USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 MET CE :methyl -117:sc= -1.32 (180deg=-3.21!) USER MOD Set 1.2: A 74 MET CE :methyl -123:sc= -0.732 (180deg=-1.52) 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 11 HIS : no HD1:sc= -1.99! K(o=-2!,f=-0.56) USER MOD Single : A 14 GLN : amide:sc= -2.17! C(o=-2.2!,f=-3.1!) USER MOD Single : A 15 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-3.8!) USER MOD Single : A 16 THR OG1 : rot 140:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -66:sc= 1.37 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -55:sc= -0.844 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.541 (180deg=-2.14!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 42 ASN : amide:sc= -2.16! X(o=-2.2!,f=-1.7) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 173:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ -123:sc= 0.0184 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.659 K(o=-0.66,f=-4.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0595 X(o=-0.059,f=-0.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 130:sc= -0.036 USER MOD Single : A 75 ASN : amide:sc= -0.0699 K(o=-0.07,f=-0.77) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -3.11! C(o=-3.1!,f=-2.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -98:sc= 0.184 USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.0145 (180deg=-0.236) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -51:sc= -0.182 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.637 -17.252 4.802 1.00 0.00 N ATOM 2 CA GLY A 1 16.943 -15.986 4.161 1.00 0.00 C ATOM 3 C GLY A 1 16.500 -14.796 4.988 1.00 0.00 C ATOM 4 O GLY A 1 17.272 -13.862 5.208 1.00 0.00 O ATOM 0 H1 GLY A 1 16.959 -18.034 4.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.122 -17.302 5.721 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.610 -17.328 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.017 -15.922 3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.456 -15.949 3.186 1.00 0.00 H new ATOM 8 N SER A 2 15.253 -14.826 5.447 1.00 0.00 N ATOM 9 CA SER A 2 14.707 -13.738 6.249 1.00 0.00 C ATOM 10 C SER A 2 15.216 -13.815 7.686 1.00 0.00 C ATOM 11 O SER A 2 15.086 -14.844 8.348 1.00 0.00 O ATOM 12 CB SER A 2 13.178 -13.784 6.235 1.00 0.00 C ATOM 13 OG SER A 2 12.665 -13.307 5.003 1.00 0.00 O ATOM 0 H SER A 2 14.602 -15.592 5.277 1.00 0.00 H new ATOM 0 HA SER A 2 15.039 -12.796 5.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.840 -14.807 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.785 -13.181 7.054 1.00 0.00 H new ATOM 0 HG SER A 2 11.686 -13.348 5.018 1.00 0.00 H new ATOM 19 N SER A 3 15.795 -12.717 8.161 1.00 0.00 N ATOM 20 CA SER A 3 16.328 -12.659 9.517 1.00 0.00 C ATOM 21 C SER A 3 15.670 -11.535 10.311 1.00 0.00 C ATOM 22 O SER A 3 14.963 -10.697 9.753 1.00 0.00 O ATOM 23 CB SER A 3 17.844 -12.458 9.484 1.00 0.00 C ATOM 24 OG SER A 3 18.522 -13.700 9.425 1.00 0.00 O ATOM 0 H SER A 3 15.907 -11.855 7.627 1.00 0.00 H new ATOM 0 HA SER A 3 16.106 -13.606 10.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.115 -11.851 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.161 -11.909 10.371 1.00 0.00 H new ATOM 0 HG SER A 3 19.489 -13.544 9.403 1.00 0.00 H new ATOM 30 N GLY A 4 15.910 -11.524 11.619 1.00 0.00 N ATOM 31 CA GLY A 4 15.335 -10.498 12.470 1.00 0.00 C ATOM 32 C GLY A 4 15.469 -9.110 11.876 1.00 0.00 C ATOM 33 O GLY A 4 16.536 -8.734 11.392 1.00 0.00 O ATOM 0 H GLY A 4 16.492 -12.207 12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.281 -10.718 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.824 -10.522 13.444 1.00 0.00 H new ATOM 37 N SER A 5 14.382 -8.346 11.912 1.00 0.00 N ATOM 38 CA SER A 5 14.380 -6.993 11.368 1.00 0.00 C ATOM 39 C SER A 5 13.873 -5.992 12.402 1.00 0.00 C ATOM 40 O SER A 5 14.476 -4.940 12.612 1.00 0.00 O ATOM 41 CB SER A 5 13.513 -6.927 10.109 1.00 0.00 C ATOM 42 OG SER A 5 13.893 -7.923 9.176 1.00 0.00 O ATOM 0 H SER A 5 13.491 -8.641 12.312 1.00 0.00 H new ATOM 0 HA SER A 5 15.406 -6.732 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.465 -7.057 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.605 -5.942 9.652 1.00 0.00 H new ATOM 0 HG SER A 5 13.323 -7.861 8.381 1.00 0.00 H new ATOM 48 N SER A 6 12.760 -6.329 13.045 1.00 0.00 N ATOM 49 CA SER A 6 12.168 -5.459 14.055 1.00 0.00 C ATOM 50 C SER A 6 11.532 -6.280 15.174 1.00 0.00 C ATOM 51 O SER A 6 11.278 -7.473 15.016 1.00 0.00 O ATOM 52 CB SER A 6 11.119 -4.545 13.419 1.00 0.00 C ATOM 53 OG SER A 6 11.697 -3.724 12.419 1.00 0.00 O ATOM 0 H SER A 6 12.250 -7.198 12.885 1.00 0.00 H new ATOM 0 HA SER A 6 12.962 -4.847 14.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.323 -5.148 12.983 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.662 -3.921 14.187 1.00 0.00 H new ATOM 0 HG SER A 6 11.006 -3.150 12.027 1.00 0.00 H new ATOM 59 N GLY A 7 11.278 -5.629 16.305 1.00 0.00 N ATOM 60 CA GLY A 7 10.675 -6.313 17.434 1.00 0.00 C ATOM 61 C GLY A 7 10.692 -5.474 18.696 1.00 0.00 C ATOM 62 O GLY A 7 11.754 -5.055 19.156 1.00 0.00 O ATOM 0 H GLY A 7 11.479 -4.641 16.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.646 -6.574 17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.207 -7.247 17.615 1.00 0.00 H new ATOM 66 N GLU A 8 9.512 -5.226 19.257 1.00 0.00 N ATOM 67 CA GLU A 8 9.396 -4.429 20.472 1.00 0.00 C ATOM 68 C GLU A 8 9.657 -2.953 20.182 1.00 0.00 C ATOM 69 O GLU A 8 10.363 -2.265 20.919 1.00 0.00 O ATOM 70 CB GLU A 8 10.377 -4.932 21.533 1.00 0.00 C ATOM 71 CG GLU A 8 10.404 -6.445 21.668 1.00 0.00 C ATOM 72 CD GLU A 8 9.427 -6.956 22.709 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.247 -7.168 22.360 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.842 -7.143 23.872 1.00 0.00 O ATOM 0 H GLU A 8 8.623 -5.566 18.889 1.00 0.00 H new ATOM 0 HA GLU A 8 8.378 -4.533 20.849 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.378 -4.580 21.286 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.114 -4.494 22.496 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.170 -6.896 20.704 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.412 -6.764 21.933 1.00 0.00 H new ATOM 81 N PRO A 9 9.074 -2.455 19.081 1.00 0.00 N ATOM 82 CA PRO A 9 9.228 -1.057 18.667 1.00 0.00 C ATOM 83 C PRO A 9 8.508 -0.093 19.604 1.00 0.00 C ATOM 84 O PRO A 9 7.508 -0.448 20.227 1.00 0.00 O ATOM 85 CB PRO A 9 8.590 -1.027 17.276 1.00 0.00 C ATOM 86 CG PRO A 9 7.616 -2.154 17.281 1.00 0.00 C ATOM 87 CD PRO A 9 8.218 -3.218 18.157 1.00 0.00 C ATOM 0 HA PRO A 9 10.271 -0.740 18.680 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.093 -0.075 17.089 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.339 -1.155 16.494 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.649 -1.832 17.667 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.448 -2.529 16.271 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.452 -3.780 18.691 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.795 -3.938 17.576 1.00 0.00 H new ATOM 95 N ALA A 10 9.024 1.128 19.699 1.00 0.00 N ATOM 96 CA ALA A 10 8.429 2.145 20.558 1.00 0.00 C ATOM 97 C ALA A 10 6.977 2.407 20.173 1.00 0.00 C ATOM 98 O ALA A 10 6.551 2.090 19.062 1.00 0.00 O ATOM 99 CB ALA A 10 9.236 3.433 20.489 1.00 0.00 C ATOM 0 H ALA A 10 9.853 1.437 19.192 1.00 0.00 H new ATOM 0 HA ALA A 10 8.445 1.774 21.583 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.780 4.183 21.135 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.257 3.241 20.820 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.250 3.799 19.462 1.00 0.00 H new ATOM 105 N HIS A 11 6.220 2.987 21.099 1.00 0.00 N ATOM 106 CA HIS A 11 4.814 3.292 20.856 1.00 0.00 C ATOM 107 C HIS A 11 4.669 4.382 19.799 1.00 0.00 C ATOM 108 O HIS A 11 3.917 4.232 18.837 1.00 0.00 O ATOM 109 CB HIS A 11 4.134 3.730 22.154 1.00 0.00 C ATOM 110 CG HIS A 11 4.848 4.842 22.858 1.00 0.00 C ATOM 111 ND1 HIS A 11 4.379 6.139 22.885 1.00 0.00 N ATOM 112 CD2 HIS A 11 6.002 4.846 23.566 1.00 0.00 C ATOM 113 CE1 HIS A 11 5.215 6.892 23.577 1.00 0.00 C ATOM 114 NE2 HIS A 11 6.208 6.132 24.002 1.00 0.00 N ATOM 0 H HIS A 11 6.556 3.255 22.024 1.00 0.00 H new ATOM 0 HA HIS A 11 4.330 2.387 20.488 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.115 4.047 21.932 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.063 2.873 22.824 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.642 3.996 23.753 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.105 7.950 23.764 1.00 0.00 H new ATOM 0 HE2 HIS A 11 6.999 6.449 24.563 1.00 0.00 H new ATOM 122 N GLY A 12 5.395 5.481 19.985 1.00 0.00 N ATOM 123 CA GLY A 12 5.332 6.580 19.041 1.00 0.00 C ATOM 124 C GLY A 12 4.113 7.457 19.251 1.00 0.00 C ATOM 125 O GLY A 12 3.067 6.981 19.693 1.00 0.00 O ATOM 0 H GLY A 12 6.025 5.629 20.773 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.233 7.187 19.134 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.319 6.183 18.026 1.00 0.00 H new ATOM 129 N ARG A 13 4.248 8.741 18.935 1.00 0.00 N ATOM 130 CA ARG A 13 3.149 9.686 19.095 1.00 0.00 C ATOM 131 C ARG A 13 2.494 9.990 17.751 1.00 0.00 C ATOM 132 O ARG A 13 1.472 10.673 17.690 1.00 0.00 O ATOM 133 CB ARG A 13 3.652 10.981 19.735 1.00 0.00 C ATOM 134 CG ARG A 13 2.648 12.121 19.673 1.00 0.00 C ATOM 135 CD ARG A 13 3.125 13.327 20.467 1.00 0.00 C ATOM 136 NE ARG A 13 4.083 14.132 19.715 1.00 0.00 N ATOM 137 CZ ARG A 13 4.122 15.459 19.758 1.00 0.00 C ATOM 138 NH1 ARG A 13 3.261 16.127 20.514 1.00 0.00 N ATOM 139 NH2 ARG A 13 5.024 16.122 19.046 1.00 0.00 N ATOM 0 H ARG A 13 5.107 9.150 18.567 1.00 0.00 H new ATOM 0 HA ARG A 13 2.404 9.232 19.748 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.905 10.787 20.777 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.571 11.290 19.236 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.486 12.409 18.634 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.688 11.783 20.063 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.268 13.943 20.740 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.585 12.991 21.396 1.00 0.00 H new ATOM 0 HE ARG A 13 4.760 13.649 19.124 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.567 15.622 21.064 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.293 17.146 20.545 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.689 15.613 18.464 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.052 17.141 19.080 1.00 0.00 H new ATOM 153 N GLN A 14 3.090 9.479 16.679 1.00 0.00 N ATOM 154 CA GLN A 14 2.564 9.698 15.337 1.00 0.00 C ATOM 155 C GLN A 14 1.743 8.500 14.872 1.00 0.00 C ATOM 156 O GLN A 14 2.172 7.353 14.999 1.00 0.00 O ATOM 157 CB GLN A 14 3.708 9.959 14.355 1.00 0.00 C ATOM 158 CG GLN A 14 4.716 8.824 14.279 1.00 0.00 C ATOM 159 CD GLN A 14 5.700 8.839 15.432 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.113 9.902 15.897 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.081 7.657 15.901 1.00 0.00 N ATOM 0 H GLN A 14 3.937 8.911 16.713 1.00 0.00 H new ATOM 0 HA GLN A 14 1.913 10.572 15.367 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.292 10.131 13.362 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.224 10.873 14.647 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.185 7.872 14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.263 8.891 13.339 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.714 6.801 15.486 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.741 7.605 16.677 1.00 0.00 H new ATOM 170 N HIS A 15 0.559 8.774 14.333 1.00 0.00 N ATOM 171 CA HIS A 15 -0.323 7.718 13.848 1.00 0.00 C ATOM 172 C HIS A 15 -0.785 8.007 12.423 1.00 0.00 C ATOM 173 O HIS A 15 -0.954 9.164 12.036 1.00 0.00 O ATOM 174 CB HIS A 15 -1.534 7.573 14.770 1.00 0.00 C ATOM 175 CG HIS A 15 -1.172 7.291 16.196 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.317 8.088 16.927 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.555 6.292 17.025 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.189 7.591 18.144 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.931 6.502 18.230 1.00 0.00 N ATOM 0 H HIS A 15 0.188 9.718 14.221 1.00 0.00 H new ATOM 0 HA HIS A 15 0.237 6.783 13.846 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.124 8.489 14.728 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.168 6.768 14.399 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.226 5.481 16.784 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.419 8.005 18.935 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.025 5.913 19.057 1.00 0.00 H new ATOM 187 N THR A 16 -0.986 6.948 11.645 1.00 0.00 N ATOM 188 CA THR A 16 -1.426 7.088 10.263 1.00 0.00 C ATOM 189 C THR A 16 -2.720 6.319 10.017 1.00 0.00 C ATOM 190 O THR A 16 -2.809 5.115 10.254 1.00 0.00 O ATOM 191 CB THR A 16 -0.352 6.590 9.278 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.745 6.886 7.933 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.132 5.092 9.429 1.00 0.00 C ATOM 0 H THR A 16 -0.851 5.984 11.949 1.00 0.00 H new ATOM 0 HA THR A 16 -1.600 8.151 10.093 1.00 0.00 H new ATOM 0 HB THR A 16 0.583 7.103 9.504 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.036 7.183 7.422 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.631 4.763 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.196 4.873 10.445 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.065 4.565 9.227 1.00 0.00 H new ATOM 201 N PRO A 17 -3.748 7.030 9.530 1.00 0.00 N ATOM 202 CA PRO A 17 -5.056 6.435 9.241 1.00 0.00 C ATOM 203 C PRO A 17 -5.011 5.494 8.042 1.00 0.00 C ATOM 204 O PRO A 17 -4.047 5.492 7.276 1.00 0.00 O ATOM 205 CB PRO A 17 -5.938 7.647 8.936 1.00 0.00 C ATOM 206 CG PRO A 17 -4.991 8.697 8.466 1.00 0.00 C ATOM 207 CD PRO A 17 -3.713 8.470 9.225 1.00 0.00 C ATOM 0 HA PRO A 17 -5.418 5.825 10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.681 7.414 8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.483 7.973 9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.826 8.621 7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.387 9.694 8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.839 8.733 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.672 9.072 10.133 1.00 0.00 H new ATOM 215 N CYS A 18 -6.061 4.694 7.883 1.00 0.00 N ATOM 216 CA CYS A 18 -6.142 3.748 6.777 1.00 0.00 C ATOM 217 C CYS A 18 -6.593 4.446 5.497 1.00 0.00 C ATOM 218 O CYS A 18 -7.127 5.555 5.536 1.00 0.00 O ATOM 219 CB CYS A 18 -7.109 2.613 7.120 1.00 0.00 C ATOM 220 SG CYS A 18 -7.111 1.248 5.913 1.00 0.00 S ATOM 0 H CYS A 18 -6.868 4.683 8.507 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.148 3.332 6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.852 2.215 8.102 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.118 3.019 7.195 1.00 0.00 H new ATOM 225 N LEU A 19 -6.375 3.788 4.364 1.00 0.00 N ATOM 226 CA LEU A 19 -6.758 4.344 3.070 1.00 0.00 C ATOM 227 C LEU A 19 -8.209 4.005 2.741 1.00 0.00 C ATOM 228 O LEU A 19 -8.966 4.857 2.275 1.00 0.00 O ATOM 229 CB LEU A 19 -5.836 3.813 1.971 1.00 0.00 C ATOM 230 CG LEU A 19 -4.336 3.902 2.253 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.012 5.171 3.026 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.864 2.674 3.018 1.00 0.00 C ATOM 0 H LEU A 19 -5.935 2.869 4.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.660 5.428 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.089 2.769 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.046 4.361 1.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.808 3.937 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.940 5.217 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.314 6.040 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.550 5.167 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.794 2.754 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.399 2.608 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.061 1.779 2.427 1.00 0.00 H new ATOM 244 N PHE A 20 -8.590 2.756 2.987 1.00 0.00 N ATOM 245 CA PHE A 20 -9.950 2.304 2.717 1.00 0.00 C ATOM 246 C PHE A 20 -10.895 2.724 3.840 1.00 0.00 C ATOM 247 O PHE A 20 -11.997 3.213 3.589 1.00 0.00 O ATOM 248 CB PHE A 20 -9.982 0.784 2.551 1.00 0.00 C ATOM 249 CG PHE A 20 -9.056 0.278 1.482 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.461 0.239 0.158 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.780 -0.158 1.801 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.611 -0.226 -0.828 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.925 -0.624 0.820 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.341 -0.657 -0.496 1.00 0.00 C ATOM 0 H PHE A 20 -7.976 2.039 3.373 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.284 2.770 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.718 0.317 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.000 0.474 2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.452 0.576 -0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.449 -0.133 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.939 -0.252 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.933 -0.962 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.675 -1.019 -1.265 1.00 0.00 H new ATOM 264 N CYS A 21 -10.455 2.530 5.078 1.00 0.00 N ATOM 265 CA CYS A 21 -11.260 2.887 6.240 1.00 0.00 C ATOM 266 C CYS A 21 -10.615 4.030 7.019 1.00 0.00 C ATOM 267 O CYS A 21 -9.604 4.590 6.595 1.00 0.00 O ATOM 268 CB CYS A 21 -11.442 1.672 7.153 1.00 0.00 C ATOM 269 SG CYS A 21 -9.946 1.211 8.085 1.00 0.00 S ATOM 0 H CYS A 21 -9.545 2.127 5.303 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.237 3.218 5.886 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.247 1.878 7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.757 0.821 6.549 1.00 0.00 H new ATOM 274 N ASP A 22 -11.207 4.370 8.159 1.00 0.00 N ATOM 275 CA ASP A 22 -10.690 5.445 8.998 1.00 0.00 C ATOM 276 C ASP A 22 -10.067 4.887 10.274 1.00 0.00 C ATOM 277 O ASP A 22 -10.370 5.345 11.375 1.00 0.00 O ATOM 278 CB ASP A 22 -11.806 6.429 9.348 1.00 0.00 C ATOM 279 CG ASP A 22 -12.041 7.453 8.255 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.512 7.061 7.166 1.00 0.00 O ATOM 281 OD2 ASP A 22 -11.754 8.645 8.488 1.00 0.00 O ATOM 0 H ASP A 22 -12.045 3.917 8.523 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.917 5.970 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.729 5.878 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.555 6.943 10.276 1.00 0.00 H new ATOM 286 N ARG A 23 -9.197 3.894 10.117 1.00 0.00 N ATOM 287 CA ARG A 23 -8.534 3.272 11.256 1.00 0.00 C ATOM 288 C ARG A 23 -7.117 3.812 11.422 1.00 0.00 C ATOM 289 O ARG A 23 -6.307 3.756 10.496 1.00 0.00 O ATOM 290 CB ARG A 23 -8.495 1.753 11.083 1.00 0.00 C ATOM 291 CG ARG A 23 -9.834 1.077 11.332 1.00 0.00 C ATOM 292 CD ARG A 23 -9.747 -0.426 11.119 1.00 0.00 C ATOM 293 NE ARG A 23 -10.823 -1.139 11.802 1.00 0.00 N ATOM 294 CZ ARG A 23 -12.095 -1.088 11.424 1.00 0.00 C ATOM 295 NH1 ARG A 23 -12.449 -0.361 10.372 1.00 0.00 N ATOM 296 NH2 ARG A 23 -13.017 -1.765 12.097 1.00 0.00 N ATOM 0 H ARG A 23 -8.935 3.503 9.212 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.104 3.514 12.153 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.162 1.519 10.072 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.755 1.337 11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.163 1.283 12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.585 1.498 10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.788 -0.644 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.785 -0.788 11.481 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.584 -1.708 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.743 0.160 9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.427 -0.323 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.749 -2.326 12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.994 -1.725 11.805 1.00 0.00 H new ATOM 310 N LEU A 24 -6.824 4.336 12.607 1.00 0.00 N ATOM 311 CA LEU A 24 -5.504 4.887 12.895 1.00 0.00 C ATOM 312 C LEU A 24 -4.543 3.792 13.346 1.00 0.00 C ATOM 313 O LEU A 24 -4.936 2.853 14.038 1.00 0.00 O ATOM 314 CB LEU A 24 -5.605 5.968 13.972 1.00 0.00 C ATOM 315 CG LEU A 24 -6.193 7.308 13.526 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.516 8.177 14.732 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.231 8.027 12.591 1.00 0.00 C ATOM 0 H LEU A 24 -7.482 4.391 13.384 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.115 5.331 11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.213 5.582 14.790 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.607 6.147 14.373 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.119 7.115 12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.933 9.126 14.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.241 7.666 15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.605 8.363 15.301 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.665 8.978 12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.289 8.208 13.108 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.049 7.410 11.711 1.00 0.00 H new ATOM 329 N PHE A 25 -3.281 3.920 12.950 1.00 0.00 N ATOM 330 CA PHE A 25 -2.263 2.942 13.315 1.00 0.00 C ATOM 331 C PHE A 25 -0.968 3.634 13.731 1.00 0.00 C ATOM 332 O PHE A 25 -0.521 4.579 13.083 1.00 0.00 O ATOM 333 CB PHE A 25 -1.994 1.994 12.144 1.00 0.00 C ATOM 334 CG PHE A 25 -3.210 1.235 11.696 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.139 1.824 10.853 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.424 -0.068 12.116 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.259 1.128 10.440 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.542 -0.769 11.706 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.460 -0.170 10.866 1.00 0.00 C ATOM 0 H PHE A 25 -2.939 4.691 12.377 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.635 2.366 14.162 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.604 2.569 11.304 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.218 1.284 12.432 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.986 2.838 10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.708 -0.541 12.772 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.977 1.599 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.698 -1.784 12.042 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.334 -0.716 10.543 1.00 0.00 H new ATOM 349 N ALA A 26 -0.372 3.156 14.818 1.00 0.00 N ATOM 350 CA ALA A 26 0.872 3.726 15.321 1.00 0.00 C ATOM 351 C ALA A 26 1.852 3.995 14.184 1.00 0.00 C ATOM 352 O ALA A 26 2.339 5.114 14.024 1.00 0.00 O ATOM 353 CB ALA A 26 1.499 2.800 16.352 1.00 0.00 C ATOM 0 H ALA A 26 -0.731 2.375 15.368 1.00 0.00 H new ATOM 0 HA ALA A 26 0.639 4.678 15.798 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.427 3.239 16.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.809 2.662 17.185 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.711 1.834 15.893 1.00 0.00 H new ATOM 359 N SER A 27 2.137 2.962 13.398 1.00 0.00 N ATOM 360 CA SER A 27 3.062 3.087 12.278 1.00 0.00 C ATOM 361 C SER A 27 2.379 2.717 10.965 1.00 0.00 C ATOM 362 O SER A 27 1.218 2.311 10.949 1.00 0.00 O ATOM 363 CB SER A 27 4.285 2.194 12.498 1.00 0.00 C ATOM 364 OG SER A 27 5.000 2.586 13.658 1.00 0.00 O ATOM 0 H SER A 27 1.741 2.030 13.516 1.00 0.00 H new ATOM 0 HA SER A 27 3.385 4.127 12.220 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.968 1.156 12.596 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.940 2.247 11.628 1.00 0.00 H new ATOM 0 HG SER A 27 5.776 1.999 13.778 1.00 0.00 H new ATOM 370 N ALA A 28 3.110 2.863 9.864 1.00 0.00 N ATOM 371 CA ALA A 28 2.576 2.543 8.546 1.00 0.00 C ATOM 372 C ALA A 28 2.402 1.037 8.374 1.00 0.00 C ATOM 373 O ALA A 28 1.322 0.565 8.021 1.00 0.00 O ATOM 374 CB ALA A 28 3.486 3.098 7.459 1.00 0.00 C ATOM 0 H ALA A 28 4.073 3.200 9.859 1.00 0.00 H new ATOM 0 HA ALA A 28 1.594 3.008 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.075 2.852 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.556 4.181 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.479 2.659 7.557 1.00 0.00 H new ATOM 380 N GLU A 29 3.472 0.290 8.626 1.00 0.00 N ATOM 381 CA GLU A 29 3.436 -1.162 8.498 1.00 0.00 C ATOM 382 C GLU A 29 2.160 -1.731 9.111 1.00 0.00 C ATOM 383 O GLU A 29 1.548 -2.645 8.559 1.00 0.00 O ATOM 384 CB GLU A 29 4.661 -1.786 9.170 1.00 0.00 C ATOM 385 CG GLU A 29 5.947 -1.604 8.382 1.00 0.00 C ATOM 386 CD GLU A 29 7.155 -2.177 9.097 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.014 -3.230 9.752 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.243 -1.571 9.001 1.00 0.00 O ATOM 0 H GLU A 29 4.374 0.666 8.920 1.00 0.00 H new ATOM 0 HA GLU A 29 3.449 -1.408 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.786 -1.346 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.482 -2.851 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.844 -2.084 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.109 -0.542 8.198 1.00 0.00 H new ATOM 395 N GLU A 30 1.766 -1.184 10.257 1.00 0.00 N ATOM 396 CA GLU A 30 0.564 -1.638 10.946 1.00 0.00 C ATOM 397 C GLU A 30 -0.642 -1.611 10.011 1.00 0.00 C ATOM 398 O GLU A 30 -1.352 -2.607 9.865 1.00 0.00 O ATOM 399 CB GLU A 30 0.292 -0.765 12.173 1.00 0.00 C ATOM 400 CG GLU A 30 1.095 -1.170 13.398 1.00 0.00 C ATOM 401 CD GLU A 30 0.702 -2.536 13.928 1.00 0.00 C ATOM 402 OE1 GLU A 30 -0.414 -2.660 14.475 1.00 0.00 O ATOM 403 OE2 GLU A 30 1.509 -3.479 13.796 1.00 0.00 O ATOM 0 H GLU A 30 2.261 -0.427 10.727 1.00 0.00 H new ATOM 0 HA GLU A 30 0.728 -2.666 11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.518 0.273 11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.770 -0.812 12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.156 -1.173 13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.955 -0.426 14.182 1.00 0.00 H new ATOM 410 N THR A 31 -0.868 -0.463 9.380 1.00 0.00 N ATOM 411 CA THR A 31 -1.988 -0.305 8.461 1.00 0.00 C ATOM 412 C THR A 31 -1.925 -1.329 7.335 1.00 0.00 C ATOM 413 O THR A 31 -2.811 -2.174 7.200 1.00 0.00 O ATOM 414 CB THR A 31 -2.019 1.110 7.852 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.836 2.090 8.880 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.336 1.361 7.134 1.00 0.00 C ATOM 0 H THR A 31 -0.290 0.371 9.489 1.00 0.00 H new ATOM 0 HA THR A 31 -2.897 -0.464 9.041 1.00 0.00 H new ATOM 0 HB THR A 31 -1.208 1.188 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.608 2.079 9.484 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.335 2.366 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.459 0.632 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.160 1.265 7.841 1.00 0.00 H new ATOM 424 N PHE A 32 -0.872 -1.251 6.528 1.00 0.00 N ATOM 425 CA PHE A 32 -0.693 -2.172 5.412 1.00 0.00 C ATOM 426 C PHE A 32 -1.128 -3.583 5.797 1.00 0.00 C ATOM 427 O PHE A 32 -2.031 -4.154 5.185 1.00 0.00 O ATOM 428 CB PHE A 32 0.769 -2.183 4.961 1.00 0.00 C ATOM 429 CG PHE A 32 1.181 -0.935 4.233 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.388 -0.413 3.224 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.360 -0.284 4.558 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.765 0.735 2.552 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.742 0.864 3.890 1.00 0.00 C ATOM 434 CZ PHE A 32 1.942 1.375 2.886 1.00 0.00 C ATOM 0 H PHE A 32 -0.129 -0.559 6.626 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.318 -1.830 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.409 -2.313 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.935 -3.044 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.535 -0.908 2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.988 -0.678 5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.139 1.131 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.664 1.361 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.237 2.273 2.364 1.00 0.00 H new ATOM 444 N SER A 33 -0.479 -4.139 6.815 1.00 0.00 N ATOM 445 CA SER A 33 -0.795 -5.485 7.279 1.00 0.00 C ATOM 446 C SER A 33 -2.290 -5.630 7.549 1.00 0.00 C ATOM 447 O SER A 33 -2.903 -6.635 7.190 1.00 0.00 O ATOM 448 CB SER A 33 -0.003 -5.809 8.547 1.00 0.00 C ATOM 449 OG SER A 33 0.164 -7.208 8.700 1.00 0.00 O ATOM 0 H SER A 33 0.269 -3.678 7.334 1.00 0.00 H new ATOM 0 HA SER A 33 -0.515 -6.188 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.973 -5.326 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.521 -5.404 9.416 1.00 0.00 H new ATOM 0 HG SER A 33 0.675 -7.389 9.517 1.00 0.00 H new ATOM 455 N HIS A 34 -2.871 -4.617 8.184 1.00 0.00 N ATOM 456 CA HIS A 34 -4.294 -4.629 8.503 1.00 0.00 C ATOM 457 C HIS A 34 -5.134 -4.750 7.234 1.00 0.00 C ATOM 458 O HIS A 34 -6.088 -5.527 7.181 1.00 0.00 O ATOM 459 CB HIS A 34 -4.680 -3.361 9.264 1.00 0.00 C ATOM 460 CG HIS A 34 -6.072 -2.890 8.977 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.197 -3.547 9.428 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.518 -1.817 8.282 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.275 -2.901 9.021 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.890 -1.847 8.324 1.00 0.00 N ATOM 0 H HIS A 34 -2.378 -3.777 8.488 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.492 -5.496 9.134 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.581 -3.545 10.334 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.977 -2.567 9.011 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.197 -4.399 9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.908 -1.076 7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.297 -3.186 9.224 1.00 0.00 H new ATOM 472 N CYS A 35 -4.773 -3.977 6.216 1.00 0.00 N ATOM 473 CA CYS A 35 -5.494 -3.996 4.948 1.00 0.00 C ATOM 474 C CYS A 35 -5.281 -5.320 4.222 1.00 0.00 C ATOM 475 O CYS A 35 -6.124 -5.752 3.435 1.00 0.00 O ATOM 476 CB CYS A 35 -5.040 -2.835 4.062 1.00 0.00 C ATOM 477 SG CYS A 35 -5.153 -1.214 4.854 1.00 0.00 S ATOM 0 H CYS A 35 -3.986 -3.329 6.244 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.557 -3.886 5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.008 -3.007 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.644 -2.827 3.155 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.368 -1.020 5.274 1.00 0.00 H new ATOM 483 N LYS A 36 -4.148 -5.960 4.490 1.00 0.00 N ATOM 484 CA LYS A 36 -3.823 -7.236 3.862 1.00 0.00 C ATOM 485 C LYS A 36 -4.644 -8.367 4.472 1.00 0.00 C ATOM 486 O LYS A 36 -4.842 -9.410 3.847 1.00 0.00 O ATOM 487 CB LYS A 36 -2.330 -7.536 4.014 1.00 0.00 C ATOM 488 CG LYS A 36 -1.487 -7.028 2.856 1.00 0.00 C ATOM 489 CD LYS A 36 -0.011 -7.318 3.072 1.00 0.00 C ATOM 490 CE LYS A 36 0.688 -6.160 3.769 1.00 0.00 C ATOM 491 NZ LYS A 36 0.961 -5.034 2.834 1.00 0.00 N ATOM 0 H LYS A 36 -3.439 -5.616 5.138 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.067 -7.164 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.970 -7.086 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.192 -8.613 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.819 -7.497 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.635 -5.954 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.100 -8.223 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.468 -7.509 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.069 -5.806 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.626 -6.509 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.818 -4.530 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.102 -5.407 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.154 -4.378 2.836 1.00 0.00 H new ATOM 505 N LEU A 37 -5.120 -8.155 5.694 1.00 0.00 N ATOM 506 CA LEU A 37 -5.921 -9.157 6.388 1.00 0.00 C ATOM 507 C LEU A 37 -7.411 -8.867 6.231 1.00 0.00 C ATOM 508 O LEU A 37 -8.210 -9.776 6.010 1.00 0.00 O ATOM 509 CB LEU A 37 -5.551 -9.197 7.871 1.00 0.00 C ATOM 510 CG LEU A 37 -4.073 -9.427 8.188 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.679 -8.691 9.459 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.781 -10.915 8.319 1.00 0.00 C ATOM 0 H LEU A 37 -4.965 -7.298 6.225 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.710 -10.129 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.857 -8.256 8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.132 -9.986 8.349 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.479 -9.031 7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.624 -8.866 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.850 -7.622 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.280 -9.056 10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.725 -11.060 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.385 -11.335 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.024 -11.417 7.383 1.00 0.00 H new ATOM 524 N GLU A 38 -7.775 -7.594 6.345 1.00 0.00 N ATOM 525 CA GLU A 38 -9.169 -7.184 6.214 1.00 0.00 C ATOM 526 C GLU A 38 -9.506 -6.858 4.762 1.00 0.00 C ATOM 527 O GLU A 38 -10.288 -7.561 4.122 1.00 0.00 O ATOM 528 CB GLU A 38 -9.452 -5.970 7.101 1.00 0.00 C ATOM 529 CG GLU A 38 -9.259 -6.240 8.584 1.00 0.00 C ATOM 530 CD GLU A 38 -10.446 -6.949 9.207 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.020 -7.838 8.544 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.800 -6.615 10.356 1.00 0.00 O ATOM 0 H GLU A 38 -7.125 -6.829 6.528 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.797 -8.014 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.798 -5.151 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.476 -5.638 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.364 -6.845 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.091 -5.296 9.103 1.00 0.00 H new ATOM 539 N HIS A 39 -8.912 -5.785 4.250 1.00 0.00 N ATOM 540 CA HIS A 39 -9.149 -5.364 2.873 1.00 0.00 C ATOM 541 C HIS A 39 -8.422 -6.280 1.893 1.00 0.00 C ATOM 542 O HIS A 39 -8.472 -6.070 0.681 1.00 0.00 O ATOM 543 CB HIS A 39 -8.692 -3.919 2.674 1.00 0.00 C ATOM 544 CG HIS A 39 -9.303 -2.958 3.647 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.626 -3.015 4.031 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.763 -1.913 4.317 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.874 -2.046 4.893 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.760 -1.362 5.084 1.00 0.00 N ATOM 0 H HIS A 39 -8.263 -5.191 4.767 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.219 -5.428 2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.607 -3.874 2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.941 -3.604 1.660 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.307 -3.699 3.701 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.739 -1.575 4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.826 -1.846 5.362 1.00 0.00 H new ATOM 556 N GLN A 40 -7.748 -7.293 2.425 1.00 0.00 N ATOM 557 CA GLN A 40 -7.010 -8.239 1.596 1.00 0.00 C ATOM 558 C GLN A 40 -6.361 -7.533 0.410 1.00 0.00 C ATOM 559 O GLN A 40 -6.353 -8.052 -0.706 1.00 0.00 O ATOM 560 CB GLN A 40 -7.939 -9.347 1.099 1.00 0.00 C ATOM 561 CG GLN A 40 -9.119 -8.834 0.289 1.00 0.00 C ATOM 562 CD GLN A 40 -9.928 -9.953 -0.337 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.652 -11.132 -0.117 1.00 0.00 O ATOM 564 NE2 GLN A 40 -10.935 -9.588 -1.122 1.00 0.00 N ATOM 0 H GLN A 40 -7.697 -7.480 3.426 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.223 -8.681 2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.365 -10.044 0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.313 -9.907 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.766 -8.240 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.755 -8.171 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.128 -8.599 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.515 -10.297 -1.570 1.00 0.00 H new ATOM 573 N PHE A 41 -5.818 -6.346 0.660 1.00 0.00 N ATOM 574 CA PHE A 41 -5.168 -5.567 -0.388 1.00 0.00 C ATOM 575 C PHE A 41 -3.684 -5.381 -0.086 1.00 0.00 C ATOM 576 O PHE A 41 -3.314 -4.859 0.965 1.00 0.00 O ATOM 577 CB PHE A 41 -5.845 -4.203 -0.534 1.00 0.00 C ATOM 578 CG PHE A 41 -4.943 -3.143 -1.096 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.773 -3.013 -2.465 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.264 -2.275 -0.255 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.942 -2.038 -2.985 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.432 -1.298 -0.769 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.272 -1.179 -2.136 1.00 0.00 C ATOM 0 H PHE A 41 -5.815 -5.903 1.579 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.264 -6.115 -1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.717 -4.306 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.208 -3.880 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.296 -3.681 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.386 -2.363 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.817 -1.948 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.908 -0.629 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.624 -0.415 -2.540 1.00 0.00 H new ATOM 593 N ASN A 42 -2.838 -5.813 -1.016 1.00 0.00 N ATOM 594 CA ASN A 42 -1.394 -5.695 -0.849 1.00 0.00 C ATOM 595 C ASN A 42 -0.873 -4.419 -1.503 1.00 0.00 C ATOM 596 O ASN A 42 -1.155 -4.148 -2.671 1.00 0.00 O ATOM 597 CB ASN A 42 -0.690 -6.913 -1.450 1.00 0.00 C ATOM 598 CG ASN A 42 -0.590 -8.065 -0.469 1.00 0.00 C ATOM 599 OD1 ASN A 42 0.506 -8.485 -0.097 1.00 0.00 O ATOM 600 ND2 ASN A 42 -1.737 -8.583 -0.045 1.00 0.00 N ATOM 0 H ASN A 42 -3.127 -6.248 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.179 -5.649 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.231 -7.241 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.311 -6.628 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.732 -9.360 0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.623 -8.203 -0.380 1.00 0.00 H new ATOM 607 N ILE A 43 -0.112 -3.639 -0.742 1.00 0.00 N ATOM 608 CA ILE A 43 0.449 -2.393 -1.248 1.00 0.00 C ATOM 609 C ILE A 43 1.724 -2.647 -2.045 1.00 0.00 C ATOM 610 O ILE A 43 1.926 -2.071 -3.114 1.00 0.00 O ATOM 611 CB ILE A 43 0.759 -1.410 -0.104 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.243 -0.072 -0.668 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.799 -2.002 0.835 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.157 0.720 -1.362 1.00 0.00 C ATOM 0 H ILE A 43 0.130 -3.848 0.227 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.303 -1.951 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.156 -1.234 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.656 0.527 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.054 -0.256 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.008 -1.296 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.419 -2.932 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.716 -2.203 0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.572 1.656 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.240 0.140 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.644 0.935 -0.655 1.00 0.00 H new ATOM 626 N ASP A 44 2.581 -3.515 -1.517 1.00 0.00 N ATOM 627 CA ASP A 44 3.836 -3.849 -2.180 1.00 0.00 C ATOM 628 C ASP A 44 3.586 -4.330 -3.606 1.00 0.00 C ATOM 629 O ASP A 44 4.278 -3.924 -4.539 1.00 0.00 O ATOM 630 CB ASP A 44 4.585 -4.923 -1.390 1.00 0.00 C ATOM 631 CG ASP A 44 4.574 -4.658 0.102 1.00 0.00 C ATOM 632 OD1 ASP A 44 4.722 -3.482 0.497 1.00 0.00 O ATOM 633 OD2 ASP A 44 4.415 -5.625 0.876 1.00 0.00 O ATOM 0 H ASP A 44 2.429 -4.000 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 44 4.447 -2.948 -2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.134 -5.895 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.616 -4.974 -1.739 1.00 0.00 H new ATOM 638 N SER A 45 2.593 -5.199 -3.767 1.00 0.00 N ATOM 639 CA SER A 45 2.255 -5.740 -5.078 1.00 0.00 C ATOM 640 C SER A 45 1.988 -4.617 -6.076 1.00 0.00 C ATOM 641 O SER A 45 2.335 -4.722 -7.252 1.00 0.00 O ATOM 642 CB SER A 45 1.030 -6.651 -4.977 1.00 0.00 C ATOM 643 OG SER A 45 0.989 -7.572 -6.054 1.00 0.00 O ATOM 0 H SER A 45 2.008 -5.543 -3.005 1.00 0.00 H new ATOM 0 HA SER A 45 3.104 -6.324 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.053 -7.193 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.123 -6.047 -4.976 1.00 0.00 H new ATOM 0 HG SER A 45 0.198 -8.144 -5.966 1.00 0.00 H new ATOM 649 N MET A 46 1.367 -3.544 -5.597 1.00 0.00 N ATOM 650 CA MET A 46 1.054 -2.401 -6.447 1.00 0.00 C ATOM 651 C MET A 46 2.327 -1.688 -6.891 1.00 0.00 C ATOM 652 O MET A 46 2.458 -1.295 -8.051 1.00 0.00 O ATOM 653 CB MET A 46 0.141 -1.422 -5.705 1.00 0.00 C ATOM 654 CG MET A 46 -1.189 -2.029 -5.288 1.00 0.00 C ATOM 655 SD MET A 46 -2.205 -2.511 -6.698 1.00 0.00 S ATOM 656 CE MET A 46 -2.716 -0.908 -7.311 1.00 0.00 C ATOM 0 H MET A 46 1.071 -3.442 -4.626 1.00 0.00 H new ATOM 0 HA MET A 46 0.537 -2.770 -7.333 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.658 -1.056 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.047 -0.558 -6.343 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.005 -2.902 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.737 -1.310 -4.679 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.800 -0.818 -7.235 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.244 -0.124 -6.718 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.416 -0.805 -8.354 1.00 0.00 H new ATOM 666 N VAL A 47 3.264 -1.525 -5.962 1.00 0.00 N ATOM 667 CA VAL A 47 4.527 -0.860 -6.259 1.00 0.00 C ATOM 668 C VAL A 47 5.243 -1.535 -7.424 1.00 0.00 C ATOM 669 O VAL A 47 5.846 -0.869 -8.266 1.00 0.00 O ATOM 670 CB VAL A 47 5.459 -0.853 -5.033 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.798 -0.220 -5.383 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.804 -0.125 -3.869 1.00 0.00 C ATOM 0 H VAL A 47 3.172 -1.844 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 47 4.287 0.168 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 47 5.640 -1.885 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.443 -0.224 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.271 -0.789 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.640 0.807 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.477 -0.130 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.591 0.904 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.874 -0.627 -3.603 1.00 0.00 H new ATOM 682 N HIS A 48 5.171 -2.862 -7.466 1.00 0.00 N ATOM 683 CA HIS A 48 5.812 -3.628 -8.530 1.00 0.00 C ATOM 684 C HIS A 48 4.906 -3.720 -9.754 1.00 0.00 C ATOM 685 O HIS A 48 5.381 -3.767 -10.889 1.00 0.00 O ATOM 686 CB HIS A 48 6.164 -5.031 -8.035 1.00 0.00 C ATOM 687 CG HIS A 48 7.312 -5.056 -7.073 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.622 -4.868 -7.460 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.341 -5.247 -5.733 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.407 -4.944 -6.400 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.654 -5.173 -5.339 1.00 0.00 N ATOM 0 H HIS A 48 4.676 -3.428 -6.777 1.00 0.00 H new ATOM 0 HA HIS A 48 6.728 -3.111 -8.816 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.289 -5.468 -7.555 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.405 -5.660 -8.892 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.489 -5.425 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.482 -4.837 -6.401 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.993 -5.278 -4.383 1.00 0.00 H new ATOM 699 N LYS A 49 3.599 -3.747 -9.516 1.00 0.00 N ATOM 700 CA LYS A 49 2.626 -3.833 -10.599 1.00 0.00 C ATOM 701 C LYS A 49 2.830 -2.706 -11.605 1.00 0.00 C ATOM 702 O LYS A 49 3.205 -2.946 -12.754 1.00 0.00 O ATOM 703 CB LYS A 49 1.203 -3.779 -10.038 1.00 0.00 C ATOM 704 CG LYS A 49 0.160 -4.373 -10.968 1.00 0.00 C ATOM 705 CD LYS A 49 -1.246 -3.954 -10.570 1.00 0.00 C ATOM 706 CE LYS A 49 -2.290 -4.551 -11.501 1.00 0.00 C ATOM 707 NZ LYS A 49 -2.500 -6.002 -11.242 1.00 0.00 N ATOM 0 H LYS A 49 3.189 -3.711 -8.583 1.00 0.00 H new ATOM 0 HA LYS A 49 2.773 -4.784 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.176 -4.312 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.943 -2.741 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.360 -4.054 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.235 -5.460 -10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.445 -4.272 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.321 -2.867 -10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.234 -4.020 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.978 -4.408 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.219 -6.371 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.606 -6.513 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.823 -6.137 -10.262 1.00 0.00 H new ATOM 721 N HIS A 50 2.583 -1.475 -11.167 1.00 0.00 N ATOM 722 CA HIS A 50 2.742 -0.310 -12.030 1.00 0.00 C ATOM 723 C HIS A 50 4.055 0.410 -11.734 1.00 0.00 C ATOM 724 O HIS A 50 4.184 1.609 -11.974 1.00 0.00 O ATOM 725 CB HIS A 50 1.568 0.651 -11.847 1.00 0.00 C ATOM 726 CG HIS A 50 0.235 0.030 -12.132 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.248 -0.160 -13.410 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.717 -0.447 -11.297 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.441 -0.725 -13.347 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.748 -0.911 -12.076 1.00 0.00 N ATOM 0 H HIS A 50 2.272 -1.259 -10.220 1.00 0.00 H new ATOM 0 HA HIS A 50 2.762 -0.655 -13.064 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.573 1.027 -10.824 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.707 1.510 -12.503 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.674 -0.460 -10.218 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.060 -0.990 -14.192 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.611 -1.331 -11.730 1.00 0.00 H new ATOM 738 N GLY A 51 5.026 -0.332 -11.212 1.00 0.00 N ATOM 739 CA GLY A 51 6.315 0.252 -10.891 1.00 0.00 C ATOM 740 C GLY A 51 6.190 1.635 -10.283 1.00 0.00 C ATOM 741 O GLY A 51 6.629 2.623 -10.873 1.00 0.00 O ATOM 0 H GLY A 51 4.943 -1.327 -11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.843 -0.401 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.920 0.310 -11.796 1.00 0.00 H new ATOM 745 N LEU A 52 5.587 1.707 -9.101 1.00 0.00 N ATOM 746 CA LEU A 52 5.403 2.980 -8.413 1.00 0.00 C ATOM 747 C LEU A 52 6.734 3.519 -7.898 1.00 0.00 C ATOM 748 O LEU A 52 7.149 3.210 -6.781 1.00 0.00 O ATOM 749 CB LEU A 52 4.423 2.816 -7.250 1.00 0.00 C ATOM 750 CG LEU A 52 3.054 2.234 -7.604 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.232 2.001 -6.345 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.314 3.156 -8.562 1.00 0.00 C ATOM 0 H LEU A 52 5.217 0.899 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 52 4.995 3.695 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.885 2.175 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.272 3.791 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 52 3.205 1.274 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.261 1.587 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.756 1.302 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.090 2.947 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.342 2.726 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.174 4.130 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.896 3.273 -9.476 1.00 0.00 H new ATOM 764 N GLU A 53 7.398 4.326 -8.720 1.00 0.00 N ATOM 765 CA GLU A 53 8.682 4.908 -8.346 1.00 0.00 C ATOM 766 C GLU A 53 8.551 5.742 -7.075 1.00 0.00 C ATOM 767 O GLU A 53 7.464 5.869 -6.512 1.00 0.00 O ATOM 768 CB GLU A 53 9.224 5.774 -9.485 1.00 0.00 C ATOM 769 CG GLU A 53 9.721 4.972 -10.676 1.00 0.00 C ATOM 770 CD GLU A 53 8.612 4.633 -11.654 1.00 0.00 C ATOM 771 OE1 GLU A 53 7.613 5.379 -11.701 1.00 0.00 O ATOM 772 OE2 GLU A 53 8.746 3.620 -12.372 1.00 0.00 O ATOM 0 H GLU A 53 7.068 4.591 -9.648 1.00 0.00 H new ATOM 0 HA GLU A 53 9.381 4.093 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.440 6.454 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.040 6.389 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.496 5.538 -11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.182 4.050 -10.322 1.00 0.00 H new ATOM 779 N PHE A 54 9.668 6.309 -6.630 1.00 0.00 N ATOM 780 CA PHE A 54 9.680 7.130 -5.425 1.00 0.00 C ATOM 781 C PHE A 54 8.409 7.969 -5.325 1.00 0.00 C ATOM 782 O PHE A 54 7.700 7.924 -4.320 1.00 0.00 O ATOM 783 CB PHE A 54 10.909 8.041 -5.415 1.00 0.00 C ATOM 784 CG PHE A 54 10.815 9.164 -4.422 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.873 8.909 -3.061 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.668 10.474 -4.849 1.00 0.00 C ATOM 787 CE1 PHE A 54 10.787 9.940 -2.144 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.582 11.508 -3.937 1.00 0.00 C ATOM 789 CZ PHE A 54 10.641 11.241 -2.583 1.00 0.00 C ATOM 0 H PHE A 54 10.576 6.215 -7.086 1.00 0.00 H new ATOM 0 HA PHE A 54 9.723 6.465 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.793 7.443 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.050 8.459 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.987 7.893 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.620 10.689 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.834 9.728 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.469 12.525 -4.283 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.573 12.048 -1.869 1.00 0.00 H new ATOM 799 N TYR A 55 8.129 8.733 -6.375 1.00 0.00 N ATOM 800 CA TYR A 55 6.947 9.586 -6.406 1.00 0.00 C ATOM 801 C TYR A 55 5.696 8.770 -6.718 1.00 0.00 C ATOM 802 O TYR A 55 4.670 8.905 -6.052 1.00 0.00 O ATOM 803 CB TYR A 55 7.119 10.695 -7.445 1.00 0.00 C ATOM 804 CG TYR A 55 7.874 11.898 -6.927 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.435 12.588 -5.804 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.028 12.343 -7.560 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.122 13.688 -5.328 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.722 13.442 -7.090 1.00 0.00 C ATOM 809 CZ TYR A 55 9.265 14.111 -5.974 1.00 0.00 C ATOM 810 OH TYR A 55 9.953 15.205 -5.502 1.00 0.00 O ATOM 0 H TYR A 55 8.704 8.779 -7.216 1.00 0.00 H new ATOM 0 HA TYR A 55 6.829 10.037 -5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.644 10.292 -8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.135 11.014 -7.789 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.541 12.259 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.389 11.821 -8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.766 14.214 -4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.617 13.775 -7.594 1.00 0.00 H new ATOM 0 HH TYR A 55 10.735 15.370 -6.070 1.00 0.00 H new ATOM 820 N GLY A 56 5.790 7.922 -7.738 1.00 0.00 N ATOM 821 CA GLY A 56 4.660 7.096 -8.122 1.00 0.00 C ATOM 822 C GLY A 56 3.896 6.565 -6.925 1.00 0.00 C ATOM 823 O GLY A 56 2.685 6.757 -6.818 1.00 0.00 O ATOM 0 H GLY A 56 6.628 7.792 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.986 7.678 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.014 6.259 -8.724 1.00 0.00 H new ATOM 827 N TYR A 57 4.605 5.894 -6.024 1.00 0.00 N ATOM 828 CA TYR A 57 3.985 5.330 -4.830 1.00 0.00 C ATOM 829 C TYR A 57 3.229 6.401 -4.051 1.00 0.00 C ATOM 830 O TYR A 57 2.068 6.215 -3.685 1.00 0.00 O ATOM 831 CB TYR A 57 5.045 4.686 -3.936 1.00 0.00 C ATOM 832 CG TYR A 57 4.597 4.499 -2.504 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.809 3.414 -2.138 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.960 5.406 -1.517 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.397 3.239 -0.832 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.554 5.239 -0.208 1.00 0.00 C ATOM 837 CZ TYR A 57 3.772 4.154 0.130 1.00 0.00 C ATOM 838 OH TYR A 57 3.363 3.984 1.433 1.00 0.00 O ATOM 0 H TYR A 57 5.609 5.727 -6.097 1.00 0.00 H new ATOM 0 HA TYR A 57 3.274 4.567 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.319 3.716 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.943 5.303 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.514 2.695 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.571 6.257 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.785 2.391 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.847 5.954 0.547 1.00 0.00 H new ATOM 0 HH TYR A 57 3.803 4.649 2.003 1.00 0.00 H new ATOM 848 N ILE A 58 3.895 7.524 -3.802 1.00 0.00 N ATOM 849 CA ILE A 58 3.286 8.626 -3.068 1.00 0.00 C ATOM 850 C ILE A 58 1.886 8.928 -3.591 1.00 0.00 C ATOM 851 O ILE A 58 0.945 9.100 -2.815 1.00 0.00 O ATOM 852 CB ILE A 58 4.142 9.904 -3.159 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.518 9.667 -2.533 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.435 11.064 -2.475 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.498 10.791 -2.787 1.00 0.00 C ATOM 0 H ILE A 58 4.856 7.694 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 58 3.222 8.314 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 58 4.281 10.158 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.401 9.534 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.932 8.739 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.052 11.960 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.476 11.243 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.270 10.821 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.452 10.556 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.644 10.910 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.105 11.718 -2.369 1.00 0.00 H new ATOM 867 N LYS A 59 1.753 8.988 -4.911 1.00 0.00 N ATOM 868 CA LYS A 59 0.467 9.265 -5.540 1.00 0.00 C ATOM 869 C LYS A 59 -0.540 8.163 -5.228 1.00 0.00 C ATOM 870 O LYS A 59 -1.738 8.420 -5.100 1.00 0.00 O ATOM 871 CB LYS A 59 0.636 9.402 -7.055 1.00 0.00 C ATOM 872 CG LYS A 59 1.597 10.505 -7.463 1.00 0.00 C ATOM 873 CD LYS A 59 1.581 10.731 -8.965 1.00 0.00 C ATOM 874 CE LYS A 59 2.817 11.486 -9.428 1.00 0.00 C ATOM 875 NZ LYS A 59 3.073 11.293 -10.883 1.00 0.00 N ATOM 0 H LYS A 59 2.521 8.848 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 59 0.088 10.204 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.991 8.454 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.338 9.596 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.329 11.430 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.606 10.246 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.527 9.771 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.687 11.291 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.693 12.549 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.683 11.148 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.028 10.904 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.372 10.632 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.998 12.207 -11.373 1.00 0.00 H new ATOM 889 N LEU A 60 -0.047 6.935 -5.104 1.00 0.00 N ATOM 890 CA LEU A 60 -0.905 5.793 -4.805 1.00 0.00 C ATOM 891 C LEU A 60 -1.607 5.977 -3.463 1.00 0.00 C ATOM 892 O LEU A 60 -2.826 5.830 -3.365 1.00 0.00 O ATOM 893 CB LEU A 60 -0.083 4.503 -4.790 1.00 0.00 C ATOM 894 CG LEU A 60 -0.873 3.206 -4.622 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.209 2.970 -3.158 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.141 3.241 -5.463 1.00 0.00 C ATOM 0 H LEU A 60 0.941 6.705 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.663 5.725 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.480 4.444 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.645 4.569 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.253 2.379 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.772 2.042 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.288 2.899 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.809 3.800 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.691 2.309 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.764 4.078 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.877 3.361 -6.514 1.00 0.00 H new ATOM 908 N ILE A 61 -0.832 6.301 -2.434 1.00 0.00 N ATOM 909 CA ILE A 61 -1.381 6.509 -1.100 1.00 0.00 C ATOM 910 C ILE A 61 -2.418 7.627 -1.100 1.00 0.00 C ATOM 911 O ILE A 61 -3.602 7.389 -0.867 1.00 0.00 O ATOM 912 CB ILE A 61 -0.275 6.848 -0.083 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.698 5.677 0.055 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.886 7.199 1.265 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.044 4.401 0.536 1.00 0.00 C ATOM 0 H ILE A 61 0.178 6.425 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.859 5.575 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 61 0.279 7.714 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.170 5.492 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.491 5.954 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.092 7.436 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.543 8.062 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.462 6.351 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.794 3.613 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.404 4.569 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.730 4.100 -0.170 1.00 0.00 H new ATOM 927 N ASN A 62 -1.963 8.848 -1.364 1.00 0.00 N ATOM 928 CA ASN A 62 -2.852 10.003 -1.396 1.00 0.00 C ATOM 929 C ASN A 62 -4.084 9.720 -2.250 1.00 0.00 C ATOM 930 O ASN A 62 -5.205 10.066 -1.877 1.00 0.00 O ATOM 931 CB ASN A 62 -2.112 11.227 -1.939 1.00 0.00 C ATOM 932 CG ASN A 62 -1.145 11.814 -0.929 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.367 11.732 0.279 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.064 12.409 -1.421 1.00 0.00 N ATOM 0 H ASN A 62 -0.985 9.062 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.179 10.206 -0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.566 10.948 -2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.837 11.988 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.623 12.821 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.079 12.453 -2.430 1.00 0.00 H new ATOM 941 N PHE A 63 -3.867 9.086 -3.398 1.00 0.00 N ATOM 942 CA PHE A 63 -4.959 8.755 -4.306 1.00 0.00 C ATOM 943 C PHE A 63 -6.148 8.181 -3.541 1.00 0.00 C ATOM 944 O PHE A 63 -7.255 8.716 -3.601 1.00 0.00 O ATOM 945 CB PHE A 63 -4.487 7.755 -5.363 1.00 0.00 C ATOM 946 CG PHE A 63 -5.598 7.217 -6.218 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.234 8.028 -7.143 1.00 0.00 C ATOM 948 CD2 PHE A 63 -6.007 5.898 -6.096 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.257 7.536 -7.932 1.00 0.00 C ATOM 950 CE2 PHE A 63 -7.029 5.400 -6.882 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.655 6.220 -7.801 1.00 0.00 C ATOM 0 H PHE A 63 -2.945 8.791 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.277 9.673 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.748 8.237 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.986 6.924 -4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.927 9.058 -7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.522 5.253 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.744 8.180 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.338 4.370 -6.778 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.454 5.833 -8.416 1.00 0.00 H new ATOM 961 N ILE A 64 -5.910 7.088 -2.824 1.00 0.00 N ATOM 962 CA ILE A 64 -6.960 6.441 -2.047 1.00 0.00 C ATOM 963 C ILE A 64 -7.494 7.371 -0.963 1.00 0.00 C ATOM 964 O ILE A 64 -8.642 7.247 -0.535 1.00 0.00 O ATOM 965 CB ILE A 64 -6.455 5.142 -1.391 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.762 4.256 -2.428 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.608 4.397 -0.736 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.224 2.964 -1.856 1.00 0.00 C ATOM 0 H ILE A 64 -5.000 6.632 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.764 6.199 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.730 5.401 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.468 4.025 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.941 4.813 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.235 3.481 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.061 5.028 0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.355 4.147 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.746 2.387 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.494 3.187 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.044 2.386 -1.429 1.00 0.00 H new ATOM 980 N ARG A 65 -6.655 8.303 -0.525 1.00 0.00 N ATOM 981 CA ARG A 65 -7.043 9.255 0.508 1.00 0.00 C ATOM 982 C ARG A 65 -8.042 10.272 -0.036 1.00 0.00 C ATOM 983 O ARG A 65 -8.936 10.725 0.681 1.00 0.00 O ATOM 984 CB ARG A 65 -5.810 9.979 1.054 1.00 0.00 C ATOM 985 CG ARG A 65 -4.759 9.043 1.628 1.00 0.00 C ATOM 986 CD ARG A 65 -5.211 8.442 2.950 1.00 0.00 C ATOM 987 NE ARG A 65 -4.085 8.157 3.835 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.219 7.655 5.058 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.425 7.385 5.538 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.146 7.423 5.803 1.00 0.00 N ATOM 0 H ARG A 65 -5.702 8.419 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.519 8.700 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.362 10.569 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.123 10.679 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.553 8.244 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.826 9.588 1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.896 9.130 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.764 7.522 2.760 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.144 8.354 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.252 7.563 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.526 7.000 6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.217 7.630 5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.250 7.038 6.742 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.886 10.625 -1.307 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.774 11.588 -1.948 1.00 0.00 C ATOM 1006 C LEU A 66 -9.983 10.890 -2.562 1.00 0.00 C ATOM 1007 O LEU A 66 -11.125 11.160 -2.192 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.020 12.369 -3.026 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.673 13.670 -3.493 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.614 14.682 -3.902 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.631 13.403 -4.645 1.00 0.00 C ATOM 0 H LEU A 66 -7.153 10.259 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.127 12.282 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.024 12.601 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.890 11.720 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.243 14.086 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.098 15.602 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.968 14.897 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.017 14.274 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.086 14.340 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.084 12.963 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.410 12.714 -4.318 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.723 9.987 -3.502 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.789 9.245 -4.166 1.00 0.00 C ATOM 1025 C LYS A 67 -11.558 8.386 -3.168 1.00 0.00 C ATOM 1026 O LYS A 67 -12.775 8.506 -3.040 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.209 8.363 -5.275 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.895 9.120 -6.553 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.163 9.561 -7.266 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.871 10.031 -8.683 1.00 0.00 C ATOM 1031 NZ LYS A 67 -12.093 10.022 -9.533 1.00 0.00 N ATOM 0 H LYS A 67 -8.783 9.751 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.480 9.965 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.298 7.888 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.916 7.565 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.285 9.993 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.305 8.487 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.872 8.734 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.636 10.367 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.457 11.039 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.113 9.388 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.852 10.349 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.474 9.056 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.807 10.655 -9.121 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.838 7.520 -2.461 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.454 6.642 -1.473 1.00 0.00 C ATOM 1047 C ASN A 68 -12.229 5.517 -2.153 1.00 0.00 C ATOM 1048 O ASN A 68 -13.359 5.198 -1.784 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.387 7.441 -0.561 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.707 6.705 0.726 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -13.778 6.114 0.866 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.777 6.737 1.673 1.00 0.00 N ATOM 0 H ASN A 68 -9.828 7.408 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.660 6.200 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.925 8.399 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.314 7.657 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.936 6.259 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.904 7.239 1.513 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.608 4.901 -3.170 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.220 3.802 -3.922 1.00 0.00 C ATOM 1061 C PRO A 69 -12.338 2.527 -3.093 1.00 0.00 C ATOM 1062 O PRO A 69 -12.127 2.541 -1.880 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.255 3.592 -5.091 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.943 4.093 -4.595 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.260 5.230 -3.663 1.00 0.00 C ATOM 0 HA PRO A 69 -13.239 4.036 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.196 2.540 -5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.579 4.140 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.395 3.306 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.316 4.429 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.539 5.295 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.244 6.190 -4.180 1.00 0.00 H new ATOM 1073 N THR A 70 -12.676 1.425 -3.755 1.00 0.00 N ATOM 1074 CA THR A 70 -12.823 0.142 -3.079 1.00 0.00 C ATOM 1075 C THR A 70 -11.811 -0.872 -3.599 1.00 0.00 C ATOM 1076 O THR A 70 -11.411 -0.825 -4.763 1.00 0.00 O ATOM 1077 CB THR A 70 -14.243 -0.428 -3.259 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.365 -1.668 -2.553 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.557 -0.644 -4.731 1.00 0.00 C ATOM 0 H THR A 70 -12.853 1.395 -4.759 1.00 0.00 H new ATOM 0 HA THR A 70 -12.643 0.320 -2.019 1.00 0.00 H new ATOM 0 HB THR A 70 -14.954 0.292 -2.855 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.271 -2.024 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.565 -1.047 -4.833 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.491 0.307 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.841 -1.347 -5.157 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.399 -1.789 -2.730 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.434 -2.817 -3.103 1.00 0.00 C ATOM 1089 C VAL A 71 -10.693 -3.328 -4.516 1.00 0.00 C ATOM 1090 O VAL A 71 -9.849 -3.188 -5.400 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.474 -4.006 -2.124 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.539 -5.112 -2.588 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.117 -3.549 -0.717 1.00 0.00 C ATOM 0 H VAL A 71 -11.718 -1.841 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.448 -2.355 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.488 -4.405 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.581 -5.943 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.845 -5.457 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.519 -4.730 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.150 -4.401 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.114 -3.123 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.831 -2.795 -0.387 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.866 -3.919 -4.720 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.236 -4.451 -6.026 1.00 0.00 C ATOM 1105 C GLU A 72 -11.662 -3.588 -7.147 1.00 0.00 C ATOM 1106 O GLU A 72 -11.006 -4.091 -8.059 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.758 -4.531 -6.157 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.346 -5.832 -5.636 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.784 -5.681 -5.181 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.152 -4.573 -4.737 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.542 -6.670 -5.268 1.00 0.00 O ATOM 0 H GLU A 72 -12.576 -4.041 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.819 -5.454 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.205 -3.697 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.031 -4.413 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.294 -6.589 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.741 -6.192 -4.804 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.916 -2.286 -7.071 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.429 -1.353 -8.080 1.00 0.00 C ATOM 1120 C TYR A 73 -9.905 -1.363 -8.141 1.00 0.00 C ATOM 1121 O TYR A 73 -9.316 -1.476 -9.216 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.929 0.061 -7.780 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.345 1.116 -8.693 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.960 1.440 -9.896 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.179 1.790 -8.351 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.429 2.402 -10.733 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.642 2.755 -9.181 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.271 3.057 -10.371 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.740 4.017 -11.202 1.00 0.00 O ATOM 0 H TYR A 73 -12.456 -1.853 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.815 -1.670 -9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.015 0.079 -7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.687 0.312 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.869 0.931 -10.182 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.684 1.555 -7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.918 2.640 -11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.735 3.270 -8.900 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.554 4.830 -10.687 1.00 0.00 H new ATOM 1139 N MET A 74 -9.272 -1.245 -6.978 1.00 0.00 N ATOM 1140 CA MET A 74 -7.816 -1.243 -6.898 1.00 0.00 C ATOM 1141 C MET A 74 -7.227 -2.426 -7.660 1.00 0.00 C ATOM 1142 O MET A 74 -6.155 -2.322 -8.253 1.00 0.00 O ATOM 1143 CB MET A 74 -7.364 -1.288 -5.437 1.00 0.00 C ATOM 1144 CG MET A 74 -7.625 0.005 -4.680 1.00 0.00 C ATOM 1145 SD MET A 74 -6.941 1.449 -5.516 1.00 0.00 S ATOM 1146 CE MET A 74 -5.186 1.153 -5.322 1.00 0.00 C ATOM 0 H MET A 74 -9.744 -1.150 -6.079 1.00 0.00 H new ATOM 0 HA MET A 74 -7.454 -0.322 -7.355 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.878 -2.106 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.298 -1.511 -5.402 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.700 0.138 -4.555 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.194 -0.070 -3.681 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.728 2.002 -4.814 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.032 0.250 -4.730 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.728 1.026 -6.303 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.937 -3.550 -7.640 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.484 -4.752 -8.329 1.00 0.00 C ATOM 1158 C ASN A 75 -7.606 -4.591 -9.841 1.00 0.00 C ATOM 1159 O ASN A 75 -6.890 -5.239 -10.605 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.293 -5.966 -7.867 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.798 -6.522 -6.546 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.593 -6.600 -6.305 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.729 -6.913 -5.683 1.00 0.00 N ATOM 0 H ASN A 75 -8.828 -3.653 -7.154 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.434 -4.908 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.342 -5.685 -7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.241 -6.745 -8.628 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.457 -7.296 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.716 -6.830 -5.925 1.00 0.00 H new ATOM 1170 N SER A 76 -8.517 -3.722 -10.267 1.00 0.00 N ATOM 1171 CA SER A 76 -8.735 -3.478 -11.688 1.00 0.00 C ATOM 1172 C SER A 76 -8.287 -2.071 -12.072 1.00 0.00 C ATOM 1173 O SER A 76 -9.102 -1.154 -12.172 1.00 0.00 O ATOM 1174 CB SER A 76 -10.212 -3.668 -12.039 1.00 0.00 C ATOM 1175 OG SER A 76 -10.419 -3.580 -13.438 1.00 0.00 O ATOM 0 H SER A 76 -9.116 -3.175 -9.648 1.00 0.00 H new ATOM 0 HA SER A 76 -8.140 -4.197 -12.251 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.553 -4.638 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.810 -2.911 -11.531 1.00 0.00 H new ATOM 0 HG SER A 76 -11.370 -3.706 -13.636 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.986 -1.910 -12.287 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.429 -0.616 -12.661 1.00 0.00 C ATOM 1183 C ILE A 77 -5.634 -0.714 -13.959 1.00 0.00 C ATOM 1184 O ILE A 77 -4.939 -1.702 -14.201 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.516 -0.054 -11.555 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.265 -0.005 -10.222 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.011 1.329 -11.937 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -5.433 0.535 -9.081 1.00 0.00 C ATOM 0 H ILE A 77 -6.298 -2.659 -12.209 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.272 0.060 -12.803 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.656 -0.715 -11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.155 0.614 -10.337 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.606 -1.009 -9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.367 1.713 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.445 1.266 -12.866 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.858 2.001 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.028 0.541 -8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.556 -0.097 -8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.114 1.551 -9.313 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.739 0.316 -14.791 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.031 0.346 -16.065 1.00 0.00 C ATOM 1202 C TYR A 78 -4.318 1.681 -16.260 1.00 0.00 C ATOM 1203 O TYR A 78 -4.488 2.610 -15.472 1.00 0.00 O ATOM 1204 CB TYR A 78 -6.004 0.101 -17.219 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.696 -1.241 -17.153 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.862 -1.409 -16.417 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -6.183 -2.343 -17.827 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.497 -2.634 -16.353 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -6.813 -3.571 -17.770 1.00 0.00 C ATOM 1210 CZ TYR A 78 -7.969 -3.712 -17.032 1.00 0.00 C ATOM 1211 OH TYR A 78 -8.598 -4.934 -16.972 1.00 0.00 O ATOM 0 H TYR A 78 -6.308 1.142 -14.606 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.283 -0.447 -16.055 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.757 0.889 -17.222 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.462 0.175 -18.162 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.280 -0.567 -15.885 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.277 -2.237 -18.405 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.402 -2.747 -15.774 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.402 -4.417 -18.301 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.098 -5.586 -17.506 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.518 1.767 -17.318 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.777 2.987 -17.619 1.00 0.00 C ATOM 1223 C ASN A 79 -3.503 3.818 -18.673 1.00 0.00 C ATOM 1224 O ASN A 79 -4.056 3.293 -19.640 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.367 2.646 -18.105 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.529 3.884 -18.361 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.266 4.294 -17.516 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.704 4.484 -19.533 1.00 0.00 N ATOM 0 H ASN A 79 -3.366 1.007 -17.981 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.706 3.574 -16.704 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.871 2.022 -17.362 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.433 2.059 -19.021 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.168 5.321 -19.763 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.375 4.108 -20.203 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.502 5.146 -18.484 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.848 5.781 -17.336 1.00 0.00 C ATOM 1237 C PRO A 80 -3.572 5.496 -16.025 1.00 0.00 C ATOM 1238 O PRO A 80 -4.790 5.318 -16.003 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.915 7.273 -17.671 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.087 7.405 -18.581 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.140 6.129 -19.375 1.00 0.00 C ATOM 0 HA PRO A 80 -1.835 5.408 -17.187 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.042 7.875 -16.772 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.999 7.612 -18.154 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.007 7.551 -18.014 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.977 8.269 -19.237 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.165 5.848 -19.615 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.605 6.221 -20.320 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.815 5.455 -14.933 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.386 5.193 -13.617 1.00 0.00 C ATOM 1251 C VAL A 81 -4.229 6.370 -13.139 1.00 0.00 C ATOM 1252 O VAL A 81 -3.997 7.522 -13.507 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.287 4.907 -12.575 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.464 3.696 -12.987 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.399 6.128 -12.390 1.00 0.00 C ATOM 0 H VAL A 81 -1.805 5.600 -14.934 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.020 4.312 -13.717 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.763 4.685 -11.620 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.693 3.509 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.113 2.824 -13.065 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.995 3.886 -13.952 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.628 5.909 -11.651 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.929 6.383 -13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.003 6.968 -12.047 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.233 6.076 -12.299 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.131 7.097 -11.752 1.00 0.00 C ATOM 1267 C PRO A 82 -5.431 8.010 -10.752 1.00 0.00 C ATOM 1268 O PRO A 82 -6.049 8.904 -10.175 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.219 6.276 -11.056 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.561 4.983 -10.719 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.568 4.725 -11.819 1.00 0.00 C ATOM 0 HA PRO A 82 -6.510 7.763 -12.527 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.583 6.780 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.079 6.124 -11.709 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.065 5.039 -9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.293 4.177 -10.657 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.687 4.200 -11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.996 4.112 -12.612 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.138 7.779 -10.551 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.354 8.581 -9.620 1.00 0.00 C ATOM 1281 C TRP A 83 -2.185 9.254 -10.332 1.00 0.00 C ATOM 1282 O TRP A 83 -1.210 9.656 -9.698 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.836 7.710 -8.474 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.851 6.671 -8.917 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.547 6.874 -9.269 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.092 5.266 -9.057 1.00 0.00 C ATOM 1287 NE1 TRP A 83 0.037 5.681 -9.619 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.889 4.679 -9.496 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.205 4.447 -8.851 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.772 3.312 -9.734 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.087 3.091 -9.088 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -1.878 2.534 -9.525 1.00 0.00 C ATOM 0 H TRP A 83 -3.611 7.043 -11.021 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.002 9.357 -9.213 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.368 8.348 -7.725 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.680 7.218 -7.991 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.048 7.832 -9.272 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.004 5.561 -9.922 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.141 4.866 -8.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 0.159 2.881 -10.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.942 2.449 -8.934 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.818 1.470 -9.700 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.290 9.372 -11.652 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.240 9.996 -12.448 1.00 0.00 C ATOM 1305 C GLU A 84 -1.406 11.513 -12.474 1.00 0.00 C ATOM 1306 O GLU A 84 -1.168 12.157 -13.496 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.257 9.446 -13.876 1.00 0.00 C ATOM 1308 CG GLU A 84 -0.085 8.531 -14.190 1.00 0.00 C ATOM 1309 CD GLU A 84 1.224 9.284 -14.319 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.848 9.571 -13.276 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.625 9.586 -15.462 1.00 0.00 O ATOM 0 H GLU A 84 -3.091 9.044 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.281 9.760 -11.987 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.187 8.899 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.254 10.280 -14.578 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.007 7.782 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.285 7.996 -15.118 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.815 12.077 -11.343 1.00 0.00 N ATOM 1319 CA LYS A 85 -2.012 13.517 -11.233 1.00 0.00 C ATOM 1320 C LYS A 85 -0.970 14.140 -10.310 1.00 0.00 C ATOM 1321 O LYS A 85 -0.525 13.514 -9.348 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.418 13.822 -10.712 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.521 13.139 -11.502 1.00 0.00 C ATOM 1324 CD LYS A 85 -5.821 13.923 -11.436 1.00 0.00 C ATOM 1325 CE LYS A 85 -6.869 13.345 -12.376 1.00 0.00 C ATOM 1326 NZ LYS A 85 -8.018 14.273 -12.563 1.00 0.00 N ATOM 0 H LYS A 85 -2.017 11.558 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.897 13.951 -12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.485 13.513 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.579 14.900 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.212 13.032 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.681 12.134 -11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.202 13.913 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.633 14.965 -11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.412 13.133 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.229 12.396 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.710 13.843 -13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.470 14.456 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.678 15.170 -12.966 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.586 15.377 -10.608 1.00 0.00 N ATOM 1341 CA ASP A 86 0.402 16.085 -9.803 1.00 0.00 C ATOM 1342 C ASP A 86 -0.167 16.441 -8.434 1.00 0.00 C ATOM 1343 O ASP A 86 0.497 16.270 -7.412 1.00 0.00 O ATOM 1344 CB ASP A 86 0.863 17.354 -10.523 1.00 0.00 C ATOM 1345 CG ASP A 86 -0.208 18.426 -10.549 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -1.340 18.123 -10.981 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.086 19.569 -10.140 1.00 0.00 O ATOM 0 H ASP A 86 -0.944 15.909 -11.401 1.00 0.00 H new ATOM 0 HA ASP A 86 1.258 15.426 -9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.753 17.745 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.149 17.105 -11.545 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.400 16.938 -8.422 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.057 17.320 -7.177 1.00 0.00 C ATOM 1354 C GLU A 87 -1.936 16.211 -6.135 1.00 0.00 C ATOM 1355 O GLU A 87 -1.816 16.479 -4.940 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.532 17.638 -7.430 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.343 16.438 -7.889 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.812 16.765 -8.079 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.113 17.853 -8.612 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.660 15.932 -7.695 1.00 0.00 O ATOM 0 H GLU A 87 -1.964 17.085 -9.259 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.561 18.211 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.972 18.035 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.602 18.423 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.933 16.065 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.245 15.636 -7.157 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.968 14.967 -6.598 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.865 13.817 -5.708 1.00 0.00 C ATOM 1369 C TYR A 88 -0.549 13.842 -4.936 1.00 0.00 C ATOM 1370 O TYR A 88 -0.505 13.513 -3.750 1.00 0.00 O ATOM 1371 CB TYR A 88 -1.977 12.516 -6.505 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.398 12.150 -6.870 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.418 12.219 -5.929 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.721 11.735 -8.156 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.718 11.886 -6.258 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.018 11.400 -8.494 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.013 11.477 -7.541 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.305 11.143 -7.874 1.00 0.00 O ATOM 0 H TYR A 88 -2.065 14.729 -7.585 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.686 13.869 -4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.388 12.607 -7.418 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.540 11.705 -5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.191 12.539 -4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.945 11.673 -8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.499 11.946 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.252 11.080 -9.499 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.410 10.169 -7.842 1.00 0.00 H new ATOM 1388 N LEU A 89 0.521 14.235 -5.617 1.00 0.00 N ATOM 1389 CA LEU A 89 1.840 14.305 -4.998 1.00 0.00 C ATOM 1390 C LEU A 89 1.754 14.918 -3.604 1.00 0.00 C ATOM 1391 O LEU A 89 2.477 14.516 -2.691 1.00 0.00 O ATOM 1392 CB LEU A 89 2.792 15.124 -5.870 1.00 0.00 C ATOM 1393 CG LEU A 89 3.262 14.454 -7.162 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.838 15.486 -8.119 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.290 13.373 -6.859 1.00 0.00 C ATOM 0 H LEU A 89 0.501 14.510 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 89 2.226 13.290 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.300 16.062 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.670 15.378 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 89 2.401 13.986 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.167 14.991 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.073 16.224 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.687 15.984 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.613 12.907 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.150 13.819 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.844 12.618 -6.211 1.00 0.00 H new ATOM 1407 N LYS A 90 0.865 15.893 -3.445 1.00 0.00 N ATOM 1408 CA LYS A 90 0.682 16.560 -2.162 1.00 0.00 C ATOM 1409 C LYS A 90 0.012 15.630 -1.155 1.00 0.00 C ATOM 1410 O LYS A 90 -0.888 14.859 -1.489 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.159 17.827 -2.338 1.00 0.00 C ATOM 1412 CG LYS A 90 0.640 19.023 -2.826 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.252 20.052 -3.500 1.00 0.00 C ATOM 1414 CE LYS A 90 -1.149 20.757 -2.494 1.00 0.00 C ATOM 1415 NZ LYS A 90 -0.368 21.606 -1.554 1.00 0.00 N ATOM 0 H LYS A 90 0.260 16.239 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 90 1.666 16.833 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.963 17.624 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.628 18.077 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.157 19.484 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.405 18.689 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.365 20.787 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.866 19.563 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.874 21.375 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.714 20.016 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.008 22.268 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.102 21.002 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.349 22.142 -2.084 1.00 0.00 H new ATOM 1429 N PRO A 91 0.459 15.702 0.107 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.084 14.874 1.188 1.00 0.00 C ATOM 1431 C PRO A 91 -1.506 15.274 1.565 1.00 0.00 C ATOM 1432 O PRO A 91 -1.726 16.321 2.175 1.00 0.00 O ATOM 1433 CB PRO A 91 0.873 15.139 2.353 1.00 0.00 C ATOM 1434 CG PRO A 91 1.446 16.485 2.074 1.00 0.00 C ATOM 1435 CD PRO A 91 1.530 16.597 0.577 1.00 0.00 C ATOM 0 HA PRO A 91 -0.150 13.824 0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.348 15.123 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.653 14.380 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.816 17.271 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.431 16.592 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.373 17.622 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.506 16.286 0.205 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.469 14.434 1.199 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.871 14.700 1.501 1.00 0.00 C ATOM 1445 C VAL A 92 -4.074 14.955 2.990 1.00 0.00 C ATOM 1446 O VAL A 92 -4.860 15.819 3.382 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.771 13.528 1.065 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.221 13.803 1.432 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.629 13.274 -0.428 1.00 0.00 C ATOM 0 H VAL A 92 -2.304 13.564 0.693 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.151 15.592 0.941 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.451 12.631 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.842 12.964 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.305 13.931 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.557 14.711 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.272 12.443 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.921 14.168 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.592 13.029 -0.658 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.359 14.200 3.817 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.459 14.345 5.265 1.00 0.00 C ATOM 1461 C LEU A 93 -2.224 15.039 5.830 1.00 0.00 C ATOM 1462 O LEU A 93 -1.351 15.478 5.082 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.635 12.975 5.923 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.461 11.955 5.140 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.562 11.111 4.250 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.257 11.071 6.089 1.00 0.00 C ATOM 0 H LEU A 93 -2.704 13.481 3.510 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.331 14.961 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.647 12.551 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.102 13.120 6.897 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.163 12.495 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.167 10.390 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.038 11.757 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.836 10.580 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.839 10.351 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.573 10.539 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.930 11.689 6.684 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.157 15.131 7.155 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.028 15.771 7.819 1.00 0.00 C ATOM 1480 C GLU A 94 -0.146 14.735 8.511 1.00 0.00 C ATOM 1481 O GLU A 94 -0.645 13.812 9.156 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.522 16.799 8.838 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.562 17.958 9.049 1.00 0.00 C ATOM 1484 CD GLU A 94 -1.159 19.064 9.897 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.964 19.854 9.359 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.823 19.139 11.097 1.00 0.00 O ATOM 0 H GLU A 94 -2.871 14.771 7.789 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.434 16.280 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.484 17.191 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.691 16.300 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.346 17.590 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.271 18.365 8.080 1.00 0.00 H new ATOM 1493 N ASP A 95 1.165 14.894 8.371 1.00 0.00 N ATOM 1494 CA ASP A 95 2.117 13.974 8.983 1.00 0.00 C ATOM 1495 C ASP A 95 1.806 12.532 8.592 1.00 0.00 C ATOM 1496 O ASP A 95 1.655 11.664 9.453 1.00 0.00 O ATOM 1497 CB ASP A 95 2.093 14.119 10.505 1.00 0.00 C ATOM 1498 CG ASP A 95 3.327 13.533 11.162 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.412 13.592 10.547 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.208 13.016 12.293 1.00 0.00 O ATOM 0 H ASP A 95 1.593 15.652 7.839 1.00 0.00 H new ATOM 0 HA ASP A 95 3.113 14.224 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.013 15.174 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.205 13.625 10.900 1.00 0.00 H new ATOM 1505 N ASP A 96 1.711 12.285 7.291 1.00 0.00 N ATOM 1506 CA ASP A 96 1.419 10.948 6.786 1.00 0.00 C ATOM 1507 C ASP A 96 2.646 10.048 6.889 1.00 0.00 C ATOM 1508 O ASP A 96 3.694 10.340 6.310 1.00 0.00 O ATOM 1509 CB ASP A 96 0.945 11.021 5.334 1.00 0.00 C ATOM 1510 CG ASP A 96 0.091 9.831 4.943 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.495 8.687 5.241 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.982 10.043 4.341 1.00 0.00 O ATOM 0 H ASP A 96 1.832 12.993 6.566 1.00 0.00 H new ATOM 0 HA ASP A 96 0.625 10.520 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.374 11.938 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.811 11.075 4.674 1.00 0.00 H new ATOM 1517 N LEU A 97 2.510 8.953 7.629 1.00 0.00 N ATOM 1518 CA LEU A 97 3.608 8.010 7.809 1.00 0.00 C ATOM 1519 C LEU A 97 3.829 7.184 6.546 1.00 0.00 C ATOM 1520 O LEU A 97 4.966 6.957 6.130 1.00 0.00 O ATOM 1521 CB LEU A 97 3.323 7.085 8.993 1.00 0.00 C ATOM 1522 CG LEU A 97 2.954 7.772 10.308 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.489 6.750 11.333 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.135 8.568 10.844 1.00 0.00 C ATOM 0 H LEU A 97 1.650 8.696 8.114 1.00 0.00 H new ATOM 0 HA LEU A 97 4.514 8.580 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.510 6.414 8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.203 6.466 9.164 1.00 0.00 H new ATOM 0 HG LEU A 97 2.133 8.463 10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.231 7.258 12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.614 6.224 10.951 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.289 6.034 11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.854 9.050 11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.976 7.897 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.422 9.328 10.117 1.00 0.00 H new ATOM 1536 N LEU A 98 2.735 6.739 5.937 1.00 0.00 N ATOM 1537 CA LEU A 98 2.809 5.940 4.719 1.00 0.00 C ATOM 1538 C LEU A 98 3.652 6.640 3.659 1.00 0.00 C ATOM 1539 O LEU A 98 4.417 6.000 2.936 1.00 0.00 O ATOM 1540 CB LEU A 98 1.404 5.673 4.175 1.00 0.00 C ATOM 1541 CG LEU A 98 0.426 5.003 5.142 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.993 5.073 4.599 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.832 3.558 5.395 1.00 0.00 C ATOM 0 H LEU A 98 1.787 6.918 6.267 1.00 0.00 H new ATOM 0 HA LEU A 98 3.284 4.990 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.974 6.622 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.493 5.047 3.287 1.00 0.00 H new ATOM 0 HG LEU A 98 0.457 5.539 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.675 4.592 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.282 6.116 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.040 4.562 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.125 3.097 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.830 3.009 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.832 3.532 5.828 1.00 0.00 H new ATOM 1555 N LEU A 99 3.509 7.958 3.572 1.00 0.00 N ATOM 1556 CA LEU A 99 4.260 8.747 2.601 1.00 0.00 C ATOM 1557 C LEU A 99 5.751 8.731 2.923 1.00 0.00 C ATOM 1558 O LEU A 99 6.588 8.892 2.036 1.00 0.00 O ATOM 1559 CB LEU A 99 3.747 10.187 2.579 1.00 0.00 C ATOM 1560 CG LEU A 99 2.622 10.484 1.586 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.406 9.622 1.884 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.255 11.960 1.622 1.00 0.00 C ATOM 0 H LEU A 99 2.880 8.503 4.162 1.00 0.00 H new ATOM 0 HA LEU A 99 4.115 8.301 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.398 10.443 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.585 10.847 2.356 1.00 0.00 H new ATOM 0 HG LEU A 99 2.975 10.243 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.616 9.847 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.678 8.569 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.051 9.830 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.453 12.153 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.922 12.228 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.127 12.558 1.358 1.00 0.00 H new ATOM 1574 N GLN A 100 6.074 8.534 4.197 1.00 0.00 N ATOM 1575 CA GLN A 100 7.464 8.495 4.635 1.00 0.00 C ATOM 1576 C GLN A 100 7.944 7.057 4.797 1.00 0.00 C ATOM 1577 O GLN A 100 8.957 6.799 5.448 1.00 0.00 O ATOM 1578 CB GLN A 100 7.626 9.252 5.955 1.00 0.00 C ATOM 1579 CG GLN A 100 7.169 10.700 5.886 1.00 0.00 C ATOM 1580 CD GLN A 100 7.661 11.523 7.060 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.858 11.773 7.200 1.00 0.00 O ATOM 1582 NE2 GLN A 100 6.736 11.951 7.912 1.00 0.00 N ATOM 0 H GLN A 100 5.392 8.399 4.944 1.00 0.00 H new ATOM 0 HA GLN A 100 8.073 8.977 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.059 8.738 6.731 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.674 9.224 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.527 11.146 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.080 10.732 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.755 11.720 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.007 12.510 8.721 1.00 0.00 H new ATOM 1591 N PHE A 101 7.210 6.123 4.202 1.00 0.00 N ATOM 1592 CA PHE A 101 7.560 4.709 4.282 1.00 0.00 C ATOM 1593 C PHE A 101 8.689 4.373 3.312 1.00 0.00 C ATOM 1594 O PHE A 101 8.849 5.024 2.279 1.00 0.00 O ATOM 1595 CB PHE A 101 6.337 3.841 3.980 1.00 0.00 C ATOM 1596 CG PHE A 101 6.675 2.402 3.712 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.760 1.492 4.753 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.906 1.960 2.420 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.070 0.167 4.510 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.216 0.637 2.171 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.300 -0.261 3.217 1.00 0.00 C ATOM 0 H PHE A 101 6.369 6.319 3.659 1.00 0.00 H new ATOM 0 HA PHE A 101 7.902 4.502 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.647 3.893 4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.815 4.251 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.582 1.822 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.843 2.657 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.132 -0.533 5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.393 0.305 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.545 -1.295 3.024 1.00 0.00 H new ATOM 1611 N ASP A 102 9.469 3.353 3.652 1.00 0.00 N ATOM 1612 CA ASP A 102 10.583 2.929 2.812 1.00 0.00 C ATOM 1613 C ASP A 102 10.100 2.015 1.690 1.00 0.00 C ATOM 1614 O ASP A 102 9.938 0.810 1.882 1.00 0.00 O ATOM 1615 CB ASP A 102 11.639 2.210 3.653 1.00 0.00 C ATOM 1616 CG ASP A 102 12.262 3.115 4.697 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.570 3.448 5.682 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.441 3.492 4.529 1.00 0.00 O ATOM 0 H ASP A 102 9.350 2.804 4.504 1.00 0.00 H new ATOM 0 HA ASP A 102 11.029 3.818 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.184 1.351 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.420 1.824 2.998 1.00 0.00 H new ATOM 1623 N VAL A 103 9.869 2.597 0.517 1.00 0.00 N ATOM 1624 CA VAL A 103 9.405 1.835 -0.636 1.00 0.00 C ATOM 1625 C VAL A 103 10.576 1.243 -1.412 1.00 0.00 C ATOM 1626 O VAL A 103 10.416 0.269 -2.147 1.00 0.00 O ATOM 1627 CB VAL A 103 8.565 2.711 -1.585 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.375 3.903 -2.069 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.058 1.888 -2.760 1.00 0.00 C ATOM 0 H VAL A 103 9.996 3.594 0.341 1.00 0.00 H new ATOM 0 HA VAL A 103 8.783 1.027 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 103 7.702 3.088 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.765 4.510 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.684 4.504 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.258 3.551 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.467 2.522 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.905 1.481 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.438 1.071 -2.391 1.00 0.00 H new ATOM 1639 N GLU A 104 11.752 1.838 -1.241 1.00 0.00 N ATOM 1640 CA GLU A 104 12.951 1.368 -1.927 1.00 0.00 C ATOM 1641 C GLU A 104 13.250 -0.085 -1.567 1.00 0.00 C ATOM 1642 O GLU A 104 13.611 -0.887 -2.428 1.00 0.00 O ATOM 1643 CB GLU A 104 14.149 2.250 -1.568 1.00 0.00 C ATOM 1644 CG GLU A 104 14.348 3.421 -2.516 1.00 0.00 C ATOM 1645 CD GLU A 104 15.243 3.075 -3.690 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.202 1.914 -4.146 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.984 3.968 -4.153 1.00 0.00 O ATOM 0 H GLU A 104 11.901 2.645 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 104 12.772 1.429 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.018 2.631 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.051 1.639 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.378 3.751 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.781 4.258 -1.968 1.00 0.00 H new ATOM 1654 N ASP A 105 13.096 -0.415 -0.289 1.00 0.00 N ATOM 1655 CA ASP A 105 13.348 -1.770 0.185 1.00 0.00 C ATOM 1656 C ASP A 105 12.647 -2.796 -0.700 1.00 0.00 C ATOM 1657 O ASP A 105 13.116 -3.924 -0.853 1.00 0.00 O ATOM 1658 CB ASP A 105 12.879 -1.922 1.633 1.00 0.00 C ATOM 1659 CG ASP A 105 13.056 -3.335 2.154 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.025 -4.004 1.737 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.227 -3.771 2.980 1.00 0.00 O ATOM 0 H ASP A 105 12.798 0.237 0.436 1.00 0.00 H new ATOM 0 HA ASP A 105 14.422 -1.950 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.436 -1.232 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.828 -1.641 1.703 1.00 0.00 H new ATOM 1666 N LEU A 106 11.521 -2.397 -1.281 1.00 0.00 N ATOM 1667 CA LEU A 106 10.754 -3.281 -2.151 1.00 0.00 C ATOM 1668 C LEU A 106 11.569 -3.681 -3.376 1.00 0.00 C ATOM 1669 O LEU A 106 11.478 -4.813 -3.853 1.00 0.00 O ATOM 1670 CB LEU A 106 9.456 -2.599 -2.588 1.00 0.00 C ATOM 1671 CG LEU A 106 8.478 -2.238 -1.470 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.098 -1.948 -2.040 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.408 -3.356 -0.441 1.00 0.00 C ATOM 0 H LEU A 106 11.119 -1.467 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 106 10.512 -4.183 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.712 -1.687 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.945 -3.254 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 106 8.840 -1.337 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.416 -1.693 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.161 -1.113 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.727 -2.830 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.707 -3.082 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.071 -4.274 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.396 -3.515 -0.009 1.00 0.00 H new ATOM 1685 N TYR A 107 12.367 -2.746 -3.881 1.00 0.00 N ATOM 1686 CA TYR A 107 13.199 -3.001 -5.051 1.00 0.00 C ATOM 1687 C TYR A 107 14.490 -3.712 -4.657 1.00 0.00 C ATOM 1688 O TYR A 107 14.682 -4.074 -3.497 1.00 0.00 O ATOM 1689 CB TYR A 107 13.524 -1.689 -5.767 1.00 0.00 C ATOM 1690 CG TYR A 107 12.362 -0.723 -5.819 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.098 -1.148 -6.210 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.527 0.613 -5.479 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.033 -0.269 -6.260 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.468 1.499 -5.525 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.223 1.053 -5.916 1.00 0.00 C ATOM 1696 OH TYR A 107 9.165 1.932 -5.965 1.00 0.00 O ATOM 0 H TYR A 107 12.455 -1.805 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 107 12.641 -3.648 -5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.363 -1.208 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.847 -1.910 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.946 -2.183 -6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.501 0.966 -5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.057 -0.615 -6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.614 2.535 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 107 8.729 1.871 -6.841 1.00 0.00 H new ATOM 1706 N GLU A 108 15.371 -3.908 -5.633 1.00 0.00 N ATOM 1707 CA GLU A 108 16.644 -4.576 -5.389 1.00 0.00 C ATOM 1708 C GLU A 108 17.812 -3.621 -5.616 1.00 0.00 C ATOM 1709 O GLU A 108 17.905 -2.947 -6.642 1.00 0.00 O ATOM 1710 CB GLU A 108 16.786 -5.799 -6.298 1.00 0.00 C ATOM 1711 CG GLU A 108 16.674 -5.473 -7.778 1.00 0.00 C ATOM 1712 CD GLU A 108 16.868 -6.691 -8.659 1.00 0.00 C ATOM 1713 OE1 GLU A 108 18.034 -7.049 -8.928 1.00 0.00 O ATOM 1714 OE2 GLU A 108 15.854 -7.287 -9.081 1.00 0.00 O ATOM 0 H GLU A 108 15.227 -3.614 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 108 16.661 -4.902 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 108 17.751 -6.271 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.019 -6.527 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.695 -5.037 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 108 17.417 -4.719 -8.038 1.00 0.00 H new ATOM 1721 N PRO A 109 18.725 -3.560 -4.635 1.00 0.00 N ATOM 1722 CA PRO A 109 19.904 -2.691 -4.704 1.00 0.00 C ATOM 1723 C PRO A 109 20.912 -3.163 -5.747 1.00 0.00 C ATOM 1724 O PRO A 109 21.729 -4.044 -5.481 1.00 0.00 O ATOM 1725 CB PRO A 109 20.502 -2.792 -3.299 1.00 0.00 C ATOM 1726 CG PRO A 109 20.039 -4.111 -2.784 1.00 0.00 C ATOM 1727 CD PRO A 109 18.678 -4.335 -3.384 1.00 0.00 C ATOM 0 HA PRO A 109 19.644 -1.675 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.590 -2.738 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.159 -1.976 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 109 20.728 -4.906 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 109 19.990 -4.110 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.491 -5.392 -3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.885 -3.984 -2.724 1.00 0.00 H new ATOM 1735 N VAL A 110 20.848 -2.569 -6.935 1.00 0.00 N ATOM 1736 CA VAL A 110 21.757 -2.928 -8.018 1.00 0.00 C ATOM 1737 C VAL A 110 22.833 -1.865 -8.207 1.00 0.00 C ATOM 1738 O VAL A 110 23.531 -1.847 -9.221 1.00 0.00 O ATOM 1739 CB VAL A 110 20.999 -3.118 -9.346 1.00 0.00 C ATOM 1740 CG1 VAL A 110 20.434 -1.793 -9.833 1.00 0.00 C ATOM 1741 CG2 VAL A 110 21.912 -3.736 -10.395 1.00 0.00 C ATOM 0 H VAL A 110 20.177 -1.838 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 110 22.227 -3.871 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 110 20.165 -3.799 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 110 19.902 -1.947 -10.772 1.00 0.00 H new ATOM 0 HG12 VAL A 110 19.746 -1.395 -9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 110 21.248 -1.086 -9.989 1.00 0.00 H new ATOM 0 HG21 VAL A 110 21.361 -3.864 -11.327 1.00 0.00 H new ATOM 0 HG22 VAL A 110 22.766 -3.081 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 110 22.263 -4.707 -10.045 1.00 0.00 H new ATOM 1751 N SER A 111 22.961 -0.979 -7.224 1.00 0.00 N ATOM 1752 CA SER A 111 23.950 0.091 -7.284 1.00 0.00 C ATOM 1753 C SER A 111 25.072 -0.150 -6.278 1.00 0.00 C ATOM 1754 O SER A 111 24.879 -0.012 -5.069 1.00 0.00 O ATOM 1755 CB SER A 111 23.288 1.443 -7.012 1.00 0.00 C ATOM 1756 OG SER A 111 24.146 2.512 -7.369 1.00 0.00 O ATOM 0 H SER A 111 22.393 -0.981 -6.377 1.00 0.00 H new ATOM 0 HA SER A 111 24.379 0.100 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.358 1.516 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.028 1.518 -5.956 1.00 0.00 H new ATOM 0 HG SER A 111 23.699 3.365 -7.187 1.00 0.00 H new ATOM 1762 N THR A 112 26.246 -0.512 -6.785 1.00 0.00 N ATOM 1763 CA THR A 112 27.399 -0.774 -5.933 1.00 0.00 C ATOM 1764 C THR A 112 28.680 -0.233 -6.560 1.00 0.00 C ATOM 1765 O THR A 112 28.892 -0.318 -7.769 1.00 0.00 O ATOM 1766 CB THR A 112 27.569 -2.281 -5.665 1.00 0.00 C ATOM 1767 OG1 THR A 112 27.656 -2.992 -6.905 1.00 0.00 O ATOM 1768 CG2 THR A 112 26.405 -2.819 -4.846 1.00 0.00 C ATOM 0 H THR A 112 26.423 -0.631 -7.782 1.00 0.00 H new ATOM 0 HA THR A 112 27.216 -0.263 -4.988 1.00 0.00 H new ATOM 0 HB THR A 112 28.489 -2.426 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 112 27.766 -3.949 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 112 26.547 -3.885 -4.669 1.00 0.00 H new ATOM 0 HG22 THR A 112 26.359 -2.296 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 112 25.474 -2.662 -5.390 1.00 0.00 H new ATOM 1776 N PRO A 113 29.556 0.336 -5.719 1.00 0.00 N ATOM 1777 CA PRO A 113 30.832 0.901 -6.168 1.00 0.00 C ATOM 1778 C PRO A 113 31.815 -0.174 -6.620 1.00 0.00 C ATOM 1779 O PRO A 113 32.382 -0.092 -7.710 1.00 0.00 O ATOM 1780 CB PRO A 113 31.360 1.619 -4.924 1.00 0.00 C ATOM 1781 CG PRO A 113 30.723 0.910 -3.779 1.00 0.00 C ATOM 1782 CD PRO A 113 29.369 0.472 -4.264 1.00 0.00 C ATOM 0 HA PRO A 113 30.707 1.553 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 113 32.447 1.565 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 113 31.093 2.676 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 113 31.322 0.054 -3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 113 30.634 1.567 -2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 113 29.064 -0.470 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 113 28.599 1.206 -4.024 1.00 0.00 H new ATOM 1790 N PHE A 114 32.011 -1.183 -5.777 1.00 0.00 N ATOM 1791 CA PHE A 114 32.925 -2.274 -6.090 1.00 0.00 C ATOM 1792 C PHE A 114 34.219 -1.742 -6.699 1.00 0.00 C ATOM 1793 O PHE A 114 34.743 -2.305 -7.660 1.00 0.00 O ATOM 1794 CB PHE A 114 32.264 -3.262 -7.053 1.00 0.00 C ATOM 1795 CG PHE A 114 32.962 -4.590 -7.123 1.00 0.00 C ATOM 1796 CD1 PHE A 114 33.143 -5.353 -5.981 1.00 0.00 C ATOM 1797 CD2 PHE A 114 33.437 -5.075 -8.331 1.00 0.00 C ATOM 1798 CE1 PHE A 114 33.785 -6.576 -6.042 1.00 0.00 C ATOM 1799 CE2 PHE A 114 34.079 -6.297 -8.398 1.00 0.00 C ATOM 1800 CZ PHE A 114 34.254 -7.048 -7.252 1.00 0.00 C ATOM 0 H PHE A 114 31.549 -1.267 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 114 33.166 -2.790 -5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 114 31.230 -3.420 -6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 114 32.237 -2.822 -8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 114 32.778 -4.988 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 114 33.304 -4.492 -9.230 1.00 0.00 H new ATOM 0 HE1 PHE A 114 33.920 -7.161 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 114 34.444 -6.665 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 114 34.757 -8.003 -7.302 1.00 0.00 H new ATOM 1810 N SER A 115 34.729 -0.653 -6.133 1.00 0.00 N ATOM 1811 CA SER A 115 35.958 -0.041 -6.622 1.00 0.00 C ATOM 1812 C SER A 115 36.549 0.901 -5.577 1.00 0.00 C ATOM 1813 O SER A 115 35.849 1.746 -5.019 1.00 0.00 O ATOM 1814 CB SER A 115 35.692 0.723 -7.920 1.00 0.00 C ATOM 1815 OG SER A 115 36.868 0.823 -8.704 1.00 0.00 O ATOM 0 H SER A 115 34.309 -0.176 -5.335 1.00 0.00 H new ATOM 0 HA SER A 115 36.677 -0.836 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 115 34.913 0.217 -8.490 1.00 0.00 H new ATOM 0 HB3 SER A 115 35.320 1.721 -7.688 1.00 0.00 H new ATOM 0 HG SER A 115 36.671 1.314 -9.529 1.00 0.00 H new ATOM 1821 N SER A 116 37.844 0.749 -5.317 1.00 0.00 N ATOM 1822 CA SER A 116 38.530 1.582 -4.337 1.00 0.00 C ATOM 1823 C SER A 116 39.049 2.864 -4.981 1.00 0.00 C ATOM 1824 O SER A 116 38.975 3.035 -6.197 1.00 0.00 O ATOM 1825 CB SER A 116 39.689 0.811 -3.703 1.00 0.00 C ATOM 1826 OG SER A 116 40.642 0.429 -4.680 1.00 0.00 O ATOM 0 H SER A 116 38.439 0.056 -5.772 1.00 0.00 H new ATOM 0 HA SER A 116 37.814 1.851 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 116 40.169 1.429 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 116 39.307 -0.076 -3.197 1.00 0.00 H new ATOM 0 HG SER A 116 41.374 -0.061 -4.249 1.00 0.00 H new ATOM 1832 N GLY A 117 39.575 3.763 -4.155 1.00 0.00 N ATOM 1833 CA GLY A 117 40.099 5.018 -4.662 1.00 0.00 C ATOM 1834 C GLY A 117 39.684 6.204 -3.813 1.00 0.00 C ATOM 1835 O GLY A 117 38.824 6.998 -4.196 1.00 0.00 O ATOM 0 H GLY A 117 39.648 3.645 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 117 41.187 4.965 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 117 39.751 5.167 -5.684 1.00 0.00 H new ATOM 1839 N PRO A 118 40.302 6.335 -2.630 1.00 0.00 N ATOM 1840 CA PRO A 118 40.007 7.430 -1.700 1.00 0.00 C ATOM 1841 C PRO A 118 40.498 8.778 -2.217 1.00 0.00 C ATOM 1842 O PRO A 118 41.610 8.888 -2.732 1.00 0.00 O ATOM 1843 CB PRO A 118 40.768 7.033 -0.433 1.00 0.00 C ATOM 1844 CG PRO A 118 41.877 6.162 -0.914 1.00 0.00 C ATOM 1845 CD PRO A 118 41.336 5.426 -2.109 1.00 0.00 C ATOM 0 HA PRO A 118 38.935 7.558 -1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 118 41.151 7.909 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.122 6.502 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 118 42.751 6.755 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 118 42.192 5.466 -0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 118 42.113 5.235 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 118 40.917 4.459 -1.830 1.00 0.00 H new ATOM 1853 N SER A 119 39.661 9.801 -2.075 1.00 0.00 N ATOM 1854 CA SER A 119 40.009 11.141 -2.531 1.00 0.00 C ATOM 1855 C SER A 119 41.432 11.504 -2.117 1.00 0.00 C ATOM 1856 O SER A 119 42.033 10.839 -1.273 1.00 0.00 O ATOM 1857 CB SER A 119 39.025 12.167 -1.965 1.00 0.00 C ATOM 1858 OG SER A 119 37.803 12.152 -2.684 1.00 0.00 O ATOM 0 H SER A 119 38.738 9.727 -1.648 1.00 0.00 H new ATOM 0 HA SER A 119 39.951 11.153 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 119 38.835 11.952 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 119 39.466 13.163 -2.012 1.00 0.00 H new ATOM 0 HG SER A 119 37.191 12.815 -2.302 1.00 0.00 H new ATOM 1864 N SER A 120 41.965 12.563 -2.718 1.00 0.00 N ATOM 1865 CA SER A 120 43.319 13.012 -2.416 1.00 0.00 C ATOM 1866 C SER A 120 43.300 14.389 -1.759 1.00 0.00 C ATOM 1867 O SER A 120 42.534 15.267 -2.154 1.00 0.00 O ATOM 1868 CB SER A 120 44.162 13.055 -3.692 1.00 0.00 C ATOM 1869 OG SER A 120 43.568 13.893 -4.667 1.00 0.00 O ATOM 0 H SER A 120 41.480 13.126 -3.417 1.00 0.00 H new ATOM 0 HA SER A 120 43.764 12.302 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 120 45.163 13.417 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 120 44.273 12.047 -4.093 1.00 0.00 H new ATOM 0 HG SER A 120 44.127 13.905 -5.472 1.00 0.00 H new ATOM 1875 N GLY A 121 44.150 14.570 -0.753 1.00 0.00 N ATOM 1876 CA GLY A 121 44.216 15.841 -0.056 1.00 0.00 C ATOM 1877 C GLY A 121 44.147 17.024 -1.001 1.00 0.00 C ATOM 1878 O GLY A 121 45.125 17.293 -1.697 1.00 0.00 O ATOM 0 H GLY A 121 44.794 13.859 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 121 43.396 15.903 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 121 45.142 15.890 0.516 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.652 -0.254 6.810 1.00 0.00 ZN