USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= -0.038 USER MOD Set 1.2: A 28 ASN : amide:sc= -3.14! K(o=-3.2!,f=-2.2) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= -1.12 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= -0.136 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 102:sc= -0.0186 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0976 USER MOD Single : A 23 SER OG : rot -78:sc= 0.651 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -70:sc= -0.917 USER MOD Single : A 49 SER OG : rot -51:sc= 0.0604 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-3.4!) USER MOD Single : A 60 GLN : amide:sc= 0.688 K(o=0.69,f=-3.5!) USER MOD Single : A 64 MET CE :methyl 179:sc= -0.0775 (180deg=-0.0809) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-4.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.155 USER MOD Single : A 83 TYR OH : rot 90:sc= 0.793 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.0325 (180deg=-0.264) USER MOD Single : A 98 SER OG : rot 21:sc= 0.36! USER MOD Single : A 100 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.022) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 105 THR OG1 : rot 170:sc= 1.54 USER MOD Single : A 107 SER OG : rot 180:sc=0.000841 USER MOD Single : A 110 SER OG : rot 27:sc= 0.0683 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.872 -24.320 0.721 1.00 0.00 N ATOM 2 CA GLY A 1 -11.405 -24.188 -0.646 1.00 0.00 C ATOM 3 C GLY A 1 -9.896 -24.064 -0.733 1.00 0.00 C ATOM 4 O GLY A 1 -9.362 -22.961 -0.841 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.909 -24.401 0.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.455 -25.171 1.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.587 -23.482 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.729 -25.054 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.866 -23.311 -1.101 1.00 0.00 H new ATOM 8 N SER A 2 -9.208 -25.200 -0.685 1.00 0.00 N ATOM 9 CA SER A 2 -7.751 -25.214 -0.754 1.00 0.00 C ATOM 10 C SER A 2 -7.145 -24.432 0.407 1.00 0.00 C ATOM 11 O SER A 2 -6.164 -23.708 0.237 1.00 0.00 O ATOM 12 CB SER A 2 -7.277 -24.625 -2.084 1.00 0.00 C ATOM 13 OG SER A 2 -7.523 -25.520 -3.155 1.00 0.00 O ATOM 0 H SER A 2 -9.635 -26.122 -0.599 1.00 0.00 H new ATOM 0 HA SER A 2 -7.418 -26.250 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.789 -23.681 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.211 -24.404 -2.028 1.00 0.00 H new ATOM 0 HG SER A 2 -7.213 -25.119 -3.994 1.00 0.00 H new ATOM 19 N SER A 3 -7.736 -24.584 1.587 1.00 0.00 N ATOM 20 CA SER A 3 -7.258 -23.889 2.777 1.00 0.00 C ATOM 21 C SER A 3 -6.061 -24.614 3.385 1.00 0.00 C ATOM 22 O SER A 3 -6.195 -25.710 3.927 1.00 0.00 O ATOM 23 CB SER A 3 -8.379 -23.775 3.812 1.00 0.00 C ATOM 24 OG SER A 3 -7.975 -22.983 4.916 1.00 0.00 O ATOM 0 H SER A 3 -8.547 -25.182 1.745 1.00 0.00 H new ATOM 0 HA SER A 3 -6.943 -22.888 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.262 -23.335 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.662 -24.769 4.158 1.00 0.00 H new ATOM 0 HG SER A 3 -8.709 -22.924 5.562 1.00 0.00 H new ATOM 30 N GLY A 4 -4.889 -23.993 3.289 1.00 0.00 N ATOM 31 CA GLY A 4 -3.685 -24.592 3.833 1.00 0.00 C ATOM 32 C GLY A 4 -3.713 -24.681 5.346 1.00 0.00 C ATOM 33 O GLY A 4 -4.225 -23.785 6.017 1.00 0.00 O ATOM 0 H GLY A 4 -4.752 -23.085 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.560 -25.591 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.820 -24.006 3.523 1.00 0.00 H new ATOM 37 N SER A 5 -3.164 -25.764 5.884 1.00 0.00 N ATOM 38 CA SER A 5 -3.133 -25.969 7.328 1.00 0.00 C ATOM 39 C SER A 5 -1.820 -25.468 7.920 1.00 0.00 C ATOM 40 O SER A 5 -1.811 -24.608 8.801 1.00 0.00 O ATOM 41 CB SER A 5 -3.322 -27.451 7.658 1.00 0.00 C ATOM 42 OG SER A 5 -2.362 -28.249 6.987 1.00 0.00 O ATOM 0 H SER A 5 -2.734 -26.514 5.342 1.00 0.00 H new ATOM 0 HA SER A 5 -3.951 -25.399 7.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.236 -27.601 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.325 -27.766 7.371 1.00 0.00 H new ATOM 0 HG SER A 5 -2.503 -29.192 7.216 1.00 0.00 H new ATOM 48 N SER A 6 -0.711 -26.012 7.429 1.00 0.00 N ATOM 49 CA SER A 6 0.610 -25.624 7.912 1.00 0.00 C ATOM 50 C SER A 6 0.900 -24.163 7.583 1.00 0.00 C ATOM 51 O SER A 6 0.315 -23.594 6.663 1.00 0.00 O ATOM 52 CB SER A 6 1.685 -26.521 7.295 1.00 0.00 C ATOM 53 OG SER A 6 1.803 -26.291 5.902 1.00 0.00 O ATOM 0 H SER A 6 -0.701 -26.723 6.697 1.00 0.00 H new ATOM 0 HA SER A 6 0.624 -25.744 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.643 -26.333 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.437 -27.567 7.474 1.00 0.00 H new ATOM 0 HG SER A 6 2.497 -26.875 5.532 1.00 0.00 H new ATOM 59 N GLY A 7 1.809 -23.561 8.345 1.00 0.00 N ATOM 60 CA GLY A 7 2.162 -22.171 8.121 1.00 0.00 C ATOM 61 C GLY A 7 1.112 -21.214 8.648 1.00 0.00 C ATOM 62 O GLY A 7 -0.086 -21.484 8.559 1.00 0.00 O ATOM 0 H GLY A 7 2.307 -24.011 9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.116 -21.960 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.300 -22.002 7.053 1.00 0.00 H new ATOM 66 N SER A 8 1.561 -20.092 9.201 1.00 0.00 N ATOM 67 CA SER A 8 0.651 -19.093 9.751 1.00 0.00 C ATOM 68 C SER A 8 0.195 -18.119 8.669 1.00 0.00 C ATOM 69 O SER A 8 0.953 -17.788 7.757 1.00 0.00 O ATOM 70 CB SER A 8 1.329 -18.328 10.889 1.00 0.00 C ATOM 71 OG SER A 8 1.654 -19.193 11.963 1.00 0.00 O ATOM 0 H SER A 8 2.549 -19.852 9.280 1.00 0.00 H new ATOM 0 HA SER A 8 -0.225 -19.611 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.234 -17.847 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.669 -17.536 11.243 1.00 0.00 H new ATOM 0 HG SER A 8 2.088 -18.680 12.677 1.00 0.00 H new ATOM 77 N ARG A 9 -1.049 -17.665 8.777 1.00 0.00 N ATOM 78 CA ARG A 9 -1.608 -16.730 7.807 1.00 0.00 C ATOM 79 C ARG A 9 -0.950 -15.359 7.932 1.00 0.00 C ATOM 80 O ARG A 9 -0.730 -14.847 9.029 1.00 0.00 O ATOM 81 CB ARG A 9 -3.119 -16.602 8.003 1.00 0.00 C ATOM 82 CG ARG A 9 -3.752 -15.508 7.160 1.00 0.00 C ATOM 83 CD ARG A 9 -5.159 -15.181 7.635 1.00 0.00 C ATOM 84 NE ARG A 9 -5.958 -14.548 6.589 1.00 0.00 N ATOM 85 CZ ARG A 9 -7.277 -14.405 6.656 1.00 0.00 C ATOM 86 NH1 ARG A 9 -7.942 -14.847 7.714 1.00 0.00 N ATOM 87 NH2 ARG A 9 -7.933 -13.818 5.663 1.00 0.00 N ATOM 0 H ARG A 9 -1.689 -17.929 9.526 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.410 -17.119 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.590 -17.554 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.325 -16.403 9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.135 -14.611 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.783 -15.823 6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.652 -16.096 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.105 -14.520 8.500 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.477 -14.196 5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.441 -15.298 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.955 -14.736 7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.424 -13.476 4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.946 -13.709 5.715 1.00 0.00 H new ATOM 101 N PRO A 10 -0.627 -14.751 6.781 1.00 0.00 N ATOM 102 CA PRO A 10 0.011 -13.432 6.735 1.00 0.00 C ATOM 103 C PRO A 10 -0.932 -12.316 7.174 1.00 0.00 C ATOM 104 O PRO A 10 -2.121 -12.336 6.857 1.00 0.00 O ATOM 105 CB PRO A 10 0.382 -13.268 5.259 1.00 0.00 C ATOM 106 CG PRO A 10 -0.582 -14.138 4.528 1.00 0.00 C ATOM 107 CD PRO A 10 -0.859 -15.303 5.436 1.00 0.00 C ATOM 0 HA PRO A 10 0.863 -13.368 7.412 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.296 -12.229 4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.411 -13.574 5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.499 -13.596 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.163 -14.474 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.880 -15.667 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.196 -16.142 5.226 1.00 0.00 H new ATOM 115 N ARG A 11 -0.393 -11.346 7.904 1.00 0.00 N ATOM 116 CA ARG A 11 -1.187 -10.222 8.387 1.00 0.00 C ATOM 117 C ARG A 11 -0.518 -8.895 8.043 1.00 0.00 C ATOM 118 O ARG A 11 0.554 -8.867 7.435 1.00 0.00 O ATOM 119 CB ARG A 11 -1.390 -10.326 9.900 1.00 0.00 C ATOM 120 CG ARG A 11 -1.408 -11.756 10.415 1.00 0.00 C ATOM 121 CD ARG A 11 0.000 -12.282 10.647 1.00 0.00 C ATOM 122 NE ARG A 11 0.454 -12.046 12.014 1.00 0.00 N ATOM 123 CZ ARG A 11 0.063 -12.774 13.054 1.00 0.00 C ATOM 124 NH1 ARG A 11 -0.785 -13.779 12.883 1.00 0.00 N ATOM 125 NH2 ARG A 11 0.521 -12.498 14.269 1.00 0.00 N ATOM 0 H ARG A 11 0.590 -11.315 8.174 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.158 -10.258 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.594 -9.777 10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.329 -9.841 10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.973 -11.801 11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.923 -12.396 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.027 -13.351 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.686 -11.802 9.949 1.00 0.00 H new ATOM 0 HE ARG A 11 1.107 -11.280 12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.139 -13.995 11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.083 -14.336 13.683 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.174 -11.726 14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.220 -13.058 15.067 1.00 0.00 H new ATOM 139 N LEU A 12 -1.155 -7.798 8.435 1.00 0.00 N ATOM 140 CA LEU A 12 -0.622 -6.466 8.168 1.00 0.00 C ATOM 141 C LEU A 12 0.192 -5.958 9.353 1.00 0.00 C ATOM 142 O LEU A 12 -0.063 -6.328 10.499 1.00 0.00 O ATOM 143 CB LEU A 12 -1.760 -5.492 7.860 1.00 0.00 C ATOM 144 CG LEU A 12 -2.206 -5.419 6.399 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.554 -4.725 6.287 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.161 -4.699 5.558 1.00 0.00 C ATOM 0 H LEU A 12 -2.042 -7.804 8.939 1.00 0.00 H new ATOM 0 HA LEU A 12 0.036 -6.531 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.621 -5.767 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.453 -4.495 8.175 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.311 -6.435 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.855 -4.682 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.298 -5.282 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.476 -3.713 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.495 -4.656 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.024 -3.686 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.215 -5.238 5.613 1.00 0.00 H new ATOM 158 N SER A 13 1.172 -5.106 9.070 1.00 0.00 N ATOM 159 CA SER A 13 2.025 -4.547 10.112 1.00 0.00 C ATOM 160 C SER A 13 1.484 -3.205 10.595 1.00 0.00 C ATOM 161 O SER A 13 0.471 -2.717 10.096 1.00 0.00 O ATOM 162 CB SER A 13 3.455 -4.378 9.595 1.00 0.00 C ATOM 163 OG SER A 13 4.227 -5.540 9.839 1.00 0.00 O ATOM 0 H SER A 13 1.395 -4.788 8.127 1.00 0.00 H new ATOM 0 HA SER A 13 2.031 -5.240 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.436 -4.169 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.921 -3.520 10.079 1.00 0.00 H new ATOM 0 HG SER A 13 4.300 -6.063 9.014 1.00 0.00 H new ATOM 169 N GLN A 14 2.169 -2.614 11.570 1.00 0.00 N ATOM 170 CA GLN A 14 1.757 -1.329 12.121 1.00 0.00 C ATOM 171 C GLN A 14 1.676 -0.268 11.028 1.00 0.00 C ATOM 172 O GLN A 14 2.695 0.157 10.484 1.00 0.00 O ATOM 173 CB GLN A 14 2.733 -0.881 13.210 1.00 0.00 C ATOM 174 CG GLN A 14 4.181 -0.837 12.749 1.00 0.00 C ATOM 175 CD GLN A 14 5.160 -0.765 13.905 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.817 -1.751 14.239 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.262 0.407 14.521 1.00 0.00 N ATOM 0 H GLN A 14 3.011 -3.005 11.994 1.00 0.00 H new ATOM 0 HA GLN A 14 0.766 -1.451 12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.442 0.109 13.562 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.652 -1.558 14.060 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.395 -1.723 12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.326 0.027 12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.697 1.198 14.210 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.905 0.517 15.305 1.00 0.00 H new ATOM 186 N LEU A 15 0.457 0.154 10.710 1.00 0.00 N ATOM 187 CA LEU A 15 0.242 1.165 9.681 1.00 0.00 C ATOM 188 C LEU A 15 0.327 2.569 10.271 1.00 0.00 C ATOM 189 O LEU A 15 -0.600 3.032 10.935 1.00 0.00 O ATOM 190 CB LEU A 15 -1.120 0.962 9.015 1.00 0.00 C ATOM 191 CG LEU A 15 -1.626 2.119 8.153 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.936 2.117 6.798 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.136 2.039 7.986 1.00 0.00 C ATOM 0 H LEU A 15 -0.397 -0.188 11.150 1.00 0.00 H new ATOM 0 HA LEU A 15 1.026 1.057 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.068 0.068 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.857 0.766 9.794 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.386 3.055 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.309 2.947 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.140 2.224 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.143 1.178 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.478 2.870 7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.399 1.097 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.614 2.092 8.964 1.00 0.00 H new ATOM 205 N SER A 16 1.446 3.243 10.021 1.00 0.00 N ATOM 206 CA SER A 16 1.653 4.594 10.529 1.00 0.00 C ATOM 207 C SER A 16 1.560 5.618 9.402 1.00 0.00 C ATOM 208 O SER A 16 1.625 5.269 8.223 1.00 0.00 O ATOM 209 CB SER A 16 3.015 4.699 11.217 1.00 0.00 C ATOM 210 OG SER A 16 3.150 3.722 12.235 1.00 0.00 O ATOM 0 H SER A 16 2.222 2.876 9.470 1.00 0.00 H new ATOM 0 HA SER A 16 0.869 4.807 11.256 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.808 4.573 10.480 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.133 5.694 11.646 1.00 0.00 H new ATOM 0 HG SER A 16 4.030 3.810 12.658 1.00 0.00 H new ATOM 216 N VAL A 17 1.406 6.885 9.773 1.00 0.00 N ATOM 217 CA VAL A 17 1.305 7.962 8.795 1.00 0.00 C ATOM 218 C VAL A 17 2.540 8.855 8.830 1.00 0.00 C ATOM 219 O VAL A 17 3.004 9.250 9.900 1.00 0.00 O ATOM 220 CB VAL A 17 0.053 8.826 9.039 1.00 0.00 C ATOM 221 CG1 VAL A 17 0.037 10.020 8.098 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.209 7.992 8.878 1.00 0.00 C ATOM 0 H VAL A 17 1.348 7.191 10.744 1.00 0.00 H new ATOM 0 HA VAL A 17 1.228 7.492 7.814 1.00 0.00 H new ATOM 0 HB VAL A 17 0.085 9.201 10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.855 10.619 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.925 10.629 8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.029 9.670 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.084 8.618 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.250 7.586 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.198 7.173 9.597 1.00 0.00 H new ATOM 232 N THR A 18 3.069 9.170 7.652 1.00 0.00 N ATOM 233 CA THR A 18 4.251 10.016 7.547 1.00 0.00 C ATOM 234 C THR A 18 4.002 11.195 6.614 1.00 0.00 C ATOM 235 O THR A 18 3.217 11.098 5.671 1.00 0.00 O ATOM 236 CB THR A 18 5.468 9.220 7.038 1.00 0.00 C ATOM 237 OG1 THR A 18 5.356 9.005 5.626 1.00 0.00 O ATOM 238 CG2 THR A 18 5.578 7.882 7.753 1.00 0.00 C ATOM 0 H THR A 18 2.697 8.852 6.757 1.00 0.00 H new ATOM 0 HA THR A 18 4.463 10.388 8.549 1.00 0.00 H new ATOM 0 HB THR A 18 6.367 9.800 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.134 8.500 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.445 7.338 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.692 8.050 8.824 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.676 7.297 7.572 1.00 0.00 H new ATOM 246 N ASP A 19 4.677 12.308 6.881 1.00 0.00 N ATOM 247 CA ASP A 19 4.530 13.506 6.063 1.00 0.00 C ATOM 248 C ASP A 19 3.107 14.049 6.146 1.00 0.00 C ATOM 249 O ASP A 19 2.519 14.435 5.135 1.00 0.00 O ATOM 250 CB ASP A 19 4.890 13.203 4.608 1.00 0.00 C ATOM 251 CG ASP A 19 6.362 13.419 4.319 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.865 14.528 4.595 1.00 0.00 O ATOM 253 OD2 ASP A 19 7.013 12.478 3.816 1.00 0.00 O ATOM 0 H ASP A 19 5.331 12.405 7.658 1.00 0.00 H new ATOM 0 HA ASP A 19 5.212 14.265 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.625 12.171 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.297 13.838 3.950 1.00 0.00 H new ATOM 258 N VAL A 20 2.558 14.076 7.356 1.00 0.00 N ATOM 259 CA VAL A 20 1.204 14.572 7.571 1.00 0.00 C ATOM 260 C VAL A 20 1.016 15.947 6.939 1.00 0.00 C ATOM 261 O VAL A 20 1.465 16.958 7.479 1.00 0.00 O ATOM 262 CB VAL A 20 0.870 14.659 9.072 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.622 14.873 9.276 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.342 13.407 9.796 1.00 0.00 C ATOM 0 H VAL A 20 3.030 13.760 8.203 1.00 0.00 H new ATOM 0 HA VAL A 20 0.527 13.861 7.097 1.00 0.00 H new ATOM 0 HB VAL A 20 1.396 15.515 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.839 14.932 10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.926 15.801 8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.172 14.039 8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.098 13.486 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.846 12.533 9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.421 13.304 9.679 1.00 0.00 H new ATOM 274 N THR A 21 0.347 15.977 5.790 1.00 0.00 N ATOM 275 CA THR A 21 0.099 17.227 5.083 1.00 0.00 C ATOM 276 C THR A 21 -1.139 17.930 5.628 1.00 0.00 C ATOM 277 O THR A 21 -1.969 17.318 6.302 1.00 0.00 O ATOM 278 CB THR A 21 -0.082 16.991 3.572 1.00 0.00 C ATOM 279 OG1 THR A 21 0.811 15.965 3.126 1.00 0.00 O ATOM 280 CG2 THR A 21 0.176 18.270 2.790 1.00 0.00 C ATOM 0 H THR A 21 -0.033 15.150 5.330 1.00 0.00 H new ATOM 0 HA THR A 21 0.972 17.859 5.242 1.00 0.00 H new ATOM 0 HB THR A 21 -1.111 16.678 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.688 15.820 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.042 18.079 1.725 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.525 19.040 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.196 18.609 2.972 1.00 0.00 H new ATOM 288 N THR A 22 -1.259 19.221 5.332 1.00 0.00 N ATOM 289 CA THR A 22 -2.396 20.008 5.793 1.00 0.00 C ATOM 290 C THR A 22 -3.715 19.352 5.399 1.00 0.00 C ATOM 291 O THR A 22 -4.643 19.271 6.203 1.00 0.00 O ATOM 292 CB THR A 22 -2.357 21.439 5.223 1.00 0.00 C ATOM 293 OG1 THR A 22 -2.576 21.409 3.808 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.021 22.103 5.520 1.00 0.00 C ATOM 0 H THR A 22 -0.583 19.743 4.775 1.00 0.00 H new ATOM 0 HA THR A 22 -2.327 20.056 6.880 1.00 0.00 H new ATOM 0 HB THR A 22 -3.147 22.018 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.551 22.322 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.017 23.112 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.870 22.151 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.217 21.523 5.067 1.00 0.00 H new ATOM 302 N SER A 23 -3.790 18.885 4.157 1.00 0.00 N ATOM 303 CA SER A 23 -4.997 18.239 3.655 1.00 0.00 C ATOM 304 C SER A 23 -4.669 16.887 3.030 1.00 0.00 C ATOM 305 O SER A 23 -5.464 16.332 2.271 1.00 0.00 O ATOM 306 CB SER A 23 -5.690 19.135 2.626 1.00 0.00 C ATOM 307 OG SER A 23 -6.285 20.260 3.249 1.00 0.00 O ATOM 0 H SER A 23 -3.029 18.942 3.480 1.00 0.00 H new ATOM 0 HA SER A 23 -5.670 18.077 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.966 19.468 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.452 18.564 2.096 1.00 0.00 H new ATOM 0 HG SER A 23 -7.128 19.993 3.671 1.00 0.00 H new ATOM 313 N SER A 24 -3.492 16.362 3.354 1.00 0.00 N ATOM 314 CA SER A 24 -3.055 15.076 2.821 1.00 0.00 C ATOM 315 C SER A 24 -2.038 14.421 3.750 1.00 0.00 C ATOM 316 O SER A 24 -1.657 14.990 4.774 1.00 0.00 O ATOM 317 CB SER A 24 -2.449 15.256 1.428 1.00 0.00 C ATOM 318 OG SER A 24 -1.865 16.539 1.288 1.00 0.00 O ATOM 0 H SER A 24 -2.823 16.807 3.983 1.00 0.00 H new ATOM 0 HA SER A 24 -3.927 14.426 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.695 14.489 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.222 15.120 0.671 1.00 0.00 H new ATOM 0 HG SER A 24 -1.483 16.628 0.390 1.00 0.00 H new ATOM 324 N LEU A 25 -1.601 13.220 3.386 1.00 0.00 N ATOM 325 CA LEU A 25 -0.627 12.485 4.186 1.00 0.00 C ATOM 326 C LEU A 25 -0.162 11.229 3.457 1.00 0.00 C ATOM 327 O LEU A 25 -0.604 10.945 2.344 1.00 0.00 O ATOM 328 CB LEU A 25 -1.229 12.110 5.541 1.00 0.00 C ATOM 329 CG LEU A 25 -2.739 11.866 5.560 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.059 10.462 5.072 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.297 12.087 6.958 1.00 0.00 C ATOM 0 H LEU A 25 -1.906 12.735 2.542 1.00 0.00 H new ATOM 0 HA LEU A 25 0.237 13.130 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.731 11.210 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.001 12.906 6.250 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.212 12.579 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.138 10.307 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.694 10.339 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.575 9.732 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.372 11.909 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.818 11.398 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.100 13.113 7.270 1.00 0.00 H new ATOM 343 N ARG A 26 0.731 10.478 4.094 1.00 0.00 N ATOM 344 CA ARG A 26 1.255 9.251 3.508 1.00 0.00 C ATOM 345 C ARG A 26 1.218 8.107 4.517 1.00 0.00 C ATOM 346 O ARG A 26 1.330 8.325 5.724 1.00 0.00 O ATOM 347 CB ARG A 26 2.688 9.466 3.018 1.00 0.00 C ATOM 348 CG ARG A 26 3.320 8.221 2.417 1.00 0.00 C ATOM 349 CD ARG A 26 4.815 8.401 2.207 1.00 0.00 C ATOM 350 NE ARG A 26 5.107 9.349 1.134 1.00 0.00 N ATOM 351 CZ ARG A 26 6.338 9.696 0.774 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.386 9.175 1.398 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.522 10.565 -0.211 1.00 0.00 N ATOM 0 H ARG A 26 1.106 10.698 5.016 1.00 0.00 H new ATOM 0 HA ARG A 26 0.624 8.985 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.693 10.261 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.301 9.808 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.144 7.369 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.842 7.993 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.272 8.750 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.267 7.437 1.972 1.00 0.00 H new ATOM 0 HE ARG A 26 4.323 9.767 0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.248 8.506 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.330 9.443 1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.718 10.968 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.467 10.831 -0.487 1.00 0.00 H new ATOM 367 N LEU A 27 1.059 6.887 4.014 1.00 0.00 N ATOM 368 CA LEU A 27 1.006 5.708 4.871 1.00 0.00 C ATOM 369 C LEU A 27 2.141 4.743 4.541 1.00 0.00 C ATOM 370 O LEU A 27 2.735 4.814 3.466 1.00 0.00 O ATOM 371 CB LEU A 27 -0.341 5.000 4.716 1.00 0.00 C ATOM 372 CG LEU A 27 -1.538 5.681 5.381 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.816 5.384 4.613 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.668 5.235 6.830 1.00 0.00 C ATOM 0 H LEU A 27 0.965 6.689 3.018 1.00 0.00 H new ATOM 0 HA LEU A 27 1.121 6.036 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.553 4.895 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.249 3.993 5.124 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.373 6.758 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.657 5.877 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.721 5.754 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.987 4.308 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.525 5.730 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.810 4.155 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.762 5.501 7.375 1.00 0.00 H new ATOM 386 N ASN A 28 2.434 3.842 5.472 1.00 0.00 N ATOM 387 CA ASN A 28 3.497 2.861 5.279 1.00 0.00 C ATOM 388 C ASN A 28 3.252 1.619 6.131 1.00 0.00 C ATOM 389 O ASN A 28 3.258 1.686 7.360 1.00 0.00 O ATOM 390 CB ASN A 28 4.854 3.474 5.630 1.00 0.00 C ATOM 391 CG ASN A 28 5.221 4.627 4.716 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.948 4.452 3.738 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.719 5.815 5.032 1.00 0.00 N ATOM 0 H ASN A 28 1.951 3.770 6.368 1.00 0.00 H new ATOM 0 HA ASN A 28 3.499 2.566 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.836 3.824 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.624 2.705 5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.932 6.629 4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.121 5.914 5.852 1.00 0.00 H new ATOM 400 N TRP A 29 3.038 0.488 5.469 1.00 0.00 N ATOM 401 CA TRP A 29 2.792 -0.770 6.165 1.00 0.00 C ATOM 402 C TRP A 29 3.683 -1.879 5.616 1.00 0.00 C ATOM 403 O TRP A 29 3.977 -1.917 4.422 1.00 0.00 O ATOM 404 CB TRP A 29 1.321 -1.169 6.034 1.00 0.00 C ATOM 405 CG TRP A 29 0.881 -1.359 4.614 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.903 -2.521 3.897 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.355 -0.355 3.739 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.422 -2.300 2.629 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.079 -0.980 2.507 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.089 1.010 3.876 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.449 -0.285 1.422 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.435 1.698 2.798 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.700 1.050 1.584 1.00 0.00 C ATOM 0 H TRP A 29 3.030 0.416 4.452 1.00 0.00 H new ATOM 0 HA TRP A 29 3.030 -0.627 7.219 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.152 -2.094 6.586 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.701 -0.403 6.499 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.248 -3.474 4.271 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.335 -3.005 1.897 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.289 1.518 4.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.653 -0.782 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.644 2.753 2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.110 1.615 0.760 1.00 0.00 H new ATOM 424 N GLU A 30 4.109 -2.779 6.496 1.00 0.00 N ATOM 425 CA GLU A 30 4.968 -3.888 6.098 1.00 0.00 C ATOM 426 C GLU A 30 4.154 -5.165 5.908 1.00 0.00 C ATOM 427 O GLU A 30 3.288 -5.489 6.720 1.00 0.00 O ATOM 428 CB GLU A 30 6.060 -4.118 7.145 1.00 0.00 C ATOM 429 CG GLU A 30 7.010 -5.251 6.795 1.00 0.00 C ATOM 430 CD GLU A 30 7.958 -5.590 7.929 1.00 0.00 C ATOM 431 OE1 GLU A 30 7.599 -6.444 8.767 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.058 -5.001 7.980 1.00 0.00 O ATOM 0 H GLU A 30 3.874 -2.762 7.488 1.00 0.00 H new ATOM 0 HA GLU A 30 5.435 -3.630 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.633 -3.199 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.591 -4.332 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.432 -6.137 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.588 -4.976 5.913 1.00 0.00 H new ATOM 439 N ALA A 31 4.439 -5.886 4.828 1.00 0.00 N ATOM 440 CA ALA A 31 3.736 -7.128 4.531 1.00 0.00 C ATOM 441 C ALA A 31 4.665 -8.140 3.871 1.00 0.00 C ATOM 442 O ALA A 31 5.572 -7.787 3.117 1.00 0.00 O ATOM 443 CB ALA A 31 2.533 -6.852 3.640 1.00 0.00 C ATOM 0 H ALA A 31 5.152 -5.631 4.144 1.00 0.00 H new ATOM 0 HA ALA A 31 3.388 -7.554 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.017 -7.788 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.852 -6.170 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.868 -6.400 2.706 1.00 0.00 H new ATOM 449 N PRO A 32 4.436 -9.430 4.159 1.00 0.00 N ATOM 450 CA PRO A 32 5.243 -10.521 3.603 1.00 0.00 C ATOM 451 C PRO A 32 5.008 -10.711 2.108 1.00 0.00 C ATOM 452 O PRO A 32 4.016 -10.247 1.547 1.00 0.00 O ATOM 453 CB PRO A 32 4.763 -11.749 4.380 1.00 0.00 C ATOM 454 CG PRO A 32 3.377 -11.408 4.809 1.00 0.00 C ATOM 455 CD PRO A 32 3.371 -9.923 5.049 1.00 0.00 C ATOM 0 HA PRO A 32 6.311 -10.329 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.776 -12.642 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.405 -11.950 5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.653 -11.682 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.104 -11.951 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.406 -9.480 4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.576 -9.684 6.092 1.00 0.00 H new ATOM 463 N PRO A 33 5.942 -11.411 1.446 1.00 0.00 N ATOM 464 CA PRO A 33 5.858 -11.680 0.008 1.00 0.00 C ATOM 465 C PRO A 33 4.741 -12.660 -0.335 1.00 0.00 C ATOM 466 O PRO A 33 4.488 -13.611 0.404 1.00 0.00 O ATOM 467 CB PRO A 33 7.224 -12.290 -0.319 1.00 0.00 C ATOM 468 CG PRO A 33 7.691 -12.882 0.966 1.00 0.00 C ATOM 469 CD PRO A 33 7.151 -11.994 2.052 1.00 0.00 C ATOM 0 HA PRO A 33 5.630 -10.779 -0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.143 -13.048 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.919 -11.533 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.327 -13.903 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.780 -12.925 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.916 -12.559 2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.869 -11.225 2.336 1.00 0.00 H new ATOM 477 N GLY A 34 4.075 -12.421 -1.461 1.00 0.00 N ATOM 478 CA GLY A 34 2.993 -13.292 -1.881 1.00 0.00 C ATOM 479 C GLY A 34 1.926 -13.446 -0.816 1.00 0.00 C ATOM 480 O GLY A 34 1.326 -14.512 -0.679 1.00 0.00 O ATOM 0 H GLY A 34 4.265 -11.640 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.541 -12.893 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.397 -14.273 -2.131 1.00 0.00 H new ATOM 484 N ALA A 35 1.689 -12.380 -0.059 1.00 0.00 N ATOM 485 CA ALA A 35 0.687 -12.401 0.999 1.00 0.00 C ATOM 486 C ALA A 35 -0.685 -12.006 0.463 1.00 0.00 C ATOM 487 O ALA A 35 -1.648 -12.765 0.573 1.00 0.00 O ATOM 488 CB ALA A 35 1.098 -11.476 2.135 1.00 0.00 C ATOM 0 H ALA A 35 2.178 -11.490 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 35 0.620 -13.420 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.340 -11.502 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.054 -11.804 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.195 -10.458 1.758 1.00 0.00 H new ATOM 494 N PHE A 36 -0.768 -10.812 -0.115 1.00 0.00 N ATOM 495 CA PHE A 36 -2.023 -10.315 -0.666 1.00 0.00 C ATOM 496 C PHE A 36 -1.852 -9.905 -2.126 1.00 0.00 C ATOM 497 O PHE A 36 -0.740 -9.636 -2.580 1.00 0.00 O ATOM 498 CB PHE A 36 -2.529 -9.126 0.154 1.00 0.00 C ATOM 499 CG PHE A 36 -2.348 -9.298 1.635 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.322 -9.923 2.397 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.204 -8.836 2.265 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.158 -10.082 3.760 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.035 -8.993 3.627 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.013 -9.618 4.376 1.00 0.00 C ATOM 0 H PHE A 36 0.019 -10.171 -0.214 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.756 -11.120 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.005 -8.225 -0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.587 -8.972 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.219 -10.290 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.435 -8.347 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.925 -10.569 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.139 -8.627 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.882 -9.743 5.441 1.00 0.00 H new ATOM 514 N ASP A 37 -2.961 -9.860 -2.855 1.00 0.00 N ATOM 515 CA ASP A 37 -2.935 -9.482 -4.264 1.00 0.00 C ATOM 516 C ASP A 37 -2.951 -7.965 -4.420 1.00 0.00 C ATOM 517 O ASP A 37 -2.387 -7.423 -5.370 1.00 0.00 O ATOM 518 CB ASP A 37 -4.127 -10.096 -5.000 1.00 0.00 C ATOM 519 CG ASP A 37 -3.935 -10.106 -6.504 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.881 -10.591 -6.965 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.840 -9.629 -7.220 1.00 0.00 O ATOM 0 H ASP A 37 -3.889 -10.080 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.012 -9.864 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.281 -11.117 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.029 -9.536 -4.755 1.00 0.00 H new ATOM 526 N SER A 38 -3.601 -7.285 -3.481 1.00 0.00 N ATOM 527 CA SER A 38 -3.695 -5.830 -3.517 1.00 0.00 C ATOM 528 C SER A 38 -4.072 -5.276 -2.146 1.00 0.00 C ATOM 529 O SER A 38 -4.236 -6.027 -1.184 1.00 0.00 O ATOM 530 CB SER A 38 -4.726 -5.390 -4.558 1.00 0.00 C ATOM 531 OG SER A 38 -5.832 -6.275 -4.587 1.00 0.00 O ATOM 0 H SER A 38 -4.070 -7.718 -2.686 1.00 0.00 H new ATOM 0 HA SER A 38 -2.718 -5.434 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.070 -4.381 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.260 -5.353 -5.543 1.00 0.00 H new ATOM 0 HG SER A 38 -6.477 -5.971 -5.259 1.00 0.00 H new ATOM 537 N PHE A 39 -4.206 -3.957 -2.065 1.00 0.00 N ATOM 538 CA PHE A 39 -4.562 -3.300 -0.813 1.00 0.00 C ATOM 539 C PHE A 39 -5.595 -2.202 -1.049 1.00 0.00 C ATOM 540 O PHE A 39 -5.347 -1.248 -1.788 1.00 0.00 O ATOM 541 CB PHE A 39 -3.316 -2.710 -0.149 1.00 0.00 C ATOM 542 CG PHE A 39 -2.513 -3.718 0.622 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.043 -4.334 1.744 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.228 -4.049 0.225 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.307 -5.262 2.456 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.487 -4.977 0.932 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.027 -5.583 2.050 1.00 0.00 C ATOM 0 H PHE A 39 -4.073 -3.322 -2.852 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.998 -4.048 -0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.683 -2.263 -0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.618 -1.907 0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.044 -4.086 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.800 -3.577 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.732 -5.735 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.513 -5.228 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.449 -6.307 2.605 1.00 0.00 H new ATOM 557 N LEU A 40 -6.755 -2.343 -0.416 1.00 0.00 N ATOM 558 CA LEU A 40 -7.827 -1.364 -0.557 1.00 0.00 C ATOM 559 C LEU A 40 -7.931 -0.488 0.687 1.00 0.00 C ATOM 560 O LEU A 40 -8.454 -0.914 1.718 1.00 0.00 O ATOM 561 CB LEU A 40 -9.160 -2.071 -0.810 1.00 0.00 C ATOM 562 CG LEU A 40 -10.270 -1.213 -1.418 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.906 -0.796 -2.835 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.593 -1.965 -1.405 1.00 0.00 C ATOM 0 H LEU A 40 -6.977 -3.126 0.200 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.594 -0.726 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.979 -2.918 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.519 -2.477 0.136 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.380 -0.313 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.707 -0.186 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.982 -0.219 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.768 -1.684 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.372 -1.339 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.496 -2.882 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.860 -2.213 -0.378 1.00 0.00 H new ATOM 576 N LEU A 41 -7.432 0.739 0.584 1.00 0.00 N ATOM 577 CA LEU A 41 -7.470 1.677 1.700 1.00 0.00 C ATOM 578 C LEU A 41 -8.761 2.490 1.684 1.00 0.00 C ATOM 579 O LEU A 41 -9.075 3.156 0.698 1.00 0.00 O ATOM 580 CB LEU A 41 -6.263 2.615 1.645 1.00 0.00 C ATOM 581 CG LEU A 41 -6.220 3.717 2.705 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.528 3.219 3.965 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.519 4.953 2.162 1.00 0.00 C ATOM 0 H LEU A 41 -6.996 1.107 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.435 1.103 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.358 2.015 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.237 3.084 0.661 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.244 3.988 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.507 4.016 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.073 2.364 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.508 2.919 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.498 5.726 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.499 4.697 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.057 5.323 1.289 1.00 0.00 H new ATOM 595 N ARG A 42 -9.504 2.431 2.785 1.00 0.00 N ATOM 596 CA ARG A 42 -10.761 3.162 2.897 1.00 0.00 C ATOM 597 C ARG A 42 -10.655 4.265 3.946 1.00 0.00 C ATOM 598 O ARG A 42 -10.487 3.992 5.135 1.00 0.00 O ATOM 599 CB ARG A 42 -11.900 2.207 3.258 1.00 0.00 C ATOM 600 CG ARG A 42 -12.591 1.599 2.049 1.00 0.00 C ATOM 601 CD ARG A 42 -13.733 0.683 2.462 1.00 0.00 C ATOM 602 NE ARG A 42 -14.706 0.504 1.388 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.668 1.379 1.114 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.784 2.488 1.831 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.516 1.145 0.120 1.00 0.00 N ATOM 0 H ARG A 42 -9.258 1.885 3.611 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.974 3.621 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.506 1.405 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.637 2.743 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.974 2.394 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.867 1.037 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.332 -0.288 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.232 1.098 3.338 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.644 -0.339 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.134 2.672 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.523 3.158 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.430 0.293 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.254 1.817 -0.090 1.00 0.00 H new ATOM 619 N PHE A 43 -10.755 5.512 3.498 1.00 0.00 N ATOM 620 CA PHE A 43 -10.670 6.657 4.398 1.00 0.00 C ATOM 621 C PHE A 43 -12.012 7.376 4.492 1.00 0.00 C ATOM 622 O PHE A 43 -12.503 7.929 3.509 1.00 0.00 O ATOM 623 CB PHE A 43 -9.590 7.629 3.918 1.00 0.00 C ATOM 624 CG PHE A 43 -9.549 7.791 2.426 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.138 6.746 1.614 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.920 8.987 1.834 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.099 6.891 0.240 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.884 9.138 0.461 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.471 8.089 -0.337 1.00 0.00 C ATOM 0 H PHE A 43 -10.895 5.756 2.517 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.405 6.290 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.760 8.603 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.618 7.279 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.845 5.807 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.241 9.812 2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.778 6.068 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.178 10.075 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.439 8.206 -1.410 1.00 0.00 H new ATOM 639 N GLY A 44 -12.601 7.362 5.684 1.00 0.00 N ATOM 640 CA GLY A 44 -13.882 8.015 5.886 1.00 0.00 C ATOM 641 C GLY A 44 -13.867 8.968 7.065 1.00 0.00 C ATOM 642 O GLY A 44 -13.027 8.850 7.957 1.00 0.00 O ATOM 0 H GLY A 44 -12.214 6.911 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.154 8.563 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.651 7.259 6.044 1.00 0.00 H new ATOM 646 N VAL A 45 -14.799 9.916 7.069 1.00 0.00 N ATOM 647 CA VAL A 45 -14.890 10.894 8.147 1.00 0.00 C ATOM 648 C VAL A 45 -15.627 10.318 9.351 1.00 0.00 C ATOM 649 O VAL A 45 -16.832 10.070 9.312 1.00 0.00 O ATOM 650 CB VAL A 45 -15.609 12.174 7.683 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.690 13.183 8.819 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.904 12.774 6.476 1.00 0.00 C ATOM 0 H VAL A 45 -15.502 10.027 6.338 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.869 11.144 8.435 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.625 11.912 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.201 14.081 8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.243 12.749 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.684 13.442 9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.426 13.678 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.876 13.022 6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.904 12.053 5.659 1.00 0.00 H new ATOM 662 N PRO A 46 -14.887 10.098 10.448 1.00 0.00 N ATOM 663 CA PRO A 46 -15.449 9.549 11.685 1.00 0.00 C ATOM 664 C PRO A 46 -16.375 10.536 12.388 1.00 0.00 C ATOM 665 O PRO A 46 -15.929 11.556 12.911 1.00 0.00 O ATOM 666 CB PRO A 46 -14.213 9.272 12.544 1.00 0.00 C ATOM 667 CG PRO A 46 -13.179 10.217 12.037 1.00 0.00 C ATOM 668 CD PRO A 46 -13.444 10.369 10.564 1.00 0.00 C ATOM 0 HA PRO A 46 -16.062 8.667 11.498 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.420 9.441 13.601 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.886 8.237 12.445 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.245 11.178 12.547 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.176 9.830 12.215 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.193 11.370 10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.854 9.667 9.975 1.00 0.00 H new ATOM 676 N SER A 47 -17.667 10.223 12.397 1.00 0.00 N ATOM 677 CA SER A 47 -18.657 11.084 13.033 1.00 0.00 C ATOM 678 C SER A 47 -19.235 10.419 14.279 1.00 0.00 C ATOM 679 O SER A 47 -19.460 9.210 14.321 1.00 0.00 O ATOM 680 CB SER A 47 -19.782 11.417 12.051 1.00 0.00 C ATOM 681 OG SER A 47 -20.539 12.528 12.499 1.00 0.00 O ATOM 0 H SER A 47 -18.052 9.380 11.971 1.00 0.00 H new ATOM 0 HA SER A 47 -18.160 12.007 13.332 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.360 11.633 11.069 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.435 10.552 11.934 1.00 0.00 H new ATOM 0 HG SER A 47 -21.064 12.271 13.286 1.00 0.00 H new ATOM 687 N PRO A 48 -19.482 11.229 15.320 1.00 0.00 N ATOM 688 CA PRO A 48 -20.037 10.742 16.587 1.00 0.00 C ATOM 689 C PRO A 48 -21.492 10.308 16.453 1.00 0.00 C ATOM 690 O PRO A 48 -22.135 10.563 15.435 1.00 0.00 O ATOM 691 CB PRO A 48 -19.923 11.956 17.513 1.00 0.00 C ATOM 692 CG PRO A 48 -19.927 13.132 16.599 1.00 0.00 C ATOM 693 CD PRO A 48 -19.238 12.681 15.341 1.00 0.00 C ATOM 0 HA PRO A 48 -19.510 9.860 16.951 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -20.756 11.998 18.215 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -19.008 11.918 18.105 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.945 13.460 16.390 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -19.405 13.977 17.048 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.651 13.171 14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -18.172 12.909 15.363 1.00 0.00 H new ATOM 701 N SER A 49 -22.007 9.653 17.489 1.00 0.00 N ATOM 702 CA SER A 49 -23.387 9.181 17.485 1.00 0.00 C ATOM 703 C SER A 49 -24.240 9.991 18.457 1.00 0.00 C ATOM 704 O SER A 49 -25.317 9.556 18.867 1.00 0.00 O ATOM 705 CB SER A 49 -23.441 7.697 17.855 1.00 0.00 C ATOM 706 OG SER A 49 -24.635 7.098 17.381 1.00 0.00 O ATOM 0 H SER A 49 -21.490 9.437 18.341 1.00 0.00 H new ATOM 0 HA SER A 49 -23.788 9.312 16.480 1.00 0.00 H new ATOM 0 HB2 SER A 49 -22.579 7.182 17.432 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.379 7.586 18.938 1.00 0.00 H new ATOM 0 HG SER A 49 -25.404 7.638 17.658 1.00 0.00 H new ATOM 712 N THR A 50 -23.751 11.171 18.823 1.00 0.00 N ATOM 713 CA THR A 50 -24.466 12.042 19.747 1.00 0.00 C ATOM 714 C THR A 50 -25.203 13.149 19.001 1.00 0.00 C ATOM 715 O THR A 50 -26.219 13.660 19.473 1.00 0.00 O ATOM 716 CB THR A 50 -23.510 12.679 20.773 1.00 0.00 C ATOM 717 OG1 THR A 50 -24.241 13.536 21.657 1.00 0.00 O ATOM 718 CG2 THR A 50 -22.418 13.474 20.075 1.00 0.00 C ATOM 0 H THR A 50 -22.862 11.546 18.493 1.00 0.00 H new ATOM 0 HA THR A 50 -25.189 11.418 20.273 1.00 0.00 H new ATOM 0 HB THR A 50 -23.043 11.879 21.347 1.00 0.00 H new ATOM 0 HG1 THR A 50 -23.627 13.936 22.307 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.756 13.914 20.820 1.00 0.00 H new ATOM 0 HG22 THR A 50 -21.845 12.812 19.426 1.00 0.00 H new ATOM 0 HG23 THR A 50 -22.870 14.266 19.478 1.00 0.00 H new ATOM 726 N LEU A 51 -24.685 13.516 17.834 1.00 0.00 N ATOM 727 CA LEU A 51 -25.294 14.563 17.022 1.00 0.00 C ATOM 728 C LEU A 51 -26.169 13.962 15.926 1.00 0.00 C ATOM 729 O LEU A 51 -26.000 12.802 15.550 1.00 0.00 O ATOM 730 CB LEU A 51 -24.212 15.447 16.399 1.00 0.00 C ATOM 731 CG LEU A 51 -24.630 16.877 16.055 1.00 0.00 C ATOM 732 CD1 LEU A 51 -24.393 17.801 17.240 1.00 0.00 C ATOM 733 CD2 LEU A 51 -23.876 17.373 14.830 1.00 0.00 C ATOM 0 H LEU A 51 -23.844 13.104 17.429 1.00 0.00 H new ATOM 0 HA LEU A 51 -25.923 15.172 17.671 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -23.367 15.492 17.086 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.857 14.965 15.488 1.00 0.00 H new ATOM 0 HG LEU A 51 -25.696 16.879 15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -24.696 18.815 16.977 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -24.978 17.457 18.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -23.335 17.795 17.500 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -24.186 18.392 14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -22.805 17.356 15.031 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -24.096 16.726 13.981 1.00 0.00 H new ATOM 745 N GLU A 52 -27.102 14.760 15.417 1.00 0.00 N ATOM 746 CA GLU A 52 -28.002 14.306 14.363 1.00 0.00 C ATOM 747 C GLU A 52 -27.263 14.176 13.034 1.00 0.00 C ATOM 748 O GLU A 52 -26.242 14.822 12.798 1.00 0.00 O ATOM 749 CB GLU A 52 -29.177 15.275 14.213 1.00 0.00 C ATOM 750 CG GLU A 52 -30.225 15.134 15.304 1.00 0.00 C ATOM 751 CD GLU A 52 -31.247 16.254 15.279 1.00 0.00 C ATOM 752 OE1 GLU A 52 -30.922 17.364 15.751 1.00 0.00 O ATOM 753 OE2 GLU A 52 -32.372 16.021 14.788 1.00 0.00 O ATOM 0 H GLU A 52 -27.254 15.723 15.717 1.00 0.00 H new ATOM 0 HA GLU A 52 -28.383 13.324 14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -28.797 16.297 14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -29.649 15.113 13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -30.736 14.178 15.190 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -29.732 15.118 16.276 1.00 0.00 H new ATOM 760 N PRO A 53 -27.790 13.320 12.146 1.00 0.00 N ATOM 761 CA PRO A 53 -27.196 13.085 10.826 1.00 0.00 C ATOM 762 C PRO A 53 -27.343 14.289 9.901 1.00 0.00 C ATOM 763 O PRO A 53 -28.311 15.044 9.998 1.00 0.00 O ATOM 764 CB PRO A 53 -27.994 11.895 10.286 1.00 0.00 C ATOM 765 CG PRO A 53 -29.302 11.963 10.995 1.00 0.00 C ATOM 766 CD PRO A 53 -29.005 12.517 12.361 1.00 0.00 C ATOM 0 HA PRO A 53 -26.123 12.904 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -28.125 11.964 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -27.484 10.953 10.486 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -30.004 12.602 10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -29.759 10.976 11.065 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -29.828 13.126 12.736 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -28.839 11.723 13.089 1.00 0.00 H new ATOM 774 N HIS A 54 -26.378 14.461 9.004 1.00 0.00 N ATOM 775 CA HIS A 54 -26.401 15.573 8.061 1.00 0.00 C ATOM 776 C HIS A 54 -27.323 15.268 6.884 1.00 0.00 C ATOM 777 O HIS A 54 -27.394 14.140 6.396 1.00 0.00 O ATOM 778 CB HIS A 54 -24.989 15.869 7.554 1.00 0.00 C ATOM 779 CG HIS A 54 -24.733 17.324 7.311 1.00 0.00 C ATOM 780 ND1 HIS A 54 -24.597 17.864 6.049 1.00 0.00 N ATOM 781 CD2 HIS A 54 -24.589 18.355 8.176 1.00 0.00 C ATOM 782 CE1 HIS A 54 -24.379 19.163 6.149 1.00 0.00 C ATOM 783 NE2 HIS A 54 -24.370 19.486 7.430 1.00 0.00 N ATOM 0 H HIS A 54 -25.571 13.845 8.910 1.00 0.00 H new ATOM 0 HA HIS A 54 -26.783 16.451 8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -24.266 15.498 8.280 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -24.822 15.319 6.628 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.637 18.298 9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.233 19.845 5.324 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.224 20.424 7.804 1.00 0.00 H new ATOM 792 N PRO A 55 -28.048 16.296 6.417 1.00 0.00 N ATOM 793 CA PRO A 55 -28.979 16.162 5.293 1.00 0.00 C ATOM 794 C PRO A 55 -28.259 15.941 3.967 1.00 0.00 C ATOM 795 O PRO A 55 -28.890 15.678 2.944 1.00 0.00 O ATOM 796 CB PRO A 55 -29.717 17.503 5.283 1.00 0.00 C ATOM 797 CG PRO A 55 -28.773 18.461 5.924 1.00 0.00 C ATOM 798 CD PRO A 55 -28.014 17.668 6.951 1.00 0.00 C ATOM 0 HA PRO A 55 -29.635 15.299 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -29.964 17.811 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -30.655 17.443 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -28.097 18.895 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -29.311 19.288 6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -26.992 18.030 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -28.483 17.729 7.933 1.00 0.00 H new ATOM 806 N ARG A 56 -26.934 16.048 3.993 1.00 0.00 N ATOM 807 CA ARG A 56 -26.128 15.860 2.793 1.00 0.00 C ATOM 808 C ARG A 56 -25.163 14.691 2.964 1.00 0.00 C ATOM 809 O ARG A 56 -24.492 14.553 3.988 1.00 0.00 O ATOM 810 CB ARG A 56 -25.349 17.137 2.471 1.00 0.00 C ATOM 811 CG ARG A 56 -24.440 17.006 1.260 1.00 0.00 C ATOM 812 CD ARG A 56 -23.479 18.180 1.156 1.00 0.00 C ATOM 813 NE ARG A 56 -24.052 19.291 0.401 1.00 0.00 N ATOM 814 CZ ARG A 56 -23.329 20.283 -0.108 1.00 0.00 C ATOM 815 NH1 ARG A 56 -22.014 20.301 0.054 1.00 0.00 N ATOM 816 NH2 ARG A 56 -23.923 21.259 -0.783 1.00 0.00 N ATOM 0 H ARG A 56 -26.396 16.264 4.832 1.00 0.00 H new ATOM 0 HA ARG A 56 -26.800 15.635 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -26.055 17.950 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -24.749 17.415 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -23.875 16.076 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -25.044 16.947 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -23.213 18.521 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -22.557 17.852 0.675 1.00 0.00 H new ATOM 0 HE ARG A 56 -25.062 19.306 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -21.554 19.552 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.462 21.064 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -24.935 21.248 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -23.368 22.020 -1.174 1.00 0.00 H new ATOM 830 N PRO A 57 -25.089 13.830 1.939 1.00 0.00 N ATOM 831 CA PRO A 57 -24.208 12.658 1.952 1.00 0.00 C ATOM 832 C PRO A 57 -22.734 13.039 1.865 1.00 0.00 C ATOM 833 O PRO A 57 -22.394 14.166 1.501 1.00 0.00 O ATOM 834 CB PRO A 57 -24.634 11.881 0.703 1.00 0.00 C ATOM 835 CG PRO A 57 -25.212 12.910 -0.205 1.00 0.00 C ATOM 836 CD PRO A 57 -25.858 13.933 0.688 1.00 0.00 C ATOM 0 HA PRO A 57 -24.300 12.089 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -23.785 11.378 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -25.367 11.111 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -24.438 13.365 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.942 12.467 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.798 14.934 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -26.915 13.717 0.847 1.00 0.00 H new ATOM 844 N LEU A 58 -21.863 12.094 2.201 1.00 0.00 N ATOM 845 CA LEU A 58 -20.424 12.331 2.161 1.00 0.00 C ATOM 846 C LEU A 58 -19.749 11.413 1.147 1.00 0.00 C ATOM 847 O LEU A 58 -19.756 10.191 1.299 1.00 0.00 O ATOM 848 CB LEU A 58 -19.813 12.116 3.547 1.00 0.00 C ATOM 849 CG LEU A 58 -20.536 12.793 4.712 1.00 0.00 C ATOM 850 CD1 LEU A 58 -19.894 12.407 6.035 1.00 0.00 C ATOM 851 CD2 LEU A 58 -20.533 14.304 4.536 1.00 0.00 C ATOM 0 H LEU A 58 -22.128 11.157 2.504 1.00 0.00 H new ATOM 0 HA LEU A 58 -20.259 13.364 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.775 11.044 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.783 12.473 3.528 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.571 12.451 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.422 12.898 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.950 11.326 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.850 12.720 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -21.052 14.769 5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -19.505 14.664 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.040 14.563 3.607 1.00 0.00 H new ATOM 863 N LEU A 59 -19.165 12.010 0.114 1.00 0.00 N ATOM 864 CA LEU A 59 -18.483 11.246 -0.925 1.00 0.00 C ATOM 865 C LEU A 59 -17.262 10.528 -0.360 1.00 0.00 C ATOM 866 O LEU A 59 -16.355 11.159 0.182 1.00 0.00 O ATOM 867 CB LEU A 59 -18.061 12.169 -2.070 1.00 0.00 C ATOM 868 CG LEU A 59 -17.773 11.488 -3.409 1.00 0.00 C ATOM 869 CD1 LEU A 59 -19.071 11.159 -4.131 1.00 0.00 C ATOM 870 CD2 LEU A 59 -16.887 12.371 -4.276 1.00 0.00 C ATOM 0 H LEU A 59 -19.150 13.020 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 59 -19.178 10.498 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.847 12.908 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.168 12.712 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.244 10.555 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.846 10.675 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.670 10.488 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -19.628 12.078 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.692 11.871 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -17.390 13.320 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.943 12.555 -3.763 1.00 0.00 H new ATOM 882 N GLN A 60 -17.246 9.205 -0.492 1.00 0.00 N ATOM 883 CA GLN A 60 -16.135 8.402 0.004 1.00 0.00 C ATOM 884 C GLN A 60 -15.238 7.945 -1.142 1.00 0.00 C ATOM 885 O GLN A 60 -15.650 7.945 -2.302 1.00 0.00 O ATOM 886 CB GLN A 60 -16.659 7.188 0.772 1.00 0.00 C ATOM 887 CG GLN A 60 -17.290 6.130 -0.119 1.00 0.00 C ATOM 888 CD GLN A 60 -18.755 6.400 -0.399 1.00 0.00 C ATOM 889 OE1 GLN A 60 -19.095 7.209 -1.263 1.00 0.00 O ATOM 890 NE2 GLN A 60 -19.632 5.723 0.332 1.00 0.00 N ATOM 0 H GLN A 60 -17.989 8.667 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.544 9.023 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.837 6.739 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -17.395 7.521 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -16.746 6.084 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -17.189 5.154 0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -19.306 5.062 1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -20.632 5.863 0.188 1.00 0.00 H new ATOM 899 N ARG A 61 -14.012 7.557 -0.809 1.00 0.00 N ATOM 900 CA ARG A 61 -13.057 7.099 -1.811 1.00 0.00 C ATOM 901 C ARG A 61 -12.092 6.078 -1.215 1.00 0.00 C ATOM 902 O ARG A 61 -11.916 6.012 0.001 1.00 0.00 O ATOM 903 CB ARG A 61 -12.275 8.284 -2.380 1.00 0.00 C ATOM 904 CG ARG A 61 -11.827 8.084 -3.818 1.00 0.00 C ATOM 905 CD ARG A 61 -10.636 8.966 -4.159 1.00 0.00 C ATOM 906 NE ARG A 61 -11.037 10.340 -4.446 1.00 0.00 N ATOM 907 CZ ARG A 61 -11.551 10.728 -5.608 1.00 0.00 C ATOM 908 NH1 ARG A 61 -11.726 9.850 -6.586 1.00 0.00 N ATOM 909 NH2 ARG A 61 -11.891 11.997 -5.794 1.00 0.00 N ATOM 0 H ARG A 61 -13.656 7.551 0.147 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.614 6.620 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.895 9.179 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.399 8.463 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.563 7.038 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.653 8.310 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.931 8.960 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.114 8.553 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.916 11.040 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.466 8.874 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.121 10.151 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.758 12.676 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.286 12.294 -6.687 1.00 0.00 H new ATOM 923 N GLU A 62 -11.470 5.283 -2.081 1.00 0.00 N ATOM 924 CA GLU A 62 -10.525 4.265 -1.640 1.00 0.00 C ATOM 925 C GLU A 62 -9.329 4.187 -2.585 1.00 0.00 C ATOM 926 O GLU A 62 -9.427 4.544 -3.760 1.00 0.00 O ATOM 927 CB GLU A 62 -11.212 2.900 -1.557 1.00 0.00 C ATOM 928 CG GLU A 62 -11.458 2.259 -2.912 1.00 0.00 C ATOM 929 CD GLU A 62 -12.468 3.023 -3.745 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.683 2.809 -3.547 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.046 3.835 -4.594 1.00 0.00 O ATOM 0 H GLU A 62 -11.604 5.325 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.167 4.544 -0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.599 2.230 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.165 3.013 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.516 2.197 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.810 1.238 -2.768 1.00 0.00 H new ATOM 938 N LEU A 63 -8.200 3.720 -2.063 1.00 0.00 N ATOM 939 CA LEU A 63 -6.983 3.595 -2.858 1.00 0.00 C ATOM 940 C LEU A 63 -6.734 2.142 -3.248 1.00 0.00 C ATOM 941 O LEU A 63 -7.191 1.221 -2.572 1.00 0.00 O ATOM 942 CB LEU A 63 -5.784 4.139 -2.080 1.00 0.00 C ATOM 943 CG LEU A 63 -4.615 4.653 -2.922 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.918 6.040 -3.466 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.333 4.668 -2.102 1.00 0.00 C ATOM 0 H LEU A 63 -8.102 3.422 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.112 4.179 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.130 4.951 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.414 3.351 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.475 3.977 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.075 6.389 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.811 5.999 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.085 6.727 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.512 5.036 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.461 5.321 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.107 3.657 -1.762 1.00 0.00 H new ATOM 957 N MET A 64 -6.005 1.945 -4.342 1.00 0.00 N ATOM 958 CA MET A 64 -5.692 0.603 -4.820 1.00 0.00 C ATOM 959 C MET A 64 -4.190 0.434 -5.022 1.00 0.00 C ATOM 960 O MET A 64 -3.593 1.082 -5.882 1.00 0.00 O ATOM 961 CB MET A 64 -6.430 0.320 -6.130 1.00 0.00 C ATOM 962 CG MET A 64 -6.644 -1.161 -6.399 1.00 0.00 C ATOM 963 SD MET A 64 -7.552 -1.983 -5.076 1.00 0.00 S ATOM 964 CE MET A 64 -8.987 -2.577 -5.968 1.00 0.00 C ATOM 0 H MET A 64 -5.620 2.697 -4.914 1.00 0.00 H new ATOM 0 HA MET A 64 -6.021 -0.110 -4.065 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.398 0.820 -6.108 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.866 0.753 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.187 -1.281 -7.336 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.677 -1.647 -6.527 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.638 -3.124 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.530 -1.731 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.667 -3.238 -6.773 1.00 0.00 H new ATOM 974 N VAL A 65 -3.584 -0.439 -4.224 1.00 0.00 N ATOM 975 CA VAL A 65 -2.151 -0.693 -4.316 1.00 0.00 C ATOM 976 C VAL A 65 -1.847 -2.181 -4.183 1.00 0.00 C ATOM 977 O VAL A 65 -2.411 -2.883 -3.344 1.00 0.00 O ATOM 978 CB VAL A 65 -1.374 0.077 -3.233 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.022 0.429 -3.725 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.134 1.329 -2.820 1.00 0.00 C ATOM 0 H VAL A 65 -4.063 -0.983 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.831 -0.346 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.274 -0.565 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.556 0.973 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.564 -0.485 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.053 1.052 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.570 1.861 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.268 1.976 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.110 1.048 -2.423 1.00 0.00 H new ATOM 990 N PRO A 66 -0.933 -2.676 -5.031 1.00 0.00 N ATOM 991 CA PRO A 66 -0.532 -4.086 -5.028 1.00 0.00 C ATOM 992 C PRO A 66 0.274 -4.456 -3.788 1.00 0.00 C ATOM 993 O PRO A 66 0.981 -3.622 -3.223 1.00 0.00 O ATOM 994 CB PRO A 66 0.332 -4.212 -6.285 1.00 0.00 C ATOM 995 CG PRO A 66 0.856 -2.838 -6.524 1.00 0.00 C ATOM 996 CD PRO A 66 -0.221 -1.898 -6.058 1.00 0.00 C ATOM 0 HA PRO A 66 -1.393 -4.755 -5.018 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.143 -4.925 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.253 -4.566 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.783 -2.673 -5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.079 -2.683 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.198 -0.979 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.883 -1.610 -6.874 1.00 0.00 H new ATOM 1004 N GLY A 67 0.164 -5.713 -3.368 1.00 0.00 N ATOM 1005 CA GLY A 67 0.889 -6.171 -2.198 1.00 0.00 C ATOM 1006 C GLY A 67 2.334 -5.713 -2.195 1.00 0.00 C ATOM 1007 O GLY A 67 2.842 -5.243 -1.176 1.00 0.00 O ATOM 0 H GLY A 67 -0.415 -6.422 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.393 -5.803 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.856 -7.260 -2.157 1.00 0.00 H new ATOM 1011 N THR A 68 2.999 -5.851 -3.337 1.00 0.00 N ATOM 1012 CA THR A 68 4.395 -5.451 -3.462 1.00 0.00 C ATOM 1013 C THR A 68 4.596 -4.010 -3.007 1.00 0.00 C ATOM 1014 O THR A 68 5.663 -3.650 -2.508 1.00 0.00 O ATOM 1015 CB THR A 68 4.893 -5.594 -4.912 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.186 -4.994 -5.048 1.00 0.00 O ATOM 1017 CG2 THR A 68 3.922 -4.941 -5.885 1.00 0.00 C ATOM 0 H THR A 68 2.593 -6.237 -4.189 1.00 0.00 H new ATOM 0 HA THR A 68 4.973 -6.116 -2.821 1.00 0.00 H new ATOM 0 HB THR A 68 4.959 -6.657 -5.146 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.496 -5.091 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.295 -5.055 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.946 -5.419 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.829 -3.881 -5.649 1.00 0.00 H new ATOM 1025 N ARG A 69 3.566 -3.190 -3.182 1.00 0.00 N ATOM 1026 CA ARG A 69 3.630 -1.787 -2.790 1.00 0.00 C ATOM 1027 C ARG A 69 2.785 -1.531 -1.545 1.00 0.00 C ATOM 1028 O ARG A 69 1.589 -1.822 -1.524 1.00 0.00 O ATOM 1029 CB ARG A 69 3.154 -0.892 -3.936 1.00 0.00 C ATOM 1030 CG ARG A 69 4.280 -0.395 -4.828 1.00 0.00 C ATOM 1031 CD ARG A 69 3.749 0.447 -5.978 1.00 0.00 C ATOM 1032 NE ARG A 69 3.319 -0.376 -7.105 1.00 0.00 N ATOM 1033 CZ ARG A 69 2.722 0.113 -8.186 1.00 0.00 C ATOM 1034 NH1 ARG A 69 2.485 1.413 -8.286 1.00 0.00 N ATOM 1035 NH2 ARG A 69 2.361 -0.700 -9.171 1.00 0.00 N ATOM 0 H ARG A 69 2.676 -3.473 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 69 4.668 -1.548 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.437 -1.444 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.625 -0.034 -3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.981 0.195 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.834 -1.246 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.911 1.050 -5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.524 1.139 -6.309 1.00 0.00 H new ATOM 0 HE ARG A 69 3.486 -1.381 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.761 2.041 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.026 1.785 -9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.542 -1.701 -9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.903 -0.324 -10.001 1.00 0.00 H new ATOM 1049 N HIS A 70 3.415 -0.985 -0.510 1.00 0.00 N ATOM 1050 CA HIS A 70 2.721 -0.690 0.738 1.00 0.00 C ATOM 1051 C HIS A 70 2.721 0.810 1.018 1.00 0.00 C ATOM 1052 O HIS A 70 3.358 1.275 1.963 1.00 0.00 O ATOM 1053 CB HIS A 70 3.377 -1.437 1.900 1.00 0.00 C ATOM 1054 CG HIS A 70 3.848 -2.812 1.538 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.044 -3.053 0.895 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.278 -4.024 1.735 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.188 -4.353 0.710 1.00 0.00 C ATOM 1058 NE2 HIS A 70 4.130 -4.965 1.212 1.00 0.00 N ATOM 0 H HIS A 70 4.405 -0.738 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 70 1.688 -1.024 0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.224 -0.855 2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.665 -1.510 2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.713 -2.339 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.329 -4.215 2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.028 -4.834 0.230 1.00 0.00 H new ATOM 1067 N SER A 71 2.002 1.561 0.190 1.00 0.00 N ATOM 1068 CA SER A 71 1.923 3.009 0.345 1.00 0.00 C ATOM 1069 C SER A 71 0.515 3.512 0.038 1.00 0.00 C ATOM 1070 O SER A 71 -0.206 2.919 -0.763 1.00 0.00 O ATOM 1071 CB SER A 71 2.934 3.698 -0.572 1.00 0.00 C ATOM 1072 OG SER A 71 2.801 3.246 -1.909 1.00 0.00 O ATOM 0 H SER A 71 1.466 1.191 -0.595 1.00 0.00 H new ATOM 0 HA SER A 71 2.159 3.252 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.788 4.777 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.945 3.500 -0.217 1.00 0.00 H new ATOM 0 HG SER A 71 3.457 3.703 -2.476 1.00 0.00 H new ATOM 1078 N ALA A 72 0.132 4.609 0.683 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.187 5.194 0.478 1.00 0.00 C ATOM 1080 C ALA A 72 -1.194 6.674 0.843 1.00 0.00 C ATOM 1081 O ALA A 72 -0.871 7.047 1.971 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.229 4.442 1.292 1.00 0.00 C ATOM 0 H ALA A 72 0.717 5.110 1.352 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.436 5.107 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.210 4.889 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.250 3.398 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.975 4.499 2.350 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.564 7.514 -0.118 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.613 8.955 0.103 1.00 0.00 C ATOM 1090 C VAL A 73 -2.982 9.520 -0.260 1.00 0.00 C ATOM 1091 O VAL A 73 -3.409 9.453 -1.413 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.535 9.686 -0.719 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.620 11.188 -0.495 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.849 9.163 -0.365 1.00 0.00 C ATOM 0 H VAL A 73 -1.834 7.222 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.424 9.119 1.164 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.713 9.490 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.149 11.688 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.602 11.547 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.468 11.407 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.599 9.690 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.040 9.328 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.901 8.096 -0.582 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.668 10.077 0.733 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.990 10.655 0.519 1.00 0.00 C ATOM 1106 C LEU A 74 -4.894 12.157 0.273 1.00 0.00 C ATOM 1107 O LEU A 74 -4.013 12.829 0.811 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.889 10.381 1.726 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.251 8.916 1.974 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.340 8.158 0.659 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -5.234 8.265 2.900 1.00 0.00 C ATOM 0 H LEU A 74 -3.330 10.140 1.693 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.425 10.188 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.395 10.768 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.812 10.947 1.602 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.228 8.880 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.598 7.117 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.107 8.610 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.378 8.203 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.507 7.223 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.245 8.313 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.220 8.792 3.854 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.807 12.678 -0.541 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.825 14.101 -0.857 1.00 0.00 C ATOM 1125 C ARG A 75 -7.217 14.688 -0.638 1.00 0.00 C ATOM 1126 O ARG A 75 -8.185 13.956 -0.432 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.386 14.329 -2.305 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.923 14.003 -2.556 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.520 14.317 -3.988 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.078 14.208 -4.188 1.00 0.00 N ATOM 1131 CZ ARG A 75 -1.480 14.407 -5.357 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.198 14.725 -6.426 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -0.163 14.290 -5.459 1.00 0.00 N ATOM 0 H ARG A 75 -6.543 12.136 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.127 14.605 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.004 13.718 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.568 15.370 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.299 14.573 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.744 12.948 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.032 13.635 -4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.846 15.325 -4.243 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.497 13.965 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.211 14.817 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.737 14.878 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.392 14.047 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.295 14.443 -6.358 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.308 16.013 -0.683 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.580 16.699 -0.490 1.00 0.00 C ATOM 1149 C ASP A 76 -9.122 16.454 0.915 1.00 0.00 C ATOM 1150 O ASP A 76 -10.334 16.439 1.131 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.598 16.232 -1.531 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.131 16.482 -2.951 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -8.119 15.875 -3.359 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.778 17.285 -3.656 1.00 0.00 O ATOM 0 H ASP A 76 -6.516 16.633 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.410 17.769 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.788 15.167 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.544 16.748 -1.367 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.216 16.261 1.867 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.602 16.015 3.252 1.00 0.00 C ATOM 1161 C LEU A 77 -8.775 17.327 4.010 1.00 0.00 C ATOM 1162 O LEU A 77 -8.178 18.344 3.655 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.554 15.145 3.948 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.204 13.829 3.253 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.370 12.947 4.168 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.469 13.104 2.817 1.00 0.00 C ATOM 0 H LEU A 77 -7.209 16.270 1.705 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.557 15.490 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.640 15.729 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.909 14.918 4.953 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.614 14.055 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.131 12.015 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.447 13.464 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.933 12.728 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.201 12.169 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.085 12.890 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.028 13.733 2.124 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.594 17.297 5.056 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.845 18.484 5.865 1.00 0.00 C ATOM 1180 C ARG A 78 -8.590 18.895 6.631 1.00 0.00 C ATOM 1181 O ARG A 78 -7.760 18.056 6.978 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.991 18.227 6.845 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.694 19.493 7.306 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.096 19.198 7.816 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.822 20.418 8.158 1.00 0.00 N ATOM 1186 CZ ARG A 78 -15.147 20.494 8.212 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.887 19.426 7.948 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.735 21.641 8.531 1.00 0.00 N ATOM 0 H ARG A 78 -10.095 16.464 5.363 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.124 19.297 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.720 17.568 6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.602 17.700 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.111 19.967 8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.748 20.202 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.650 18.648 7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.035 18.555 8.694 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.282 21.258 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.439 18.543 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.904 19.487 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.169 22.465 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.753 21.698 8.572 1.00 0.00 H new ATOM 1202 N SER A 79 -8.460 20.192 6.889 1.00 0.00 N ATOM 1203 CA SER A 79 -7.305 20.716 7.609 1.00 0.00 C ATOM 1204 C SER A 79 -7.467 20.518 9.113 1.00 0.00 C ATOM 1205 O SER A 79 -8.535 20.765 9.672 1.00 0.00 O ATOM 1206 CB SER A 79 -7.113 22.201 7.297 1.00 0.00 C ATOM 1207 OG SER A 79 -8.063 22.994 7.986 1.00 0.00 O ATOM 0 H SER A 79 -9.140 20.899 6.610 1.00 0.00 H new ATOM 0 HA SER A 79 -6.423 20.166 7.280 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.106 22.508 7.579 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.208 22.365 6.224 1.00 0.00 H new ATOM 0 HG SER A 79 -7.918 23.939 7.771 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.397 20.068 9.763 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.441 19.844 11.196 1.00 0.00 C ATOM 1215 C GLY A 80 -7.627 18.998 11.615 1.00 0.00 C ATOM 1216 O GLY A 80 -8.408 19.395 12.481 1.00 0.00 O ATOM 0 H GLY A 80 -5.502 19.855 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.520 19.355 11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.484 20.804 11.710 1.00 0.00 H new ATOM 1220 N THR A 81 -7.764 17.828 10.999 1.00 0.00 N ATOM 1221 CA THR A 81 -8.865 16.925 11.310 1.00 0.00 C ATOM 1222 C THR A 81 -8.382 15.483 11.409 1.00 0.00 C ATOM 1223 O THR A 81 -7.423 15.091 10.742 1.00 0.00 O ATOM 1224 CB THR A 81 -9.979 17.010 10.249 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.348 18.377 10.035 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.199 16.211 10.681 1.00 0.00 C ATOM 0 H THR A 81 -7.126 17.484 10.282 1.00 0.00 H new ATOM 0 HA THR A 81 -9.267 17.238 12.274 1.00 0.00 H new ATOM 0 HB THR A 81 -9.599 16.587 9.319 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.322 18.465 10.091 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.972 16.286 9.916 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.921 15.166 10.815 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.580 16.608 11.622 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.051 14.696 12.244 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.690 13.294 12.430 1.00 0.00 C ATOM 1236 C LEU A 82 -9.430 12.405 11.436 1.00 0.00 C ATOM 1237 O LEU A 82 -10.661 12.383 11.405 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.003 12.852 13.860 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.303 11.579 14.338 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.686 10.397 13.460 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.793 11.772 14.346 1.00 0.00 C ATOM 0 H LEU A 82 -9.846 15.004 12.803 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.619 13.193 12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.737 13.664 14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.080 12.705 13.946 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.628 11.369 15.357 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.178 9.500 13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.764 10.245 13.504 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.390 10.598 12.430 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.311 10.856 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.451 12.007 13.338 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.534 12.591 15.017 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.673 11.672 10.628 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.257 10.781 9.633 1.00 0.00 C ATOM 1255 C TYR A 83 -9.067 9.321 10.031 1.00 0.00 C ATOM 1256 O TYR A 83 -8.046 8.951 10.611 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.629 11.033 8.261 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.338 12.099 7.457 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -10.398 11.775 6.618 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -8.948 13.430 7.535 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -11.048 12.746 5.882 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -9.593 14.408 6.803 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.643 14.061 5.978 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.287 15.032 5.246 1.00 0.00 O ATOM 0 H TYR A 83 -7.653 11.677 10.642 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.326 10.988 9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.587 11.324 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.629 10.102 7.694 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.719 10.747 6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.126 13.705 8.179 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.869 12.477 5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.277 15.438 6.876 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.033 15.394 5.768 1.00 0.00 H new ATOM 1274 N SER A 84 -10.059 8.494 9.715 1.00 0.00 N ATOM 1275 CA SER A 84 -10.004 7.074 10.042 1.00 0.00 C ATOM 1276 C SER A 84 -9.629 6.248 8.816 1.00 0.00 C ATOM 1277 O SER A 84 -10.436 6.068 7.903 1.00 0.00 O ATOM 1278 CB SER A 84 -11.351 6.604 10.595 1.00 0.00 C ATOM 1279 OG SER A 84 -11.346 5.207 10.831 1.00 0.00 O ATOM 0 H SER A 84 -10.910 8.783 9.233 1.00 0.00 H new ATOM 0 HA SER A 84 -9.237 6.931 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.571 7.132 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.144 6.854 9.890 1.00 0.00 H new ATOM 0 HG SER A 84 -12.217 4.932 11.185 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.398 5.748 8.801 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.914 4.940 7.687 1.00 0.00 C ATOM 1287 C LEU A 85 -7.999 3.453 8.015 1.00 0.00 C ATOM 1288 O LEU A 85 -7.780 3.044 9.156 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.471 5.318 7.348 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.079 6.773 7.607 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.587 6.883 7.883 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.471 7.649 6.426 1.00 0.00 C ATOM 0 H LEU A 85 -7.717 5.888 9.547 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.548 5.139 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.804 4.675 7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.297 5.098 6.295 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.617 7.123 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.327 7.926 8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.334 6.287 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.030 6.515 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.185 8.681 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.961 7.299 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.549 7.595 6.275 1.00 0.00 H new ATOM 1304 N THR A 86 -8.317 2.647 7.007 1.00 0.00 N ATOM 1305 CA THR A 86 -8.430 1.206 7.187 1.00 0.00 C ATOM 1306 C THR A 86 -8.000 0.459 5.930 1.00 0.00 C ATOM 1307 O THR A 86 -8.686 0.497 4.907 1.00 0.00 O ATOM 1308 CB THR A 86 -9.871 0.796 7.546 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.385 1.657 8.568 1.00 0.00 O ATOM 1310 CG2 THR A 86 -9.920 -0.649 8.022 1.00 0.00 C ATOM 0 H THR A 86 -8.501 2.969 6.057 1.00 0.00 H new ATOM 0 HA THR A 86 -7.768 0.938 8.010 1.00 0.00 H new ATOM 0 HB THR A 86 -10.485 0.888 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.302 1.391 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.947 -0.916 8.270 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.555 -1.305 7.232 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.293 -0.762 8.906 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.862 -0.221 6.011 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.340 -0.978 4.879 1.00 0.00 C ATOM 1320 C LEU A 87 -6.934 -2.383 4.843 1.00 0.00 C ATOM 1321 O LEU A 87 -7.266 -2.954 5.882 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.814 -1.059 4.954 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.091 -1.337 3.635 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.213 -0.144 2.699 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.628 -1.671 3.889 1.00 0.00 C ATOM 0 H LEU A 87 -6.283 -0.264 6.849 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.626 -0.459 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.440 -0.119 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.546 -1.841 5.664 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.561 -2.197 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.693 -0.359 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.265 0.050 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.768 0.734 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.129 -1.866 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.144 -0.831 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.561 -2.556 4.522 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.063 -2.934 3.642 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.617 -4.272 3.470 1.00 0.00 C ATOM 1339 C TYR A 88 -6.723 -5.121 2.572 1.00 0.00 C ATOM 1340 O TYR A 88 -6.619 -4.875 1.371 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.025 -4.192 2.878 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.069 -3.711 3.861 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.554 -4.551 4.856 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.569 -2.416 3.796 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.508 -4.116 5.755 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.522 -1.972 4.692 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.989 -2.826 5.669 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.938 -2.389 6.564 1.00 0.00 O ATOM 0 H TYR A 88 -6.792 -2.475 2.772 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.669 -4.744 4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.011 -3.522 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.312 -5.177 2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.179 -5.561 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.206 -1.745 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.876 -4.782 6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.899 -0.962 4.628 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.169 -1.457 6.367 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.080 -6.123 3.164 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.203 -6.994 2.404 1.00 0.00 C ATOM 1360 C GLY A 89 -5.968 -7.933 1.492 1.00 0.00 C ATOM 1361 O GLY A 89 -6.223 -9.084 1.847 1.00 0.00 O ATOM 0 H GLY A 89 -6.151 -6.347 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.522 -6.388 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.591 -7.578 3.091 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.336 -7.442 0.314 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.078 -8.245 -0.652 1.00 0.00 C ATOM 1367 C LEU A 90 -6.211 -9.373 -1.203 1.00 0.00 C ATOM 1368 O LEU A 90 -5.277 -9.134 -1.968 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.579 -7.365 -1.799 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.894 -6.625 -1.552 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -10.022 -7.613 -1.298 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.753 -5.662 -0.383 1.00 0.00 C ATOM 0 H LEU A 90 -6.133 -6.492 0.004 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.933 -8.686 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.809 -6.629 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.697 -7.989 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.137 -6.048 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.950 -7.069 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.139 -8.262 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.786 -8.217 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.699 -5.144 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.486 -6.218 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.973 -4.933 -0.604 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.529 -10.602 -0.810 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.780 -11.767 -1.265 1.00 0.00 C ATOM 1386 C ARG A 91 -6.372 -12.323 -2.557 1.00 0.00 C ATOM 1387 O ARG A 91 -5.948 -13.369 -3.046 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.776 -12.851 -0.186 1.00 0.00 C ATOM 1389 CG ARG A 91 -7.166 -13.330 0.201 1.00 0.00 C ATOM 1390 CD ARG A 91 -7.618 -14.490 -0.671 1.00 0.00 C ATOM 1391 NE ARG A 91 -6.797 -15.680 -0.469 1.00 0.00 N ATOM 1392 CZ ARG A 91 -6.961 -16.811 -1.147 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -7.911 -16.903 -2.067 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -6.174 -17.851 -0.906 1.00 0.00 N ATOM 0 H ARG A 91 -7.300 -10.817 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.754 -11.454 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.193 -13.702 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.273 -12.467 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.168 -13.637 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.874 -12.507 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.659 -14.726 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.575 -14.194 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.056 -15.641 0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.517 -16.105 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.035 -17.772 -2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.442 -17.783 -0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.301 -18.718 -1.427 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.354 -11.614 -3.105 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.989 -12.053 -4.335 1.00 0.00 C ATOM 1410 C GLY A 92 -9.419 -11.565 -4.455 1.00 0.00 C ATOM 1411 O GLY A 92 -9.681 -10.367 -4.564 1.00 0.00 O ATOM 0 H GLY A 92 -7.721 -10.744 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.412 -11.692 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.975 -13.142 -4.379 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.373 -12.507 -4.438 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.800 -12.190 -4.547 1.00 0.00 C ATOM 1417 C PRO A 93 -12.334 -11.488 -3.303 1.00 0.00 C ATOM 1418 O PRO A 93 -13.156 -10.575 -3.398 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.457 -13.563 -4.709 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.506 -14.516 -4.070 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.132 -13.954 -4.311 1.00 0.00 C ATOM 0 HA PRO A 93 -12.004 -11.505 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.433 -13.594 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.614 -13.805 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.707 -14.611 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.602 -15.512 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.456 -14.178 -3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.681 -14.367 -5.213 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.862 -11.918 -2.137 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.292 -11.329 -0.874 1.00 0.00 C ATOM 1431 C HIS A 94 -11.093 -10.853 -0.061 1.00 0.00 C ATOM 1432 O HIS A 94 -9.969 -11.315 -0.263 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.103 -12.342 -0.065 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.291 -12.882 -0.799 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.412 -12.128 -1.075 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -14.528 -14.110 -1.318 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.288 -12.869 -1.730 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -15.776 -14.076 -1.890 1.00 0.00 N ATOM 0 H HIS A 94 -11.182 -12.672 -2.041 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.921 -10.468 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.454 -13.171 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.440 -11.871 0.858 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.860 -14.958 -1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.258 -12.543 -2.076 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.233 -14.856 -2.362 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.338 -9.927 0.860 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.279 -9.388 1.705 1.00 0.00 C ATOM 1449 C LYS A 95 -9.816 -10.424 2.724 1.00 0.00 C ATOM 1450 O LYS A 95 -10.628 -11.144 3.303 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.766 -8.129 2.426 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.956 -8.372 3.339 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.590 -7.066 3.787 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.532 -6.512 2.730 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.768 -7.333 2.603 1.00 0.00 N ATOM 0 H LYS A 95 -12.262 -9.534 1.040 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.434 -9.130 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.946 -7.717 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.035 -7.377 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.698 -8.978 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.636 -8.941 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.138 -7.226 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.809 -6.335 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.801 -5.487 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.019 -6.477 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.498 -6.787 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.556 -8.199 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.115 -7.587 3.550 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.506 -10.492 2.938 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.936 -11.437 3.890 1.00 0.00 C ATOM 1471 C ALA A 96 -7.806 -10.811 5.274 1.00 0.00 C ATOM 1472 O ALA A 96 -8.354 -11.322 6.251 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.581 -11.926 3.400 1.00 0.00 C ATOM 0 H ALA A 96 -7.820 -9.904 2.465 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.611 -12.289 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.166 -12.631 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.699 -12.420 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.905 -11.078 3.293 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.076 -9.703 5.351 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.874 -9.007 6.617 1.00 0.00 C ATOM 1481 C ASP A 97 -7.303 -7.547 6.508 1.00 0.00 C ATOM 1482 O ASP A 97 -7.643 -7.069 5.427 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.407 -9.091 7.041 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.585 -7.931 6.513 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -4.610 -7.696 5.287 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.916 -7.259 7.326 1.00 0.00 O ATOM 0 H ASP A 97 -6.615 -9.268 4.552 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.491 -9.493 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.347 -9.110 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.981 -10.028 6.682 1.00 0.00 H new ATOM 1491 N SER A 98 -7.285 -6.845 7.637 1.00 0.00 N ATOM 1492 CA SER A 98 -7.677 -5.441 7.670 1.00 0.00 C ATOM 1493 C SER A 98 -7.103 -4.746 8.901 1.00 0.00 C ATOM 1494 O SER A 98 -7.336 -5.171 10.032 1.00 0.00 O ATOM 1495 CB SER A 98 -9.201 -5.315 7.663 1.00 0.00 C ATOM 1496 OG SER A 98 -9.752 -5.721 8.904 1.00 0.00 O ATOM 0 H SER A 98 -7.003 -7.226 8.540 1.00 0.00 H new ATOM 0 HA SER A 98 -7.276 -4.956 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.483 -4.282 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.616 -5.925 6.860 1.00 0.00 H new ATOM 0 HG SER A 98 -9.064 -5.671 9.600 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.352 -3.674 8.670 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.745 -2.919 9.759 1.00 0.00 C ATOM 1504 C ILE A 99 -6.365 -1.531 9.878 1.00 0.00 C ATOM 1505 O ILE A 99 -6.993 -1.039 8.941 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.224 -2.774 9.565 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.538 -2.516 10.908 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.920 -1.651 8.585 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.078 -2.911 10.927 1.00 0.00 C ATOM 0 H ILE A 99 -6.150 -3.309 7.739 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.934 -3.479 10.675 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.835 -3.705 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.623 -1.457 11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.065 -3.066 11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.841 -1.561 8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.381 -1.873 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.320 -0.713 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.657 -2.700 11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.986 -3.976 10.714 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.537 -2.342 10.171 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.184 -0.905 11.037 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.726 0.427 11.277 1.00 0.00 C ATOM 1523 C GLN A 100 -5.612 1.416 11.606 1.00 0.00 C ATOM 1524 O GLN A 100 -4.810 1.185 12.509 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.743 0.388 12.419 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.059 -0.272 12.039 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.059 -1.765 12.300 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -8.967 -2.207 13.446 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -9.162 -2.553 11.236 1.00 0.00 N ATOM 0 H GLN A 100 -5.667 -1.299 11.823 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.225 0.759 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.308 -0.147 13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.940 1.406 12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.869 0.191 12.602 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.260 -0.091 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.236 -2.145 10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.167 -3.567 11.351 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.570 2.520 10.866 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.551 3.527 11.094 1.00 0.00 C ATOM 1540 C GLY A 101 -5.133 4.919 11.241 1.00 0.00 C ATOM 1541 O GLY A 101 -5.736 5.450 10.307 1.00 0.00 O ATOM 0 H GLY A 101 -6.224 2.735 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.990 3.274 11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.844 3.518 10.265 1.00 0.00 H new ATOM 1545 N THR A 102 -4.956 5.512 12.417 1.00 0.00 N ATOM 1546 CA THR A 102 -5.471 6.849 12.684 1.00 0.00 C ATOM 1547 C THR A 102 -4.387 7.904 12.492 1.00 0.00 C ATOM 1548 O THR A 102 -3.210 7.651 12.744 1.00 0.00 O ATOM 1549 CB THR A 102 -6.031 6.960 14.114 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.136 6.335 15.041 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.403 6.309 14.210 1.00 0.00 C ATOM 0 H THR A 102 -4.460 5.087 13.200 1.00 0.00 H new ATOM 0 HA THR A 102 -6.277 7.025 11.971 1.00 0.00 H new ATOM 0 HB THR A 102 -6.129 8.017 14.361 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.499 6.412 15.948 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.778 6.400 15.229 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.090 6.805 13.525 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.325 5.255 13.945 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.793 9.088 12.045 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.857 10.183 11.822 1.00 0.00 C ATOM 1561 C ALA A 103 -4.582 11.523 11.769 1.00 0.00 C ATOM 1562 O ALA A 103 -5.714 11.609 11.293 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.072 9.953 10.539 1.00 0.00 C ATOM 0 H ALA A 103 -5.764 9.313 11.830 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.161 10.210 12.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.377 10.778 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.515 9.019 10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.761 9.897 9.696 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.923 12.567 12.260 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.506 13.903 12.270 1.00 0.00 C ATOM 1571 C ARG A 104 -3.786 14.818 11.283 1.00 0.00 C ATOM 1572 O ARG A 104 -2.614 15.148 11.466 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.440 14.501 13.676 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.448 15.614 13.913 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.476 16.040 15.372 1.00 0.00 C ATOM 1576 NE ARG A 104 -5.835 17.448 15.525 1.00 0.00 N ATOM 1577 CZ ARG A 104 -5.093 18.449 15.066 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -3.957 18.200 14.429 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -5.486 19.704 15.244 1.00 0.00 N ATOM 0 H ARG A 104 -2.985 12.513 12.656 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.550 13.819 11.967 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.607 13.709 14.406 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.436 14.888 13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.199 16.471 13.288 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.440 15.278 13.612 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.191 15.423 15.916 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.498 15.865 15.820 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.703 17.674 16.011 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.651 17.237 14.290 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.390 18.971 14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.359 19.900 15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.915 20.472 14.891 1.00 0.00 H new ATOM 1593 N THR A 105 -4.496 15.224 10.234 1.00 0.00 N ATOM 1594 CA THR A 105 -3.925 16.098 9.217 1.00 0.00 C ATOM 1595 C THR A 105 -3.502 17.435 9.816 1.00 0.00 C ATOM 1596 O THR A 105 -4.037 17.866 10.838 1.00 0.00 O ATOM 1597 CB THR A 105 -4.923 16.354 8.072 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.218 16.651 8.608 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.014 15.145 7.153 1.00 0.00 C ATOM 0 H THR A 105 -5.467 14.961 10.067 1.00 0.00 H new ATOM 0 HA THR A 105 -3.048 15.588 8.818 1.00 0.00 H new ATOM 0 HB THR A 105 -4.566 17.205 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.804 16.969 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.725 15.349 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.033 14.939 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.349 14.279 7.723 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.541 18.088 9.173 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.046 19.377 9.642 1.00 0.00 C ATOM 1609 C LEU A 106 -3.028 20.494 9.302 1.00 0.00 C ATOM 1610 O LEU A 106 -3.902 20.327 8.452 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.680 19.678 9.021 1.00 0.00 C ATOM 1612 CG LEU A 106 0.498 18.874 9.571 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.775 19.216 8.818 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.670 19.130 11.061 1.00 0.00 C ATOM 0 H LEU A 106 -2.089 17.746 8.325 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.943 19.326 10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.745 19.502 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.466 20.738 9.158 1.00 0.00 H new ATOM 0 HG LEU A 106 0.288 17.814 9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.603 18.634 9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.649 18.980 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.990 20.279 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.513 18.549 11.435 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.857 20.191 11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.237 18.834 11.588 1.00 0.00 H new ATOM 1626 N SER A 107 -2.877 21.632 9.971 1.00 0.00 N ATOM 1627 CA SER A 107 -3.752 22.776 9.742 1.00 0.00 C ATOM 1628 C SER A 107 -2.974 23.943 9.142 1.00 0.00 C ATOM 1629 O SER A 107 -2.238 24.638 9.841 1.00 0.00 O ATOM 1630 CB SER A 107 -4.415 23.209 11.051 1.00 0.00 C ATOM 1631 OG SER A 107 -3.611 22.868 12.167 1.00 0.00 O ATOM 0 H SER A 107 -2.157 21.787 10.676 1.00 0.00 H new ATOM 0 HA SER A 107 -4.525 22.475 9.035 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.586 24.285 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.391 22.733 11.143 1.00 0.00 H new ATOM 0 HG SER A 107 -4.056 23.157 12.991 1.00 0.00 H new ATOM 1637 N GLY A 108 -3.144 24.153 7.840 1.00 0.00 N ATOM 1638 CA GLY A 108 -2.452 25.236 7.167 1.00 0.00 C ATOM 1639 C GLY A 108 -3.402 26.298 6.650 1.00 0.00 C ATOM 1640 O GLY A 108 -4.584 26.045 6.419 1.00 0.00 O ATOM 0 H GLY A 108 -3.749 23.592 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -1.741 25.693 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.875 24.833 6.335 1.00 0.00 H new ATOM 1644 N PRO A 109 -2.883 27.521 6.463 1.00 0.00 N ATOM 1645 CA PRO A 109 -3.677 28.651 5.970 1.00 0.00 C ATOM 1646 C PRO A 109 -4.071 28.487 4.506 1.00 0.00 C ATOM 1647 O PRO A 109 -3.224 28.229 3.650 1.00 0.00 O ATOM 1648 CB PRO A 109 -2.736 29.846 6.139 1.00 0.00 C ATOM 1649 CG PRO A 109 -1.367 29.260 6.098 1.00 0.00 C ATOM 1650 CD PRO A 109 -1.482 27.895 6.718 1.00 0.00 C ATOM 0 HA PRO A 109 -4.619 28.753 6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.878 30.577 5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.917 30.362 7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.002 29.194 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.660 29.881 6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.788 27.188 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -1.260 27.918 7.785 1.00 0.00 H new ATOM 1658 N SER A 110 -5.361 28.639 4.224 1.00 0.00 N ATOM 1659 CA SER A 110 -5.867 28.504 2.863 1.00 0.00 C ATOM 1660 C SER A 110 -7.052 29.437 2.630 1.00 0.00 C ATOM 1661 O SER A 110 -7.728 29.847 3.573 1.00 0.00 O ATOM 1662 CB SER A 110 -6.282 27.057 2.592 1.00 0.00 C ATOM 1663 OG SER A 110 -5.188 26.293 2.117 1.00 0.00 O ATOM 0 H SER A 110 -6.075 28.856 4.920 1.00 0.00 H new ATOM 0 HA SER A 110 -5.068 28.780 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.672 26.610 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.088 27.038 1.859 1.00 0.00 H new ATOM 0 HG SER A 110 -4.351 26.678 2.451 1.00 0.00 H new ATOM 1669 N SER A 111 -7.295 29.769 1.366 1.00 0.00 N ATOM 1670 CA SER A 111 -8.395 30.656 1.007 1.00 0.00 C ATOM 1671 C SER A 111 -9.738 29.948 1.161 1.00 0.00 C ATOM 1672 O SER A 111 -9.881 28.781 0.800 1.00 0.00 O ATOM 1673 CB SER A 111 -8.229 31.153 -0.431 1.00 0.00 C ATOM 1674 OG SER A 111 -8.924 32.371 -0.633 1.00 0.00 O ATOM 0 H SER A 111 -6.745 29.437 0.574 1.00 0.00 H new ATOM 0 HA SER A 111 -8.375 31.510 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.171 31.294 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.601 30.399 -1.125 1.00 0.00 H new ATOM 0 HG SER A 111 -8.801 32.668 -1.559 1.00 0.00 H new ATOM 1680 N GLY A 112 -10.719 30.664 1.701 1.00 0.00 N ATOM 1681 CA GLY A 112 -12.037 30.089 1.894 1.00 0.00 C ATOM 1682 C GLY A 112 -12.825 30.796 2.979 1.00 0.00 C ATOM 1683 O GLY A 112 -12.943 32.021 2.971 1.00 0.00 O ATOM 0 H GLY A 112 -10.625 31.632 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.592 30.137 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -11.936 29.035 2.151 1.00 0.00 H new TER 1687 GLY A 112