 1.383 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.818 -1.769 0.515 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -7.914 -2.398 2.177 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.404 -2.003 1.288 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.432 1.402 -1.011 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.019 1.101 0.029 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.892 -0.266 -0.704 1.00 1.00 H new ATOM 1435 N THR A 89 -10.475 1.782 3.140 1.00 1.00 N ATOM 1436 CA THR A 89 -11.774 2.495 2.969 1.00 1.00 C ATOM 1437 C THR A 89 -11.813 3.172 1.594 1.00 1.00 C ATOM 1438 O THR A 89 -10.868 3.819 1.181 1.00 1.00 O ATOM 1439 CB THR A 89 -11.934 3.534 4.092 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.715 2.972 5.137 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.628 4.798 3.570 1.00 1.00 C ATOM 0 H THR A 89 -9.659 2.385 3.245 1.00 1.00 H new ATOM 0 HA THR A 89 -12.598 1.784 3.027 1.00 1.00 H new ATOM 0 HB THR A 89 -10.945 3.806 4.461 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.820 3.629 5.857 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.730 5.518 4.382 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.032 5.236 2.769 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.616 4.539 3.188 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.907 3.023 0.890 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.038 3.650 -0.460 1.00 1.00 C ATOM 1451 C CYS A 90 -14.339 4.453 -0.522 1.00 1.00 C ATOM 1452 O CYS A 90 -15.296 4.152 0.164 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.067 2.559 -1.534 1.00 1.00 C ATOM 1454 SG CYS A 90 -11.769 1.342 -1.207 1.00 1.00 S ATOM 0 H CYS A 90 -13.721 2.490 1.196 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.189 4.310 -0.636 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -14.042 2.071 -1.543 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -12.923 3.002 -2.519 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.384 5.470 -1.340 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.621 6.293 -1.446 1.00 1.00 C ATOM 1461 C VAL A 91 -16.598 5.634 -2.424 1.00 1.00 C ATOM 1462 O VAL A 91 -16.641 4.426 -2.553 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.259 7.692 -1.947 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.258 8.334 -0.984 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.631 7.589 -3.339 1.00 1.00 C ATOM 0 H VAL A 91 -13.615 5.766 -1.941 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.091 6.368 -0.465 1.00 1.00 H new ATOM 0 HB VAL A 91 -16.160 8.304 -1.999 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -13.999 9.331 -1.340 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.703 8.407 0.008 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -13.358 7.722 -0.933 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -14.373 8.586 -3.696 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.730 6.977 -3.287 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -15.342 7.130 -4.026 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.381 6.421 -3.111 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.362 5.853 -4.081 1.00 1.00 C ATOM 1477 C ASN A 92 -17.703 4.761 -4.910 1.00 1.00 C ATOM 1478 O ASN A 92 -18.318 3.783 -5.286 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.849 6.967 -5.008 1.00 1.00 C ATOM 1480 CG ASN A 92 -20.183 6.566 -5.641 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -21.034 5.998 -4.984 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.403 6.838 -6.898 1.00 1.00 N ATOM 0 H ASN A 92 -17.384 7.439 -3.042 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.203 5.426 -3.535 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.966 7.894 -4.447 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -18.109 7.156 -5.786 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.289 6.574 -7.329 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -19.689 7.314 -7.449 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.455 4.929 -5.190 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.718 3.918 -5.995 1.00 1.00 C ATOM 1491 C GLN A 93 -14.271 4.372 -6.170 1.00 1.00 C ATOM 1492 O GLN A 93 -13.733 4.368 -7.259 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.377 3.772 -7.369 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.741 5.156 -7.913 1.00 1.00 C ATOM 1495 CD GLN A 93 -17.015 5.058 -9.416 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -18.130 5.252 -9.854 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -16.035 4.765 -10.227 1.00 1.00 N ATOM 0 H GLN A 93 -15.899 5.732 -4.895 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.742 2.957 -5.481 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.699 3.266 -8.057 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.271 3.154 -7.291 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.620 5.542 -7.397 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.928 5.857 -7.726 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -15.098 4.602 -9.857 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -16.206 4.699 -11.230 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.637 4.768 -5.102 1.00 1.00 N ATOM 1507 CA LEU A 94 -12.220 5.230 -5.198 1.00 1.00 C ATOM 1508 C LEU A 94 -11.505 4.937 -3.867 1.00 1.00 C ATOM 1509 O LEU A 94 -11.890 5.448 -2.834 1.00 1.00 O ATOM 1510 CB LEU A 94 -12.204 6.744 -5.473 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.247 7.063 -6.631 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.919 6.744 -7.969 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.879 8.549 -6.593 1.00 1.00 C ATOM 0 H LEU A 94 -14.038 4.792 -4.164 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.709 4.708 -6.007 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -13.209 7.087 -5.717 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.893 7.281 -4.577 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.347 6.456 -6.527 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.233 6.973 -8.784 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -12.181 5.686 -8.002 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.822 7.345 -8.075 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.200 8.777 -7.414 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.783 9.150 -6.692 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.392 8.779 -5.645 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.472 4.124 -3.881 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.712 3.779 -2.643 1.00 1.00 C ATOM 1527 C PRO A 95 -8.765 4.909 -2.227 1.00 1.00 C ATOM 1528 O PRO A 95 -7.973 5.381 -3.019 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.926 2.531 -3.046 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.715 2.662 -4.519 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.911 3.447 -5.066 1.00 1.00 C ATOM 0 HA PRO A 95 -10.364 3.620 -1.784 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.976 2.475 -2.515 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.479 1.623 -2.806 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.781 3.182 -4.732 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.648 1.681 -4.989 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.602 4.165 -5.826 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.643 2.786 -5.531 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.844 5.359 -0.999 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.951 6.472 -0.565 1.00 1.00 C ATOM 1541 C ILE A 96 -7.481 6.271 0.883 1.00 1.00 C ATOM 1542 O ILE A 96 -6.649 7.014 1.365 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.712 7.799 -0.682 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.902 7.809 0.289 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.233 7.961 -2.114 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.436 8.136 1.713 1.00 1.00 C ATOM 0 H ILE A 96 -9.482 5.006 -0.286 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.071 6.486 -1.208 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.038 8.619 -0.436 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.637 8.545 -0.036 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.396 6.838 0.277 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.774 8.903 -2.200 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.393 7.960 -2.809 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.903 7.135 -2.353 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.294 8.138 2.385 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.719 7.384 2.043 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -8.964 9.118 1.725 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.996 5.291 1.592 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.545 5.096 3.008 1.00 1.00 C ATOM 1560 C HIS A 97 -6.951 3.696 3.190 1.00 1.00 C ATOM 1561 O HIS A 97 -7.447 2.722 2.659 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.744 5.274 3.951 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.650 6.600 4.660 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.463 7.058 5.217 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.584 7.575 4.910 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.713 8.261 5.769 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.988 8.619 5.609 1.00 1.00 N ATOM 0 H HIS A 97 -8.697 4.629 1.258 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.778 5.834 3.242 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.674 5.220 3.385 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.767 4.464 4.680 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.621 7.537 4.610 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -6.973 8.861 6.278 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -9.433 9.478 5.932 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.894 3.597 3.954 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.249 2.274 4.206 1.00 1.00 C ATOM 1578 C PHE A 98 -5.502 1.877 5.661 1.00 1.00 C ATOM 1579 O PHE A 98 -4.854 2.361 6.568 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.740 2.393 3.961 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.042 1.153 4.467 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.079 -0.028 3.716 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.356 1.185 5.687 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.430 -1.176 4.184 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.707 0.037 6.155 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.743 -1.144 5.404 1.00 1.00 C ATOM 0 H PHE A 98 -5.445 4.386 4.419 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.664 1.519 3.538 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.544 2.523 2.897 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.348 3.275 4.468 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.609 -0.053 2.775 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.328 2.096 6.267 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.459 -2.087 3.604 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.178 0.062 7.096 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.241 -2.030 5.765 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.446 1.011 5.893 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.752 0.593 7.289 1.00 1.00 C ATOM 1598 C ALA A 99 -5.530 -0.094 7.912 1.00 1.00 C ATOM 1599 O ALA A 99 -4.865 0.461 8.763 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.940 -0.372 7.275 1.00 1.00 C ATOM 0 H ALA A 99 -7.021 0.573 5.174 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.001 1.471 7.884 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.169 -0.682 8.295 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.808 0.126 6.843 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.690 -1.248 6.677 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.231 -1.296 7.499 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.057 -2.010 8.077 1.00 1.00 C ATOM 1608 C GLY A 100 -3.724 -3.235 7.223 1.00 1.00 C ATOM 1609 O GLY A 100 -3.679 -3.163 6.010 1.00 1.00 O ATOM 0 H GLY A 100 -5.748 -1.813 6.788 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.198 -1.341 8.120 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.274 -2.317 9.100 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.485 -4.360 7.847 1.00 1.00 N ATOM 1614 CA VAL A 101 -3.147 -5.595 7.077 1.00 1.00 C ATOM 1615 C VAL A 101 -3.937 -6.783 7.634 1.00 1.00 C ATOM 1616 O VAL A 101 -4.255 -6.836 8.805 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.648 -5.878 7.206 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.251 -6.993 6.238 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.859 -4.610 6.868 1.00 1.00 C ATOM 0 H VAL A 101 -3.509 -4.477 8.860 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.405 -5.449 6.028 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.426 -6.187 8.227 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.184 -7.193 6.331 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.812 -7.897 6.475 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.474 -6.685 5.217 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.208 -4.810 6.960 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.084 -4.303 5.847 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.139 -3.813 7.557 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.254 -7.738 6.800 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.020 -8.928 7.276 1.00 1.00 C ATOM 1631 C GLY A 102 -6.522 -8.650 7.176 1.00 1.00 C ATOM 1632 O GLY A 102 -7.184 -9.093 6.260 1.00 1.00 O ATOM 0 H GLY A 102 -4.015 -7.746 5.808 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.762 -9.802 6.678 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.751 -9.157 8.307 1.00 1.00 H new ATOM 1636 N SER A 103 -7.065 -7.921 8.111 1.00 1.00 N ATOM 1637 CA SER A 103 -8.521 -7.616 8.069 1.00 1.00 C ATOM 1638 C SER A 103 -8.855 -6.577 9.140 1.00 1.00 C ATOM 1639 O SER A 103 -8.283 -6.567 10.211 1.00 1.00 O ATOM 1640 CB SER A 103 -9.318 -8.895 8.329 1.00 1.00 C ATOM 1641 OG SER A 103 -8.949 -9.430 9.593 1.00 1.00 O ATOM 0 H SER A 103 -6.562 -7.523 8.904 1.00 1.00 H new ATOM 0 HA SER A 103 -8.782 -7.221 7.087 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.387 -8.681 8.310 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.124 -9.624 7.542 1.00 1.00 H new ATOM 0 HG SER A 103 -9.460 -10.249 9.763 1.00 1.00 H new