USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 958 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 119 CYS SG : rot -171:sc=5.29e-05 USER MOD Set 1.2: A 124 CYS SG : rot -171:sc= -0.401 USER MOD Set 2.1: A 100 SER OG : rot 122:sc= 0.242 USER MOD Set 2.2: A 103 GLN : amide:sc= 0 X(o=0.24,f=0.23) USER MOD Set 3.1: A 58 TYR OH : rot -72:sc= 0.0556 USER MOD Set 3.2: A 60 THR OG1 : rot -160:sc= 0.0448 USER MOD Single : A 9 GLN : amide:sc= 0.0228 K(o=0.023,f=-0.76) USER MOD Single : A 13 GLN : amide:sc= 0.265 K(o=0.27,f=-1.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -136:sc= -0.35 (180deg=-2.03) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.95 K(o=0.95,f=-0.17) USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= -4.76! (180deg=-7.98!) USER MOD Single : A 44 CYS SG : rot 73:sc= 0.89 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.446 F(o=-1.9,f=-0.45) USER MOD Single : A 63 MET CE :methyl -166:sc= -2.44! (180deg=-2.76!) USER MOD Single : A 64 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.8!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.278 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -138:sc= -3.66! (180deg=-6.95!) USER MOD Single : A 74 MET CE :methyl -116:sc= -7.37! (180deg=-12.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 43:sc= 0.731 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -68:sc= -0.222 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -4.07! C(o=-4.1!,f=-7!) USER MOD Single : A 105 THR OG1 : rot 78:sc= 1.15 USER MOD Single : A 106 GLN : amide:sc= 0.133 X(o=0.13,f=-0.0091) USER MOD Single : A 108 ASN : amide:sc= 0.912 K(o=0.91,f=-6.6!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN :FLIP amide:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.073) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 ASN : amide:sc= -2.17 K(o=-2.2,f=-2.9!) USER MOD Single : A 129 THR OG1 : rot -34:sc= 1.22 USER MOD Single : A 135 HIS : no HD1:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 137 SER OG : rot -77:sc= 1.14 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.055 22.365 5.443 1.00 0.00 N ATOM 67 CA GLU A 8 -2.058 21.105 6.178 1.00 0.00 C ATOM 68 C GLU A 8 -2.385 19.936 5.254 1.00 0.00 C ATOM 69 O GLU A 8 -1.983 18.801 5.507 1.00 0.00 O ATOM 70 CB GLU A 8 -3.069 21.161 7.326 1.00 0.00 C ATOM 71 CG GLU A 8 -4.482 21.492 6.876 1.00 0.00 C ATOM 72 CD GLU A 8 -5.492 21.385 8.002 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.335 22.102 9.012 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.442 20.584 7.872 1.00 0.00 O ATOM 0 HA GLU A 8 -1.060 20.952 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.076 20.200 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.743 21.908 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.502 22.503 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.770 20.818 6.069 1.00 0.00 H new ATOM 81 N GLN A 9 -3.119 20.224 4.183 1.00 0.00 N ATOM 82 CA GLN A 9 -3.501 19.196 3.222 1.00 0.00 C ATOM 83 C GLN A 9 -2.272 18.605 2.539 1.00 0.00 C ATOM 84 O GLN A 9 -2.093 17.388 2.507 1.00 0.00 O ATOM 85 CB GLN A 9 -4.452 19.777 2.174 1.00 0.00 C ATOM 86 CG GLN A 9 -5.430 18.759 1.609 1.00 0.00 C ATOM 87 CD GLN A 9 -6.348 19.352 0.559 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.344 20.561 0.325 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.142 18.503 -0.082 1.00 0.00 N ATOM 0 H GLN A 9 -3.460 21.159 3.960 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.011 18.399 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.013 20.598 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.866 20.198 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.873 17.929 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.030 18.348 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.113 17.509 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.781 18.845 -0.800 1.00 0.00 H new ATOM 98 N ALA A 10 -1.430 19.475 1.992 1.00 0.00 N ATOM 99 CA ALA A 10 -0.217 19.040 1.310 1.00 0.00 C ATOM 100 C ALA A 10 0.622 18.135 2.207 1.00 0.00 C ATOM 101 O ALA A 10 1.229 17.173 1.739 1.00 0.00 O ATOM 102 CB ALA A 10 0.598 20.244 0.861 1.00 0.00 C ATOM 0 H ALA A 10 -1.565 20.486 2.008 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.510 18.466 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.501 19.904 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.004 20.851 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.874 20.841 1.730 1.00 0.00 H new ATOM 108 N GLU A 11 0.651 18.452 3.498 1.00 0.00 N ATOM 109 CA GLU A 11 1.417 17.668 4.459 1.00 0.00 C ATOM 110 C GLU A 11 0.729 16.337 4.748 1.00 0.00 C ATOM 111 O GLU A 11 1.379 15.296 4.837 1.00 0.00 O ATOM 112 CB GLU A 11 1.601 18.452 5.760 1.00 0.00 C ATOM 113 CG GLU A 11 2.207 19.831 5.559 1.00 0.00 C ATOM 114 CD GLU A 11 2.514 20.529 6.869 1.00 0.00 C ATOM 115 OE1 GLU A 11 1.668 20.470 7.786 1.00 0.00 O ATOM 116 OE2 GLU A 11 3.600 21.136 6.979 1.00 0.00 O ATOM 0 H GLU A 11 0.153 19.246 3.902 1.00 0.00 H new ATOM 0 HA GLU A 11 2.396 17.465 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.633 18.558 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.239 17.879 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.124 19.740 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.519 20.445 4.977 1.00 0.00 H new ATOM 123 N ALA A 12 -0.592 16.380 4.893 1.00 0.00 N ATOM 124 CA ALA A 12 -1.369 15.178 5.170 1.00 0.00 C ATOM 125 C ALA A 12 -0.835 13.985 4.385 1.00 0.00 C ATOM 126 O ALA A 12 -0.555 12.931 4.955 1.00 0.00 O ATOM 127 CB ALA A 12 -2.837 15.412 4.843 1.00 0.00 C ATOM 0 H ALA A 12 -1.146 17.234 4.823 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.275 14.952 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.406 14.506 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.219 16.231 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.939 15.666 3.788 1.00 0.00 H new ATOM 133 N GLN A 13 -0.696 14.159 3.074 1.00 0.00 N ATOM 134 CA GLN A 13 -0.196 13.095 2.212 1.00 0.00 C ATOM 135 C GLN A 13 1.278 12.820 2.486 1.00 0.00 C ATOM 136 O GLN A 13 1.688 11.668 2.638 1.00 0.00 O ATOM 137 CB GLN A 13 -0.393 13.467 0.741 1.00 0.00 C ATOM 138 CG GLN A 13 -1.848 13.676 0.355 1.00 0.00 C ATOM 139 CD GLN A 13 -2.010 14.587 -0.846 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.033 14.934 -1.511 1.00 0.00 O ATOM 141 NE2 GLN A 13 -3.246 14.979 -1.130 1.00 0.00 N ATOM 0 H GLN A 13 -0.922 15.026 2.587 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.762 12.189 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.165 14.379 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.030 12.680 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.304 12.710 0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.387 14.099 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.026 14.667 -0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.416 15.593 -1.927 1.00 0.00 H new ATOM 150 N LEU A 14 2.072 13.883 2.547 1.00 0.00 N ATOM 151 CA LEU A 14 3.503 13.756 2.803 1.00 0.00 C ATOM 152 C LEU A 14 3.760 12.923 4.055 1.00 0.00 C ATOM 153 O LEU A 14 4.355 11.848 3.985 1.00 0.00 O ATOM 154 CB LEU A 14 4.138 15.139 2.957 1.00 0.00 C ATOM 155 CG LEU A 14 5.634 15.159 3.273 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.442 14.723 2.060 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.064 16.545 3.732 1.00 0.00 C ATOM 0 H LEU A 14 1.750 14.843 2.423 1.00 0.00 H new ATOM 0 HA LEU A 14 3.956 13.248 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.974 15.697 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.612 15.672 3.749 1.00 0.00 H new ATOM 0 HG LEU A 14 5.824 14.455 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.504 14.744 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.154 13.711 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.247 15.402 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.131 16.540 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.859 17.269 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.509 16.819 4.629 1.00 0.00 H new ATOM 169 N ALA A 15 3.307 13.427 5.198 1.00 0.00 N ATOM 170 CA ALA A 15 3.484 12.728 6.464 1.00 0.00 C ATOM 171 C ALA A 15 3.391 11.217 6.275 1.00 0.00 C ATOM 172 O ALA A 15 4.308 10.480 6.634 1.00 0.00 O ATOM 173 CB ALA A 15 2.452 13.200 7.477 1.00 0.00 C ATOM 0 H ALA A 15 2.815 14.317 5.273 1.00 0.00 H new ATOM 0 HA ALA A 15 4.480 12.960 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.596 12.669 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.568 14.271 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.450 12.999 7.097 1.00 0.00 H new ATOM 179 N GLU A 16 2.276 10.764 5.711 1.00 0.00 N ATOM 180 CA GLU A 16 2.063 9.341 5.476 1.00 0.00 C ATOM 181 C GLU A 16 3.239 8.733 4.717 1.00 0.00 C ATOM 182 O GLU A 16 3.703 7.639 5.041 1.00 0.00 O ATOM 183 CB GLU A 16 0.767 9.118 4.694 1.00 0.00 C ATOM 184 CG GLU A 16 0.093 7.791 4.999 1.00 0.00 C ATOM 185 CD GLU A 16 -0.013 7.519 6.487 1.00 0.00 C ATOM 186 OE1 GLU A 16 -0.701 8.293 7.185 1.00 0.00 O ATOM 187 OE2 GLU A 16 0.592 6.531 6.953 1.00 0.00 O ATOM 0 H GLU A 16 1.507 11.362 5.409 1.00 0.00 H new ATOM 0 HA GLU A 16 1.983 8.847 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.073 9.928 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.983 9.169 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.905 7.785 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.654 6.985 4.525 1.00 0.00 H new ATOM 194 N LEU A 17 3.716 9.449 3.705 1.00 0.00 N ATOM 195 CA LEU A 17 4.838 8.981 2.898 1.00 0.00 C ATOM 196 C LEU A 17 6.115 8.913 3.729 1.00 0.00 C ATOM 197 O LEU A 17 6.647 7.832 3.981 1.00 0.00 O ATOM 198 CB LEU A 17 5.046 9.903 1.696 1.00 0.00 C ATOM 199 CG LEU A 17 3.838 10.092 0.778 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.116 11.175 -0.254 1.00 0.00 C ATOM 201 CD2 LEU A 17 3.477 8.782 0.094 1.00 0.00 C ATOM 0 H LEU A 17 3.344 10.356 3.423 1.00 0.00 H new ATOM 0 HA LEU A 17 4.605 7.978 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.355 10.882 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.871 9.511 1.101 1.00 0.00 H new ATOM 0 HG LEU A 17 2.990 10.407 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.245 11.296 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.325 12.117 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.978 10.890 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.615 8.936 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.323 8.437 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.234 8.033 0.848 1.00 0.00 H new ATOM 213 N ASP A 18 6.601 10.075 4.153 1.00 0.00 N ATOM 214 CA ASP A 18 7.814 10.147 4.959 1.00 0.00 C ATOM 215 C ASP A 18 7.801 9.090 6.058 1.00 0.00 C ATOM 216 O ASP A 18 8.776 8.360 6.243 1.00 0.00 O ATOM 217 CB ASP A 18 7.960 11.539 5.575 1.00 0.00 C ATOM 218 CG ASP A 18 9.387 11.843 5.989 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.196 12.205 5.110 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.693 11.719 7.193 1.00 0.00 O ATOM 0 H ASP A 18 6.174 10.979 3.952 1.00 0.00 H new ATOM 0 HA ASP A 18 8.666 9.955 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.626 12.288 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.308 11.618 6.445 1.00 0.00 H new ATOM 225 N LEU A 19 6.692 9.013 6.784 1.00 0.00 N ATOM 226 CA LEU A 19 6.552 8.044 7.866 1.00 0.00 C ATOM 227 C LEU A 19 6.801 6.626 7.364 1.00 0.00 C ATOM 228 O LEU A 19 7.697 5.933 7.849 1.00 0.00 O ATOM 229 CB LEU A 19 5.156 8.140 8.485 1.00 0.00 C ATOM 230 CG LEU A 19 5.021 7.627 9.919 1.00 0.00 C ATOM 231 CD1 LEU A 19 3.811 8.251 10.598 1.00 0.00 C ATOM 232 CD2 LEU A 19 4.919 6.109 9.935 1.00 0.00 C ATOM 0 H LEU A 19 5.876 9.609 6.644 1.00 0.00 H new ATOM 0 HA LEU A 19 7.298 8.276 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.841 9.183 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.462 7.584 7.855 1.00 0.00 H new ATOM 0 HG LEU A 19 5.913 7.918 10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.731 7.874 11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.925 9.335 10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.909 7.992 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.824 5.762 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.044 5.797 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.816 5.679 9.489 1.00 0.00 H new ATOM 244 N LEU A 20 6.006 6.201 6.388 1.00 0.00 N ATOM 245 CA LEU A 20 6.142 4.866 5.818 1.00 0.00 C ATOM 246 C LEU A 20 7.611 4.493 5.647 1.00 0.00 C ATOM 247 O LEU A 20 8.064 3.466 6.151 1.00 0.00 O ATOM 248 CB LEU A 20 5.426 4.791 4.468 1.00 0.00 C ATOM 249 CG LEU A 20 3.904 4.648 4.523 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.286 5.006 3.181 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.516 3.234 4.931 1.00 0.00 C ATOM 0 H LEU A 20 5.261 6.762 5.975 1.00 0.00 H new ATOM 0 HA LEU A 20 5.684 4.156 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.666 5.691 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.831 3.946 3.911 1.00 0.00 H new ATOM 0 HG LEU A 20 3.520 5.340 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.203 4.898 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.535 6.037 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.676 4.340 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.430 3.150 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.912 2.524 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.928 3.014 5.916 1.00 0.00 H new ATOM 263 N ALA A 21 8.352 5.336 4.936 1.00 0.00 N ATOM 264 CA ALA A 21 9.771 5.098 4.703 1.00 0.00 C ATOM 265 C ALA A 21 10.434 4.488 5.933 1.00 0.00 C ATOM 266 O ALA A 21 11.214 3.542 5.825 1.00 0.00 O ATOM 267 CB ALA A 21 10.467 6.394 4.313 1.00 0.00 C ATOM 0 H ALA A 21 7.993 6.191 4.511 1.00 0.00 H new ATOM 0 HA ALA A 21 9.865 4.387 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.526 6.201 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.018 6.788 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.356 7.123 5.116 1.00 0.00 H new ATOM 273 N SER A 22 10.120 5.037 7.102 1.00 0.00 N ATOM 274 CA SER A 22 10.689 4.549 8.353 1.00 0.00 C ATOM 275 C SER A 22 10.030 3.240 8.776 1.00 0.00 C ATOM 276 O SER A 22 10.698 2.321 9.249 1.00 0.00 O ATOM 277 CB SER A 22 10.523 5.597 9.456 1.00 0.00 C ATOM 278 OG SER A 22 11.557 5.492 10.419 1.00 0.00 O ATOM 0 H SER A 22 9.475 5.820 7.209 1.00 0.00 H new ATOM 0 HA SER A 22 11.751 4.365 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.530 6.595 9.018 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.555 5.469 9.941 1.00 0.00 H new ATOM 0 HG SER A 22 11.429 6.173 11.112 1.00 0.00 H new ATOM 284 N MET A 23 8.714 3.164 8.603 1.00 0.00 N ATOM 285 CA MET A 23 7.964 1.967 8.966 1.00 0.00 C ATOM 286 C MET A 23 8.537 0.736 8.272 1.00 0.00 C ATOM 287 O MET A 23 8.468 -0.375 8.800 1.00 0.00 O ATOM 288 CB MET A 23 6.488 2.134 8.598 1.00 0.00 C ATOM 289 CG MET A 23 5.709 2.991 9.582 1.00 0.00 C ATOM 290 SD MET A 23 5.563 2.223 11.207 1.00 0.00 S ATOM 291 CE MET A 23 4.685 0.718 10.792 1.00 0.00 C ATOM 0 H MET A 23 8.146 3.916 8.214 1.00 0.00 H new ATOM 0 HA MET A 23 8.049 1.827 10.044 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.418 2.580 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.023 1.150 8.539 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.201 3.958 9.684 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.713 3.181 9.183 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.893 0.546 11.521 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.248 0.814 9.798 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.378 -0.123 10.804 1.00 0.00 H new ATOM 301 N PHE A 24 9.102 0.938 7.087 1.00 0.00 N ATOM 302 CA PHE A 24 9.686 -0.157 6.321 1.00 0.00 C ATOM 303 C PHE A 24 11.209 -0.069 6.322 1.00 0.00 C ATOM 304 O PHE A 24 11.835 0.319 5.336 1.00 0.00 O ATOM 305 CB PHE A 24 9.164 -0.136 4.883 1.00 0.00 C ATOM 306 CG PHE A 24 7.689 -0.401 4.776 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.772 0.484 5.320 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.221 -1.535 4.132 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.415 0.241 5.224 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.864 -1.782 4.033 1.00 0.00 C ATOM 311 CZ PHE A 24 4.960 -0.892 4.579 1.00 0.00 C ATOM 0 H PHE A 24 9.168 1.850 6.636 1.00 0.00 H new ATOM 0 HA PHE A 24 9.393 -1.095 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.384 0.835 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.702 -0.882 4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.121 1.373 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.924 -2.234 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.710 0.937 5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.511 -2.670 3.529 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.900 -1.082 4.502 1.00 0.00 H new ATOM 357 N ASN A 28 15.387 -3.023 0.929 1.00 0.00 N ATOM 358 CA ASN A 28 14.657 -3.282 -0.307 1.00 0.00 C ATOM 359 C ASN A 28 13.208 -3.659 -0.014 1.00 0.00 C ATOM 360 O ASN A 28 12.672 -4.600 -0.600 1.00 0.00 O ATOM 361 CB ASN A 28 15.337 -4.399 -1.101 1.00 0.00 C ATOM 362 CG ASN A 28 16.848 -4.273 -1.099 1.00 0.00 C ATOM 363 OD1 ASN A 28 17.393 -3.210 -1.398 1.00 0.00 O ATOM 364 ND2 ASN A 28 17.532 -5.360 -0.761 1.00 0.00 N ATOM 0 HA ASN A 28 14.663 -2.368 -0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.055 -5.364 -0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.975 -4.382 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.552 -5.336 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.038 -6.219 -0.521 1.00 0.00 H new ATOM 371 N GLU A 29 12.581 -2.919 0.894 1.00 0.00 N ATOM 372 CA GLU A 29 11.194 -3.177 1.264 1.00 0.00 C ATOM 373 C GLU A 29 10.244 -2.288 0.466 1.00 0.00 C ATOM 374 O GLU A 29 9.366 -2.779 -0.244 1.00 0.00 O ATOM 375 CB GLU A 29 10.991 -2.944 2.763 1.00 0.00 C ATOM 376 CG GLU A 29 11.299 -4.163 3.615 1.00 0.00 C ATOM 377 CD GLU A 29 10.534 -4.168 4.924 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.850 -3.165 5.216 1.00 0.00 O ATOM 379 OE2 GLU A 29 10.619 -5.176 5.657 1.00 0.00 O ATOM 0 H GLU A 29 13.011 -2.136 1.387 1.00 0.00 H new ATOM 0 HA GLU A 29 10.970 -4.218 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.626 -2.118 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.959 -2.640 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.056 -5.065 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.368 -4.195 3.823 1.00 0.00 H new ATOM 386 N LEU A 30 10.426 -0.978 0.590 1.00 0.00 N ATOM 387 CA LEU A 30 9.585 -0.019 -0.118 1.00 0.00 C ATOM 388 C LEU A 30 10.393 0.746 -1.162 1.00 0.00 C ATOM 389 O LEU A 30 11.547 1.105 -0.928 1.00 0.00 O ATOM 390 CB LEU A 30 8.951 0.961 0.870 1.00 0.00 C ATOM 391 CG LEU A 30 8.439 2.274 0.278 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.261 2.800 1.084 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.555 3.307 0.227 1.00 0.00 C ATOM 0 H LEU A 30 11.148 -0.556 1.174 1.00 0.00 H new ATOM 0 HA LEU A 30 8.796 -0.572 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.119 0.460 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.686 1.195 1.641 1.00 0.00 H new ATOM 0 HG LEU A 30 8.100 2.083 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.910 3.735 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.454 2.067 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.574 2.975 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.172 4.235 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.924 3.494 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.369 2.933 -0.394 1.00 0.00 H new ATOM 405 N ILE A 31 9.777 0.993 -2.314 1.00 0.00 N ATOM 406 CA ILE A 31 10.438 1.719 -3.392 1.00 0.00 C ATOM 407 C ILE A 31 9.529 2.801 -3.964 1.00 0.00 C ATOM 408 O ILE A 31 8.411 2.522 -4.398 1.00 0.00 O ATOM 409 CB ILE A 31 10.867 0.771 -4.527 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.860 -0.269 -4.005 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.475 1.562 -5.676 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.198 -1.487 -3.401 1.00 0.00 C ATOM 0 H ILE A 31 8.822 0.701 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 31 11.325 2.184 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 31 9.985 0.249 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.506 -0.585 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.500 0.196 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.773 0.878 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.739 2.267 -6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.349 2.108 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.962 -2.181 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.574 -1.183 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.580 -1.976 -4.154 1.00 0.00 H new ATOM 424 N VAL A 32 10.017 4.038 -3.963 1.00 0.00 N ATOM 425 CA VAL A 32 9.250 5.162 -4.485 1.00 0.00 C ATOM 426 C VAL A 32 9.790 5.616 -5.836 1.00 0.00 C ATOM 427 O VAL A 32 10.718 6.421 -5.906 1.00 0.00 O ATOM 428 CB VAL A 32 9.268 6.355 -3.510 1.00 0.00 C ATOM 429 CG1 VAL A 32 8.643 7.582 -4.156 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.549 5.997 -2.218 1.00 0.00 C ATOM 0 H VAL A 32 10.940 4.286 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 32 8.223 4.816 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 32 10.305 6.590 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.665 8.414 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.205 7.848 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.610 7.364 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.571 6.851 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.514 5.735 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.046 5.148 -1.748 1.00 0.00 H new ATOM 440 N ASN A 33 9.202 5.095 -6.908 1.00 0.00 N ATOM 441 CA ASN A 33 9.625 5.446 -8.259 1.00 0.00 C ATOM 442 C ASN A 33 9.442 6.939 -8.515 1.00 0.00 C ATOM 443 O ASN A 33 10.397 7.646 -8.836 1.00 0.00 O ATOM 444 CB ASN A 33 8.833 4.640 -9.290 1.00 0.00 C ATOM 445 CG ASN A 33 9.496 3.317 -9.622 1.00 0.00 C ATOM 446 OD1 ASN A 33 10.440 3.264 -10.410 1.00 0.00 O ATOM 447 ND2 ASN A 33 9.003 2.241 -9.020 1.00 0.00 N ATOM 0 H ASN A 33 8.431 4.428 -6.867 1.00 0.00 H new ATOM 0 HA ASN A 33 10.684 5.205 -8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.829 4.455 -8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.724 5.228 -10.201 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.408 1.323 -9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.219 2.332 -8.374 1.00 0.00 H new ATOM 454 N ASP A 34 8.209 7.412 -8.370 1.00 0.00 N ATOM 455 CA ASP A 34 7.899 8.821 -8.584 1.00 0.00 C ATOM 456 C ASP A 34 8.608 9.695 -7.553 1.00 0.00 C ATOM 457 O ASP A 34 8.048 10.009 -6.503 1.00 0.00 O ATOM 458 CB ASP A 34 6.389 9.050 -8.513 1.00 0.00 C ATOM 459 CG ASP A 34 5.702 8.793 -9.840 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.180 7.923 -10.597 1.00 0.00 O ATOM 461 OD2 ASP A 34 4.685 9.462 -10.120 1.00 0.00 O ATOM 0 H ASP A 34 7.407 6.840 -8.105 1.00 0.00 H new ATOM 0 HA ASP A 34 8.254 9.099 -9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.961 8.397 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.194 10.075 -8.199 1.00 0.00 H new ATOM 466 N GLN A 35 9.841 10.082 -7.861 1.00 0.00 N ATOM 467 CA GLN A 35 10.626 10.918 -6.961 1.00 0.00 C ATOM 468 C GLN A 35 10.210 12.381 -7.074 1.00 0.00 C ATOM 469 O GLN A 35 9.928 13.037 -6.071 1.00 0.00 O ATOM 470 CB GLN A 35 12.118 10.775 -7.268 1.00 0.00 C ATOM 471 CG GLN A 35 12.734 9.502 -6.711 1.00 0.00 C ATOM 472 CD GLN A 35 12.764 9.483 -5.195 1.00 0.00 C ATOM 473 OE1 GLN A 35 13.277 10.405 -4.561 1.00 0.00 O ATOM 474 NE2 GLN A 35 12.213 8.428 -4.605 1.00 0.00 N ATOM 0 H GLN A 35 10.318 9.830 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 35 10.438 10.584 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.262 10.796 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.649 11.635 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.169 8.642 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.750 9.398 -7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.799 7.686 -5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.204 8.360 -3.587 1.00 0.00 H new ATOM 483 N LEU A 36 10.174 12.887 -8.302 1.00 0.00 N ATOM 484 CA LEU A 36 9.792 14.273 -8.548 1.00 0.00 C ATOM 485 C LEU A 36 8.493 14.617 -7.824 1.00 0.00 C ATOM 486 O LEU A 36 8.397 15.646 -7.158 1.00 0.00 O ATOM 487 CB LEU A 36 9.633 14.521 -10.049 1.00 0.00 C ATOM 488 CG LEU A 36 9.437 15.977 -10.472 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.774 16.698 -10.543 1.00 0.00 C ATOM 490 CD2 LEU A 36 8.716 16.051 -11.810 1.00 0.00 C ATOM 0 H LEU A 36 10.405 12.358 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 36 10.583 14.915 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.516 14.132 -10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.780 13.943 -10.404 1.00 0.00 H new ATOM 0 HG LEU A 36 8.821 16.473 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.614 17.733 -10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.252 16.676 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.416 16.202 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.585 17.095 -12.096 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.306 15.538 -12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.740 15.573 -11.724 1.00 0.00 H new ATOM 502 N ALA A 37 7.499 13.746 -7.959 1.00 0.00 N ATOM 503 CA ALA A 37 6.208 13.955 -7.315 1.00 0.00 C ATOM 504 C ALA A 37 6.379 14.280 -5.835 1.00 0.00 C ATOM 505 O ALA A 37 5.738 15.191 -5.311 1.00 0.00 O ATOM 506 CB ALA A 37 5.326 12.727 -7.489 1.00 0.00 C ATOM 0 H ALA A 37 7.563 12.889 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 37 5.725 14.807 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.365 12.897 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.167 12.540 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.813 11.863 -7.038 1.00 0.00 H new ATOM 512 N VAL A 38 7.247 13.528 -5.165 1.00 0.00 N ATOM 513 CA VAL A 38 7.503 13.736 -3.745 1.00 0.00 C ATOM 514 C VAL A 38 8.252 15.042 -3.508 1.00 0.00 C ATOM 515 O VAL A 38 7.883 15.833 -2.640 1.00 0.00 O ATOM 516 CB VAL A 38 8.316 12.574 -3.145 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.591 12.821 -1.669 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.586 11.254 -3.345 1.00 0.00 C ATOM 0 H VAL A 38 7.785 12.769 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 38 6.532 13.782 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 38 9.273 12.517 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.166 11.990 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.158 13.745 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.646 12.906 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.175 10.444 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.614 11.297 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.445 11.074 -4.411 1.00 0.00 H new ATOM 528 N ALA A 39 9.307 15.263 -4.285 1.00 0.00 N ATOM 529 CA ALA A 39 10.108 16.474 -4.161 1.00 0.00 C ATOM 530 C ALA A 39 9.224 17.717 -4.139 1.00 0.00 C ATOM 531 O ALA A 39 9.284 18.515 -3.205 1.00 0.00 O ATOM 532 CB ALA A 39 11.114 16.561 -5.300 1.00 0.00 C ATOM 0 H ALA A 39 9.627 14.618 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 39 10.649 16.427 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.705 17.471 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.774 15.694 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.584 16.581 -6.252 1.00 0.00 H new ATOM 538 N GLU A 40 8.404 17.873 -5.174 1.00 0.00 N ATOM 539 CA GLU A 40 7.509 19.020 -5.272 1.00 0.00 C ATOM 540 C GLU A 40 6.687 19.179 -3.996 1.00 0.00 C ATOM 541 O GLU A 40 6.573 20.277 -3.451 1.00 0.00 O ATOM 542 CB GLU A 40 6.578 18.866 -6.476 1.00 0.00 C ATOM 543 CG GLU A 40 7.138 19.460 -7.758 1.00 0.00 C ATOM 544 CD GLU A 40 6.285 19.140 -8.971 1.00 0.00 C ATOM 545 OE1 GLU A 40 5.136 19.625 -9.034 1.00 0.00 O ATOM 546 OE2 GLU A 40 6.768 18.403 -9.856 1.00 0.00 O ATOM 0 H GLU A 40 8.341 17.220 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 40 8.118 19.914 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.375 17.807 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.624 19.343 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.216 20.542 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.148 19.082 -7.919 1.00 0.00 H new ATOM 553 N LEU A 41 6.115 18.076 -3.527 1.00 0.00 N ATOM 554 CA LEU A 41 5.302 18.091 -2.316 1.00 0.00 C ATOM 555 C LEU A 41 6.024 18.817 -1.185 1.00 0.00 C ATOM 556 O LEU A 41 5.398 19.487 -0.363 1.00 0.00 O ATOM 557 CB LEU A 41 4.964 16.662 -1.886 1.00 0.00 C ATOM 558 CG LEU A 41 3.674 16.490 -1.084 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.482 17.010 -1.872 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.471 15.029 -0.708 1.00 0.00 C ATOM 0 H LEU A 41 6.199 17.160 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 41 4.378 18.626 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.898 16.041 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.792 16.278 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 41 3.759 17.072 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.573 16.879 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.624 18.068 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.394 16.456 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.548 14.925 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.408 14.426 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.312 14.689 -0.103 1.00 0.00 H new ATOM 572 N LYS A 42 7.345 18.681 -1.150 1.00 0.00 N ATOM 573 CA LYS A 42 8.154 19.326 -0.122 1.00 0.00 C ATOM 574 C LYS A 42 8.301 20.818 -0.403 1.00 0.00 C ATOM 575 O LYS A 42 7.802 21.654 0.351 1.00 0.00 O ATOM 576 CB LYS A 42 9.535 18.672 -0.046 1.00 0.00 C ATOM 577 CG LYS A 42 9.585 17.460 0.868 1.00 0.00 C ATOM 578 CD LYS A 42 9.269 16.179 0.113 1.00 0.00 C ATOM 579 CE LYS A 42 9.961 14.978 0.739 1.00 0.00 C ATOM 580 NZ LYS A 42 9.457 14.702 2.113 1.00 0.00 N ATOM 0 H LYS A 42 7.879 18.130 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 42 7.647 19.202 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.842 18.373 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.258 19.409 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.575 17.383 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.873 17.588 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.191 16.016 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.583 16.281 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.804 14.101 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.036 15.156 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.261 14.534 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.911 15.519 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.847 13.860 2.096 1.00 0.00 H new ATOM 594 N ASP A 43 8.987 21.146 -1.493 1.00 0.00 N ATOM 595 CA ASP A 43 9.198 22.537 -1.874 1.00 0.00 C ATOM 596 C ASP A 43 7.920 23.350 -1.693 1.00 0.00 C ATOM 597 O ASP A 43 7.966 24.520 -1.312 1.00 0.00 O ATOM 598 CB ASP A 43 9.670 22.624 -3.327 1.00 0.00 C ATOM 599 CG ASP A 43 10.160 24.011 -3.694 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.929 24.597 -2.904 1.00 0.00 O ATOM 601 OD2 ASP A 43 9.774 24.511 -4.772 1.00 0.00 O ATOM 0 H ASP A 43 9.406 20.467 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 43 9.968 22.953 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.472 21.904 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.851 22.344 -3.990 1.00 0.00 H new ATOM 606 N CYS A 44 6.782 22.722 -1.968 1.00 0.00 N ATOM 607 CA CYS A 44 5.491 23.388 -1.837 1.00 0.00 C ATOM 608 C CYS A 44 5.216 23.759 -0.383 1.00 0.00 C ATOM 609 O CYS A 44 4.880 24.904 -0.078 1.00 0.00 O ATOM 610 CB CYS A 44 4.373 22.488 -2.366 1.00 0.00 C ATOM 611 SG CYS A 44 4.491 22.127 -4.133 1.00 0.00 S ATOM 0 H CYS A 44 6.727 21.753 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 44 5.521 24.304 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.384 21.549 -1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.413 22.964 -2.167 1.00 0.00 H new ATOM 0 HG CYS A 44 5.472 21.300 -4.342 1.00 0.00 H new ATOM 617 N ILE A 45 5.359 22.785 0.508 1.00 0.00 N ATOM 618 CA ILE A 45 5.126 23.010 1.929 1.00 0.00 C ATOM 619 C ILE A 45 6.168 23.957 2.515 1.00 0.00 C ATOM 620 O ILE A 45 5.836 24.870 3.269 1.00 0.00 O ATOM 621 CB ILE A 45 5.149 21.688 2.720 1.00 0.00 C ATOM 622 CG1 ILE A 45 4.080 20.731 2.187 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.938 21.954 4.203 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.432 19.271 2.368 1.00 0.00 C ATOM 0 H ILE A 45 5.635 21.832 0.271 1.00 0.00 H new ATOM 0 HA ILE A 45 4.138 23.461 2.018 1.00 0.00 H new ATOM 0 HB ILE A 45 6.125 21.221 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.137 20.934 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.922 20.930 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.957 21.010 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.732 22.603 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.974 22.440 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.630 18.651 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.359 19.052 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.561 19.057 3.429 1.00 0.00 H new ATOM 636 N GLU A 46 7.429 23.733 2.159 1.00 0.00 N ATOM 637 CA GLU A 46 8.520 24.568 2.649 1.00 0.00 C ATOM 638 C GLU A 46 8.322 26.022 2.231 1.00 0.00 C ATOM 639 O GLU A 46 8.394 26.933 3.055 1.00 0.00 O ATOM 640 CB GLU A 46 9.861 24.053 2.124 1.00 0.00 C ATOM 641 CG GLU A 46 10.377 22.832 2.866 1.00 0.00 C ATOM 642 CD GLU A 46 11.367 22.026 2.047 1.00 0.00 C ATOM 643 OE1 GLU A 46 11.081 21.768 0.859 1.00 0.00 O ATOM 644 OE2 GLU A 46 12.426 21.654 2.594 1.00 0.00 O ATOM 0 H GLU A 46 7.720 22.981 1.534 1.00 0.00 H new ATOM 0 HA GLU A 46 8.521 24.518 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.758 23.808 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.600 24.851 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.853 23.150 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.535 22.196 3.141 1.00 0.00 H new ATOM 783 N SER A 55 2.372 15.202 -10.815 1.00 0.00 N ATOM 784 CA SER A 55 2.480 13.749 -10.862 1.00 0.00 C ATOM 785 C SER A 55 1.915 13.121 -9.592 1.00 0.00 C ATOM 786 O SER A 55 2.039 13.679 -8.501 1.00 0.00 O ATOM 787 CB SER A 55 3.939 13.330 -11.046 1.00 0.00 C ATOM 788 OG SER A 55 4.368 13.545 -12.380 1.00 0.00 O ATOM 0 HA SER A 55 1.898 13.394 -11.712 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.572 13.895 -10.362 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.053 12.277 -10.789 1.00 0.00 H new ATOM 0 HG SER A 55 5.304 13.271 -12.471 1.00 0.00 H new ATOM 794 N LYS A 56 1.293 11.956 -9.741 1.00 0.00 N ATOM 795 CA LYS A 56 0.709 11.250 -8.607 1.00 0.00 C ATOM 796 C LYS A 56 1.776 10.476 -7.840 1.00 0.00 C ATOM 797 O LYS A 56 2.618 9.804 -8.435 1.00 0.00 O ATOM 798 CB LYS A 56 -0.385 10.292 -9.085 1.00 0.00 C ATOM 799 CG LYS A 56 -1.759 10.934 -9.174 1.00 0.00 C ATOM 800 CD LYS A 56 -2.807 9.944 -9.654 1.00 0.00 C ATOM 801 CE LYS A 56 -3.940 10.645 -10.388 1.00 0.00 C ATOM 802 NZ LYS A 56 -3.558 11.007 -11.781 1.00 0.00 N ATOM 0 H LYS A 56 1.181 11.481 -10.637 1.00 0.00 H new ATOM 0 HA LYS A 56 0.270 11.990 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.111 9.901 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.434 9.441 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.044 11.322 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.721 11.784 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.342 9.212 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.208 9.395 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.816 9.996 -10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.223 11.546 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.357 11.483 -12.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.738 11.646 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.312 10.145 -12.309 1.00 0.00 H new ATOM 816 N VAL A 57 1.734 10.574 -6.515 1.00 0.00 N ATOM 817 CA VAL A 57 2.696 9.881 -5.666 1.00 0.00 C ATOM 818 C VAL A 57 2.638 8.374 -5.886 1.00 0.00 C ATOM 819 O VAL A 57 1.814 7.680 -5.290 1.00 0.00 O ATOM 820 CB VAL A 57 2.447 10.181 -4.175 1.00 0.00 C ATOM 821 CG1 VAL A 57 3.469 9.462 -3.308 1.00 0.00 C ATOM 822 CG2 VAL A 57 2.481 11.680 -3.921 1.00 0.00 C ATOM 0 H VAL A 57 1.044 11.127 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 57 3.684 10.248 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 57 1.456 9.813 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.277 9.686 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.391 8.387 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.472 9.797 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.303 11.874 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.457 12.075 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.707 12.167 -4.514 1.00 0.00 H new ATOM 832 N TYR A 58 3.518 7.873 -6.746 1.00 0.00 N ATOM 833 CA TYR A 58 3.566 6.448 -7.047 1.00 0.00 C ATOM 834 C TYR A 58 4.713 5.772 -6.302 1.00 0.00 C ATOM 835 O TYR A 58 5.871 6.171 -6.427 1.00 0.00 O ATOM 836 CB TYR A 58 3.722 6.228 -8.553 1.00 0.00 C ATOM 837 CG TYR A 58 3.924 4.779 -8.936 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.042 3.797 -8.502 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.994 4.394 -9.733 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.223 2.472 -8.849 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.182 3.071 -10.086 1.00 0.00 C ATOM 842 CZ TYR A 58 4.294 2.114 -9.641 1.00 0.00 C ATOM 843 OH TYR A 58 4.476 0.796 -9.991 1.00 0.00 O ATOM 0 H TYR A 58 4.208 8.433 -7.247 1.00 0.00 H new ATOM 0 HA TYR A 58 2.628 6.001 -6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.836 6.609 -9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.570 6.811 -8.911 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.201 4.074 -7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.691 5.141 -10.083 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.529 1.720 -8.502 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.019 2.788 -10.707 1.00 0.00 H new ATOM 0 HH TYR A 58 4.776 0.288 -9.208 1.00 0.00 H new ATOM 853 N PHE A 59 4.382 4.745 -5.525 1.00 0.00 N ATOM 854 CA PHE A 59 5.383 4.013 -4.759 1.00 0.00 C ATOM 855 C PHE A 59 4.906 2.595 -4.456 1.00 0.00 C ATOM 856 O PHE A 59 3.861 2.398 -3.834 1.00 0.00 O ATOM 857 CB PHE A 59 5.695 4.748 -3.454 1.00 0.00 C ATOM 858 CG PHE A 59 4.516 4.856 -2.530 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.447 5.679 -2.843 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.476 4.133 -1.348 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.361 5.781 -1.994 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.393 4.231 -0.495 1.00 0.00 C ATOM 863 CZ PHE A 59 2.333 5.055 -0.820 1.00 0.00 C ATOM 0 H PHE A 59 3.428 4.402 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 59 6.291 3.952 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.504 4.230 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.056 5.750 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.462 6.248 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.301 3.485 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.535 6.428 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.375 3.664 0.424 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.484 5.131 -0.157 1.00 0.00 H new ATOM 873 N THR A 60 5.679 1.609 -4.900 1.00 0.00 N ATOM 874 CA THR A 60 5.336 0.210 -4.679 1.00 0.00 C ATOM 875 C THR A 60 5.955 -0.310 -3.387 1.00 0.00 C ATOM 876 O THR A 60 7.076 0.058 -3.033 1.00 0.00 O ATOM 877 CB THR A 60 5.802 -0.674 -5.851 1.00 0.00 C ATOM 878 OG1 THR A 60 5.333 -0.132 -7.090 1.00 0.00 O ATOM 879 CG2 THR A 60 5.292 -2.099 -5.690 1.00 0.00 C ATOM 0 H THR A 60 6.547 1.754 -5.415 1.00 0.00 H new ATOM 0 HA THR A 60 4.250 0.158 -4.604 1.00 0.00 H new ATOM 0 HB THR A 60 6.892 -0.692 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.347 -0.830 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.634 -2.705 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.674 -2.519 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.202 -2.095 -5.665 1.00 0.00 H new ATOM 887 N ILE A 61 5.220 -1.168 -2.687 1.00 0.00 N ATOM 888 CA ILE A 61 5.699 -1.740 -1.435 1.00 0.00 C ATOM 889 C ILE A 61 5.854 -3.253 -1.546 1.00 0.00 C ATOM 890 O ILE A 61 4.902 -3.963 -1.867 1.00 0.00 O ATOM 891 CB ILE A 61 4.748 -1.417 -0.268 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.694 0.093 -0.028 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.190 -2.144 0.993 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.787 0.492 1.115 1.00 0.00 C ATOM 0 H ILE A 61 4.291 -1.482 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 61 6.672 -1.291 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 61 3.747 -1.760 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.701 0.457 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.355 0.585 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.508 -1.905 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.181 -3.219 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.199 -1.829 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.798 1.576 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.770 0.159 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.138 0.028 2.037 1.00 0.00 H new ATOM 906 N ASN A 62 7.061 -3.740 -1.276 1.00 0.00 N ATOM 907 CA ASN A 62 7.341 -5.170 -1.344 1.00 0.00 C ATOM 908 C ASN A 62 7.261 -5.806 0.040 1.00 0.00 C ATOM 909 O ASN A 62 8.136 -5.601 0.880 1.00 0.00 O ATOM 910 CB ASN A 62 8.726 -5.411 -1.949 1.00 0.00 C ATOM 911 CG ASN A 62 8.791 -5.029 -3.415 1.00 0.00 C ATOM 912 OD1 ASN A 62 9.703 -4.124 -3.751 1.00 0.00 O flip ATOM 913 ND2 ASN A 62 8.030 -5.543 -4.236 1.00 0.00 N flip ATOM 0 H ASN A 62 7.860 -3.166 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 62 6.588 -5.633 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.467 -4.836 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.990 -6.463 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.344 -6.235 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.086 -5.277 -5.219 1.00 0.00 H new ATOM 920 N MET A 63 6.204 -6.579 0.269 1.00 0.00 N ATOM 921 CA MET A 63 6.010 -7.248 1.551 1.00 0.00 C ATOM 922 C MET A 63 6.194 -8.755 1.411 1.00 0.00 C ATOM 923 O MET A 63 5.502 -9.404 0.628 1.00 0.00 O ATOM 924 CB MET A 63 4.618 -6.941 2.104 1.00 0.00 C ATOM 925 CG MET A 63 4.461 -5.512 2.599 1.00 0.00 C ATOM 926 SD MET A 63 3.226 -5.360 3.904 1.00 0.00 S ATOM 927 CE MET A 63 1.876 -6.305 3.204 1.00 0.00 C ATOM 0 H MET A 63 5.469 -6.758 -0.416 1.00 0.00 H new ATOM 0 HA MET A 63 6.760 -6.872 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.878 -7.131 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.403 -7.626 2.924 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.421 -5.152 2.969 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.181 -4.871 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.963 -6.104 3.764 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.733 -6.019 2.162 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.109 -7.368 3.259 1.00 0.00 H new ATOM 937 N ASN A 64 7.131 -9.306 2.176 1.00 0.00 N ATOM 938 CA ASN A 64 7.406 -10.738 2.136 1.00 0.00 C ATOM 939 C ASN A 64 6.581 -11.480 3.184 1.00 0.00 C ATOM 940 O ASN A 64 6.834 -11.365 4.384 1.00 0.00 O ATOM 941 CB ASN A 64 8.896 -10.999 2.365 1.00 0.00 C ATOM 942 CG ASN A 64 9.440 -10.237 3.558 1.00 0.00 C ATOM 943 OD1 ASN A 64 8.682 -9.771 4.409 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.760 -10.108 3.626 1.00 0.00 N ATOM 0 H ASN A 64 7.712 -8.783 2.831 1.00 0.00 H new ATOM 0 HA ASN A 64 7.126 -11.109 1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.056 -12.067 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.453 -10.716 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.184 -9.606 4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.350 -10.511 2.898 1.00 0.00 H new ATOM 951 N LEU A 65 5.595 -12.240 2.723 1.00 0.00 N ATOM 952 CA LEU A 65 4.733 -13.002 3.619 1.00 0.00 C ATOM 953 C LEU A 65 4.638 -14.459 3.177 1.00 0.00 C ATOM 954 O LEU A 65 4.693 -14.761 1.985 1.00 0.00 O ATOM 955 CB LEU A 65 3.336 -12.380 3.666 1.00 0.00 C ATOM 956 CG LEU A 65 3.283 -10.857 3.798 1.00 0.00 C ATOM 957 CD1 LEU A 65 2.027 -10.308 3.140 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.344 -10.446 5.262 1.00 0.00 C ATOM 0 H LEU A 65 5.372 -12.345 1.733 1.00 0.00 H new ATOM 0 HA LEU A 65 5.172 -12.972 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.803 -12.665 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.794 -12.816 4.505 1.00 0.00 H new ATOM 0 HG LEU A 65 4.149 -10.437 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.006 -9.223 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.026 -10.571 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.147 -10.735 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.305 -9.359 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.497 -10.877 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.273 -10.807 5.703 1.00 0.00 H new ATOM 970 N ASP A 66 4.495 -15.357 4.145 1.00 0.00 N ATOM 971 CA ASP A 66 4.389 -16.782 3.856 1.00 0.00 C ATOM 972 C ASP A 66 2.997 -17.130 3.338 1.00 0.00 C ATOM 973 O ASP A 66 1.989 -16.777 3.951 1.00 0.00 O ATOM 974 CB ASP A 66 4.701 -17.603 5.108 1.00 0.00 C ATOM 975 CG ASP A 66 3.550 -17.613 6.095 1.00 0.00 C ATOM 976 OD1 ASP A 66 3.249 -16.544 6.667 1.00 0.00 O ATOM 977 OD2 ASP A 66 2.950 -18.690 6.295 1.00 0.00 O ATOM 0 H ASP A 66 4.450 -15.123 5.137 1.00 0.00 H new ATOM 0 HA ASP A 66 5.116 -17.025 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.936 -18.627 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.589 -17.197 5.593 1.00 0.00 H new ATOM 982 N VAL A 67 2.948 -17.824 2.205 1.00 0.00 N ATOM 983 CA VAL A 67 1.680 -18.220 1.605 1.00 0.00 C ATOM 984 C VAL A 67 1.425 -19.711 1.791 1.00 0.00 C ATOM 985 O VAL A 67 0.345 -20.118 2.219 1.00 0.00 O ATOM 986 CB VAL A 67 1.643 -17.888 0.101 1.00 0.00 C ATOM 987 CG1 VAL A 67 1.887 -16.404 -0.124 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.665 -18.725 -0.654 1.00 0.00 C ATOM 0 H VAL A 67 3.772 -18.123 1.684 1.00 0.00 H new ATOM 0 HA VAL A 67 0.899 -17.655 2.114 1.00 0.00 H new ATOM 0 HB VAL A 67 0.652 -18.131 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.857 -16.188 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.114 -15.827 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.864 -16.132 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.625 -18.478 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.663 -18.515 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.440 -19.783 -0.519 1.00 0.00 H new ATOM 998 N SER A 68 2.428 -20.522 1.468 1.00 0.00 N ATOM 999 CA SER A 68 2.312 -21.970 1.597 1.00 0.00 C ATOM 1000 C SER A 68 3.668 -22.643 1.411 1.00 0.00 C ATOM 1001 O SER A 68 4.650 -21.995 1.049 1.00 0.00 O ATOM 1002 CB SER A 68 1.315 -22.516 0.572 1.00 0.00 C ATOM 1003 OG SER A 68 1.586 -22.011 -0.723 1.00 0.00 O ATOM 0 H SER A 68 3.330 -20.201 1.115 1.00 0.00 H new ATOM 0 HA SER A 68 1.950 -22.192 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.363 -23.605 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.301 -22.245 0.866 1.00 0.00 H new ATOM 0 HG SER A 68 0.936 -22.376 -1.359 1.00 0.00 H new ATOM 1009 N ASP A 69 3.714 -23.946 1.661 1.00 0.00 N ATOM 1010 CA ASP A 69 4.950 -24.709 1.521 1.00 0.00 C ATOM 1011 C ASP A 69 6.116 -23.980 2.182 1.00 0.00 C ATOM 1012 O ASP A 69 7.153 -23.757 1.558 1.00 0.00 O ATOM 1013 CB ASP A 69 5.257 -24.955 0.044 1.00 0.00 C ATOM 1014 CG ASP A 69 4.464 -26.114 -0.527 1.00 0.00 C ATOM 1015 OD1 ASP A 69 3.410 -26.453 0.050 1.00 0.00 O ATOM 1016 OD2 ASP A 69 4.897 -26.684 -1.551 1.00 0.00 O ATOM 0 H ASP A 69 2.910 -24.497 1.962 1.00 0.00 H new ATOM 0 HA ASP A 69 4.815 -25.668 2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.036 -24.052 -0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.322 -25.154 -0.074 1.00 0.00 H new ATOM 1021 N GLU A 70 5.937 -23.610 3.446 1.00 0.00 N ATOM 1022 CA GLU A 70 6.974 -22.905 4.189 1.00 0.00 C ATOM 1023 C GLU A 70 7.702 -21.907 3.293 1.00 0.00 C ATOM 1024 O GLU A 70 8.879 -21.610 3.503 1.00 0.00 O ATOM 1025 CB GLU A 70 7.974 -23.900 4.781 1.00 0.00 C ATOM 1026 CG GLU A 70 8.725 -24.705 3.734 1.00 0.00 C ATOM 1027 CD GLU A 70 10.051 -25.234 4.244 1.00 0.00 C ATOM 1028 OE1 GLU A 70 10.882 -24.418 4.695 1.00 0.00 O ATOM 1029 OE2 GLU A 70 10.257 -26.465 4.193 1.00 0.00 O ATOM 0 H GLU A 70 5.084 -23.787 3.976 1.00 0.00 H new ATOM 0 HA GLU A 70 6.495 -22.357 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.693 -23.358 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.444 -24.585 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.105 -25.541 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.900 -24.081 2.858 1.00 0.00 H new ATOM 1036 N LYS A 71 6.994 -21.393 2.293 1.00 0.00 N ATOM 1037 CA LYS A 71 7.571 -20.428 1.364 1.00 0.00 C ATOM 1038 C LYS A 71 6.837 -19.093 1.441 1.00 0.00 C ATOM 1039 O LYS A 71 5.830 -18.967 2.139 1.00 0.00 O ATOM 1040 CB LYS A 71 7.516 -20.970 -0.066 1.00 0.00 C ATOM 1041 CG LYS A 71 8.747 -21.766 -0.462 1.00 0.00 C ATOM 1042 CD LYS A 71 9.816 -20.873 -1.071 1.00 0.00 C ATOM 1043 CE LYS A 71 9.448 -20.448 -2.484 1.00 0.00 C ATOM 1044 NZ LYS A 71 9.827 -21.478 -3.490 1.00 0.00 N ATOM 0 H LYS A 71 6.020 -21.629 2.105 1.00 0.00 H new ATOM 0 HA LYS A 71 8.612 -20.268 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.635 -21.603 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.395 -20.136 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.151 -22.273 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.467 -22.539 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.952 -19.989 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.769 -21.402 -1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.375 -20.264 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.946 -19.508 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.559 -21.150 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.854 -21.636 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.332 -22.368 -3.279 1.00 0.00 H new ATOM 1058 N MET A 72 7.346 -18.100 0.719 1.00 0.00 N ATOM 1059 CA MET A 72 6.736 -16.776 0.705 1.00 0.00 C ATOM 1060 C MET A 72 6.912 -16.111 -0.657 1.00 0.00 C ATOM 1061 O MET A 72 7.804 -16.474 -1.424 1.00 0.00 O ATOM 1062 CB MET A 72 7.348 -15.897 1.798 1.00 0.00 C ATOM 1063 CG MET A 72 8.863 -15.800 1.722 1.00 0.00 C ATOM 1064 SD MET A 72 9.612 -15.371 3.305 1.00 0.00 S ATOM 1065 CE MET A 72 8.542 -14.035 3.834 1.00 0.00 C ATOM 0 H MET A 72 8.179 -18.187 0.136 1.00 0.00 H new ATOM 0 HA MET A 72 5.670 -16.893 0.898 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.924 -14.895 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.066 -16.294 2.773 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.267 -16.752 1.379 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.138 -15.051 0.979 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.144 -13.235 4.264 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.988 -13.651 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.842 -14.405 4.583 1.00 0.00 H new ATOM 1075 N ALA A 73 6.057 -15.137 -0.950 1.00 0.00 N ATOM 1076 CA ALA A 73 6.121 -14.421 -2.218 1.00 0.00 C ATOM 1077 C ALA A 73 6.154 -12.913 -1.996 1.00 0.00 C ATOM 1078 O ALA A 73 5.805 -12.427 -0.921 1.00 0.00 O ATOM 1079 CB ALA A 73 4.939 -14.801 -3.098 1.00 0.00 C ATOM 0 H ALA A 73 5.312 -14.826 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 73 7.044 -14.708 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.999 -14.259 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.961 -15.873 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.010 -14.543 -2.590 1.00 0.00 H new ATOM 1085 N MET A 74 6.576 -12.178 -3.019 1.00 0.00 N ATOM 1086 CA MET A 74 6.654 -10.724 -2.935 1.00 0.00 C ATOM 1087 C MET A 74 5.369 -10.080 -3.447 1.00 0.00 C ATOM 1088 O MET A 74 4.998 -10.250 -4.608 1.00 0.00 O ATOM 1089 CB MET A 74 7.851 -10.208 -3.736 1.00 0.00 C ATOM 1090 CG MET A 74 8.427 -8.908 -3.200 1.00 0.00 C ATOM 1091 SD MET A 74 9.600 -9.170 -1.857 1.00 0.00 S ATOM 1092 CE MET A 74 8.694 -8.478 -0.475 1.00 0.00 C ATOM 0 H MET A 74 6.869 -12.565 -3.916 1.00 0.00 H new ATOM 0 HA MET A 74 6.783 -10.452 -1.887 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.632 -10.968 -3.737 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.548 -10.061 -4.773 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.922 -8.373 -4.010 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.614 -8.273 -2.848 1.00 0.00 H new ATOM 0 HE1 MET A 74 9.229 -7.611 -0.087 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.701 -8.174 -0.807 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.600 -9.228 0.311 1.00 0.00 H new ATOM 1102 N PHE A 75 4.694 -9.340 -2.573 1.00 0.00 N ATOM 1103 CA PHE A 75 3.450 -8.672 -2.937 1.00 0.00 C ATOM 1104 C PHE A 75 3.704 -7.213 -3.305 1.00 0.00 C ATOM 1105 O PHE A 75 4.261 -6.450 -2.516 1.00 0.00 O ATOM 1106 CB PHE A 75 2.448 -8.752 -1.783 1.00 0.00 C ATOM 1107 CG PHE A 75 1.658 -10.029 -1.763 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.273 -11.235 -1.468 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.300 -10.023 -2.038 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.549 -12.412 -1.448 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.430 -11.197 -2.019 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.196 -12.393 -1.725 1.00 0.00 C ATOM 0 H PHE A 75 4.988 -9.188 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 75 3.034 -9.180 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.984 -8.651 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.760 -7.909 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.331 -11.256 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.194 -9.091 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.040 -13.345 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.488 -11.179 -2.234 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.372 -13.312 -1.712 1.00 0.00 H new ATOM 1122 N SER A 76 3.292 -6.833 -4.510 1.00 0.00 N ATOM 1123 CA SER A 76 3.478 -5.468 -4.986 1.00 0.00 C ATOM 1124 C SER A 76 2.210 -4.644 -4.782 1.00 0.00 C ATOM 1125 O SER A 76 1.178 -4.906 -5.401 1.00 0.00 O ATOM 1126 CB SER A 76 3.865 -5.469 -6.466 1.00 0.00 C ATOM 1127 OG SER A 76 5.202 -5.905 -6.643 1.00 0.00 O ATOM 0 H SER A 76 2.827 -7.452 -5.174 1.00 0.00 H new ATOM 0 HA SER A 76 4.283 -5.015 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.190 -6.120 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.749 -4.466 -6.876 1.00 0.00 H new ATOM 0 HG SER A 76 5.425 -5.898 -7.597 1.00 0.00 H new ATOM 1133 N LEU A 77 2.296 -3.646 -3.909 1.00 0.00 N ATOM 1134 CA LEU A 77 1.156 -2.781 -3.622 1.00 0.00 C ATOM 1135 C LEU A 77 1.369 -1.387 -4.203 1.00 0.00 C ATOM 1136 O LEU A 77 1.978 -0.526 -3.569 1.00 0.00 O ATOM 1137 CB LEU A 77 0.931 -2.687 -2.112 1.00 0.00 C ATOM 1138 CG LEU A 77 0.010 -3.746 -1.503 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.747 -5.067 -1.346 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.533 -3.273 -0.163 1.00 0.00 C ATOM 0 H LEU A 77 3.142 -3.416 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 77 0.273 -3.218 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.900 -2.748 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.519 -1.703 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.831 -3.901 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.076 -5.808 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.086 -5.413 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.607 -4.928 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.186 -4.039 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.296 -3.089 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.098 -2.352 -0.304 1.00 0.00 H new ATOM 1152 N ALA A 78 0.862 -1.173 -5.413 1.00 0.00 N ATOM 1153 CA ALA A 78 0.994 0.118 -6.078 1.00 0.00 C ATOM 1154 C ALA A 78 0.084 1.161 -5.438 1.00 0.00 C ATOM 1155 O ALA A 78 -1.095 1.264 -5.779 1.00 0.00 O ATOM 1156 CB ALA A 78 0.681 -0.019 -7.561 1.00 0.00 C ATOM 0 H ALA A 78 0.357 -1.876 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 78 2.025 0.454 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.783 0.952 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.375 -0.726 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.340 -0.381 -7.686 1.00 0.00 H new ATOM 1162 N CYS A 79 0.638 1.931 -4.508 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.125 2.965 -3.818 1.00 0.00 C ATOM 1164 C CYS A 79 0.023 4.310 -4.522 1.00 0.00 C ATOM 1165 O CYS A 79 1.135 4.810 -4.700 1.00 0.00 O ATOM 1166 CB CYS A 79 0.335 3.084 -2.364 1.00 0.00 C ATOM 1167 SG CYS A 79 0.526 1.496 -1.519 1.00 0.00 S ATOM 0 H CYS A 79 1.612 1.859 -4.215 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.177 2.679 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.287 3.615 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.384 3.692 -1.815 1.00 0.00 H new ATOM 0 HG CYS A 79 1.108 0.648 -2.315 1.00 0.00 H new ATOM 1173 N ILE A 80 -1.103 4.891 -4.921 1.00 0.00 N ATOM 1174 CA ILE A 80 -1.098 6.177 -5.606 1.00 0.00 C ATOM 1175 C ILE A 80 -2.016 7.176 -4.907 1.00 0.00 C ATOM 1176 O ILE A 80 -3.230 6.981 -4.846 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.538 6.035 -7.075 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.557 5.143 -7.839 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.641 7.403 -7.732 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -1.045 4.749 -9.216 1.00 0.00 C ATOM 0 H ILE A 80 -2.031 4.491 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.073 6.546 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.522 5.567 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.396 5.664 -7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.370 4.241 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.953 7.286 -8.770 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.374 8.008 -7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.670 7.897 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.300 4.118 -9.699 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.982 4.200 -9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.205 5.645 -9.815 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.427 8.245 -4.384 1.00 0.00 N ATOM 1193 CA LEU A 81 -2.191 9.276 -3.691 1.00 0.00 C ATOM 1194 C LEU A 81 -2.460 10.465 -4.609 1.00 0.00 C ATOM 1195 O LEU A 81 -1.543 11.146 -5.067 1.00 0.00 O ATOM 1196 CB LEU A 81 -1.441 9.742 -2.441 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.934 8.638 -1.512 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.021 9.209 -0.476 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -2.101 7.934 -0.835 1.00 0.00 C ATOM 0 H LEU A 81 -0.423 8.421 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.148 8.846 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.589 10.344 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.099 10.396 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.392 7.906 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.371 8.409 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.873 9.666 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.496 9.962 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.722 7.151 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.671 8.655 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.747 7.490 -1.592 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.747 10.721 -4.883 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.167 11.829 -5.746 1.00 0.00 C ATOM 1213 C PRO A 82 -3.932 13.190 -5.099 1.00 0.00 C ATOM 1214 O PRO A 82 -3.315 13.285 -4.038 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.665 11.580 -5.940 1.00 0.00 C ATOM 1216 CG PRO A 82 -6.077 10.800 -4.740 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.893 9.950 -4.372 1.00 0.00 C ATOM 0 HA PRO A 82 -3.602 11.856 -6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.216 12.518 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.859 11.026 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.352 11.463 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.949 10.182 -4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.827 9.798 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.949 8.963 -4.830 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.429 14.240 -5.743 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.272 15.596 -5.230 1.00 0.00 C ATOM 1227 C PHE A 83 -5.388 15.937 -4.246 1.00 0.00 C ATOM 1228 O PHE A 83 -5.204 16.748 -3.338 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.268 16.603 -6.382 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.645 16.071 -7.641 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.367 15.535 -7.624 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -4.337 16.106 -8.840 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.792 15.046 -8.782 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -3.767 15.617 -10.001 1.00 0.00 C ATOM 1235 CZ PHE A 83 -2.493 15.085 -9.971 1.00 0.00 C ATOM 0 H PHE A 83 -4.944 14.178 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.318 15.651 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.294 16.905 -6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.730 17.498 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.815 15.499 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.334 16.520 -8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.794 14.633 -8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.317 15.651 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.046 14.700 -10.876 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.545 15.312 -4.433 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.692 15.547 -3.563 1.00 0.00 C ATOM 1247 C LYS A 84 -7.427 15.013 -2.159 1.00 0.00 C ATOM 1248 O LYS A 84 -7.696 15.690 -1.166 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.943 14.885 -4.145 1.00 0.00 C ATOM 1250 CG LYS A 84 -9.192 15.231 -5.603 1.00 0.00 C ATOM 1251 CD LYS A 84 -8.596 14.187 -6.533 1.00 0.00 C ATOM 1252 CE LYS A 84 -9.674 13.307 -7.146 1.00 0.00 C ATOM 1253 NZ LYS A 84 -10.362 13.982 -8.282 1.00 0.00 N ATOM 0 H LYS A 84 -6.714 14.638 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.855 16.623 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.850 13.803 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.810 15.185 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.264 15.309 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.760 16.207 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.035 14.682 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.889 13.567 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.228 12.375 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.406 13.044 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.089 13.350 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.810 14.858 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.668 14.210 -9.022 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.899 13.797 -2.083 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.599 13.172 -0.800 1.00 0.00 C ATOM 1269 C TYR A 85 -6.304 14.226 0.263 1.00 0.00 C ATOM 1270 O TYR A 85 -5.681 15.254 -0.001 1.00 0.00 O ATOM 1271 CB TYR A 85 -5.408 12.222 -0.937 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.485 11.019 -0.025 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.656 10.279 0.083 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -4.388 10.622 0.729 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.732 9.179 0.915 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -4.454 9.523 1.563 1.00 0.00 C ATOM 1277 CZ TYR A 85 -5.628 8.804 1.652 1.00 0.00 C ATOM 1278 OH TYR A 85 -5.698 7.709 2.483 1.00 0.00 O ATOM 0 H TYR A 85 -6.670 13.224 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.475 12.603 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.343 11.881 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.490 12.770 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.522 10.569 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.467 11.183 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.651 8.616 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.591 9.228 2.142 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.304 7.902 3.228 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.762 13.964 1.496 1.00 0.00 N ATOM 1289 CA PRO A 86 -7.505 12.744 1.823 1.00 0.00 C ATOM 1290 C PRO A 86 -8.896 12.727 1.197 1.00 0.00 C ATOM 1291 O PRO A 86 -9.587 11.710 1.226 1.00 0.00 O ATOM 1292 CB PRO A 86 -7.606 12.788 3.350 1.00 0.00 C ATOM 1293 CG PRO A 86 -7.504 14.233 3.695 1.00 0.00 C ATOM 1294 CD PRO A 86 -6.589 14.841 2.667 1.00 0.00 C ATOM 0 HA PRO A 86 -7.010 11.851 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.548 12.364 3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.807 12.212 3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.484 14.709 3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.105 14.367 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.865 15.871 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.554 14.856 3.009 1.00 0.00 H new ATOM 1302 N ALA A 87 -9.299 13.860 0.632 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.606 13.974 -0.003 1.00 0.00 C ATOM 1304 C ALA A 87 -11.039 12.645 -0.611 1.00 0.00 C ATOM 1305 O ALA A 87 -11.875 11.936 -0.049 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.583 15.061 -1.068 1.00 0.00 C ATOM 0 H ALA A 87 -8.739 14.712 0.601 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.332 14.247 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.566 15.135 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.327 16.015 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.840 14.812 -1.826 1.00 0.00 H new ATOM 1312 N VAL A 88 -10.466 12.311 -1.763 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.792 11.066 -2.447 1.00 0.00 C ATOM 1314 C VAL A 88 -9.789 9.970 -2.103 1.00 0.00 C ATOM 1315 O VAL A 88 -8.582 10.141 -2.279 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.823 11.256 -3.975 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.497 12.571 -4.336 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.416 11.194 -4.548 1.00 0.00 C ATOM 0 H VAL A 88 -9.773 12.886 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.783 10.768 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.405 10.445 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.510 12.688 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.520 12.571 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.945 13.398 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.457 11.330 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.808 11.983 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.973 10.224 -4.321 1.00 0.00 H new ATOM 1328 N LEU A 89 -10.296 8.845 -1.612 1.00 0.00 N ATOM 1329 CA LEU A 89 -9.445 7.719 -1.243 1.00 0.00 C ATOM 1330 C LEU A 89 -8.318 7.535 -2.254 1.00 0.00 C ATOM 1331 O LEU A 89 -8.377 8.024 -3.382 1.00 0.00 O ATOM 1332 CB LEU A 89 -10.274 6.437 -1.147 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.986 6.196 0.185 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -10.074 5.456 1.151 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -11.447 7.514 0.789 1.00 0.00 C ATOM 0 H LEU A 89 -11.292 8.688 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.004 7.932 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.023 6.452 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.619 5.589 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.864 5.577 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.597 5.293 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.793 4.495 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.177 6.049 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.952 7.323 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.584 8.157 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.136 8.007 0.104 1.00 0.00 H new ATOM 1347 N PRO A 90 -7.266 6.811 -1.842 1.00 0.00 N ATOM 1348 CA PRO A 90 -6.106 6.542 -2.698 1.00 0.00 C ATOM 1349 C PRO A 90 -6.438 5.591 -3.842 1.00 0.00 C ATOM 1350 O PRO A 90 -7.605 5.286 -4.089 1.00 0.00 O ATOM 1351 CB PRO A 90 -5.101 5.897 -1.740 1.00 0.00 C ATOM 1352 CG PRO A 90 -5.937 5.294 -0.664 1.00 0.00 C ATOM 1353 CD PRO A 90 -7.129 6.198 -0.510 1.00 0.00 C ATOM 0 HA PRO A 90 -5.736 7.447 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.501 5.141 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.409 6.636 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.246 4.283 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.379 5.222 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.023 5.640 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.967 6.949 0.263 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.405 5.126 -4.537 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.589 4.209 -5.657 1.00 0.00 C ATOM 1363 C GLU A 91 -4.617 3.036 -5.564 1.00 0.00 C ATOM 1364 O GLU A 91 -3.750 2.866 -6.421 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.393 4.944 -6.984 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.594 5.775 -7.402 1.00 0.00 C ATOM 1367 CD GLU A 91 -6.217 6.931 -8.309 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -5.517 6.691 -9.315 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -6.621 8.075 -8.012 1.00 0.00 O ATOM 0 H GLU A 91 -4.433 5.368 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.606 3.820 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.522 5.594 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.176 4.215 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.313 5.136 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.090 6.163 -6.512 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.769 2.231 -4.518 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.906 1.074 -4.313 1.00 0.00 C ATOM 1378 C ILE A 92 -4.279 -0.064 -5.258 1.00 0.00 C ATOM 1379 O ILE A 92 -5.458 -0.342 -5.479 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.980 0.566 -2.862 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.584 1.678 -1.888 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -3.084 -0.649 -2.679 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.787 1.309 -0.435 1.00 0.00 C ATOM 0 H ILE A 92 -5.482 2.359 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.887 1.399 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.007 0.271 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.536 1.933 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.167 2.571 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.148 -0.996 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.408 -1.444 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.053 -0.379 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.486 2.144 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.839 1.083 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.183 0.434 -0.194 1.00 0.00 H new ATOM 1395 N THR A 93 -3.265 -0.720 -5.814 1.00 0.00 N ATOM 1396 CA THR A 93 -3.485 -1.828 -6.734 1.00 0.00 C ATOM 1397 C THR A 93 -2.583 -3.010 -6.398 1.00 0.00 C ATOM 1398 O THR A 93 -1.405 -3.027 -6.756 1.00 0.00 O ATOM 1399 CB THR A 93 -3.234 -1.405 -8.194 1.00 0.00 C ATOM 1400 OG1 THR A 93 -4.141 -0.360 -8.564 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.402 -2.587 -9.137 1.00 0.00 C ATOM 0 H THR A 93 -2.283 -0.503 -5.643 1.00 0.00 H new ATOM 0 HA THR A 93 -4.527 -2.127 -6.624 1.00 0.00 H new ATOM 0 HB THR A 93 -2.210 -1.041 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.974 -0.096 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.220 -2.264 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.690 -3.369 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.417 -2.977 -9.055 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.143 -3.999 -5.708 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.388 -5.186 -5.324 1.00 0.00 C ATOM 1411 C VAL A 94 -2.137 -6.089 -6.527 1.00 0.00 C ATOM 1412 O VAL A 94 -3.025 -6.302 -7.352 1.00 0.00 O ATOM 1413 CB VAL A 94 -3.124 -5.991 -4.237 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.281 -7.174 -3.786 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.475 -5.096 -3.058 1.00 0.00 C ATOM 0 H VAL A 94 -4.117 -4.002 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.434 -4.841 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.052 -6.377 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.817 -7.731 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.085 -7.826 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.336 -6.813 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.995 -5.681 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.562 -4.680 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.120 -4.285 -3.396 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.921 -6.618 -6.619 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.552 -7.498 -7.721 1.00 0.00 C ATOM 1427 C ARG A 95 0.456 -8.548 -7.263 1.00 0.00 C ATOM 1428 O ARG A 95 1.392 -8.245 -6.524 1.00 0.00 O ATOM 1429 CB ARG A 95 0.033 -6.685 -8.877 1.00 0.00 C ATOM 1430 CG ARG A 95 -1.022 -6.048 -9.768 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.538 -7.030 -10.809 1.00 0.00 C ATOM 1432 NE ARG A 95 -2.148 -6.349 -11.948 1.00 0.00 N ATOM 1433 CZ ARG A 95 -3.412 -5.942 -11.970 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -4.196 -6.146 -10.921 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -3.894 -5.330 -13.044 1.00 0.00 N ATOM 0 H ARG A 95 -0.175 -6.452 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.453 -8.008 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.675 -5.903 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.665 -7.334 -9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.852 -5.695 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.600 -5.175 -10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.715 -7.654 -11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.270 -7.694 -10.349 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.572 -6.177 -12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.829 -6.617 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.166 -5.832 -10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.294 -5.172 -13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.865 -5.018 -13.060 1.00 0.00 H new ATOM 1449 N SER A 96 0.257 -9.785 -7.708 1.00 0.00 N ATOM 1450 CA SER A 96 1.146 -10.881 -7.341 1.00 0.00 C ATOM 1451 C SER A 96 1.175 -11.946 -8.434 1.00 0.00 C ATOM 1452 O SER A 96 0.139 -12.308 -8.993 1.00 0.00 O ATOM 1453 CB SER A 96 0.700 -11.506 -6.018 1.00 0.00 C ATOM 1454 OG SER A 96 1.725 -12.314 -5.465 1.00 0.00 O ATOM 0 H SER A 96 -0.512 -10.053 -8.323 1.00 0.00 H new ATOM 0 HA SER A 96 2.151 -10.477 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.432 -10.719 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.194 -12.108 -6.180 1.00 0.00 H new ATOM 0 HG SER A 96 1.416 -12.701 -4.619 1.00 0.00 H new ATOM 1460 N VAL A 97 2.371 -12.444 -8.735 1.00 0.00 N ATOM 1461 CA VAL A 97 2.537 -13.467 -9.760 1.00 0.00 C ATOM 1462 C VAL A 97 1.728 -14.716 -9.425 1.00 0.00 C ATOM 1463 O VAL A 97 1.222 -15.398 -10.317 1.00 0.00 O ATOM 1464 CB VAL A 97 4.017 -13.857 -9.928 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.838 -12.658 -10.376 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.566 -14.436 -8.633 1.00 0.00 C ATOM 0 H VAL A 97 3.239 -12.155 -8.283 1.00 0.00 H new ATOM 0 HA VAL A 97 2.173 -13.041 -10.695 1.00 0.00 H new ATOM 0 HB VAL A 97 4.087 -14.623 -10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.881 -12.953 -10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.458 -12.293 -11.330 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.764 -11.867 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.613 -14.706 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.484 -13.694 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.995 -15.324 -8.360 1.00 0.00 H new ATOM 1476 N LEU A 98 1.611 -15.010 -8.135 1.00 0.00 N ATOM 1477 CA LEU A 98 0.863 -16.177 -7.682 1.00 0.00 C ATOM 1478 C LEU A 98 -0.618 -16.042 -8.023 1.00 0.00 C ATOM 1479 O LEU A 98 -1.215 -16.943 -8.614 1.00 0.00 O ATOM 1480 CB LEU A 98 1.035 -16.364 -6.173 1.00 0.00 C ATOM 1481 CG LEU A 98 2.461 -16.224 -5.638 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.465 -16.244 -4.118 1.00 0.00 C ATOM 1483 CD2 LEU A 98 3.349 -17.330 -6.191 1.00 0.00 C ATOM 0 H LEU A 98 2.024 -14.457 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 98 1.257 -17.052 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.404 -15.637 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.663 -17.353 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 98 2.861 -15.265 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.488 -16.143 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.864 -15.417 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.046 -17.187 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.360 -17.215 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.952 -18.300 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.372 -17.269 -7.279 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.204 -14.910 -7.649 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.615 -14.655 -7.917 1.00 0.00 C ATOM 1497 C LEU A 99 -2.881 -14.587 -9.418 1.00 0.00 C ATOM 1498 O LEU A 99 -1.951 -14.610 -10.224 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.053 -13.349 -7.251 1.00 0.00 C ATOM 1500 CG LEU A 99 -2.993 -13.322 -5.723 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.727 -11.911 -5.224 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.285 -13.865 -5.129 1.00 0.00 C ATOM 0 H LEU A 99 -0.724 -14.155 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.193 -15.480 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.428 -12.542 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.076 -13.133 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.171 -13.961 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.688 -11.912 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.775 -11.558 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.527 -11.250 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.225 -13.838 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.124 -13.253 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.433 -14.893 -5.459 1.00 0.00 H new ATOM 1514 N SER A 100 -4.155 -14.501 -9.785 1.00 0.00 N ATOM 1515 CA SER A 100 -4.543 -14.431 -11.189 1.00 0.00 C ATOM 1516 C SER A 100 -5.157 -13.073 -11.516 1.00 0.00 C ATOM 1517 O SER A 100 -5.369 -12.246 -10.629 1.00 0.00 O ATOM 1518 CB SER A 100 -5.537 -15.546 -11.521 1.00 0.00 C ATOM 1519 OG SER A 100 -6.781 -15.327 -10.879 1.00 0.00 O ATOM 0 H SER A 100 -4.936 -14.478 -9.130 1.00 0.00 H new ATOM 0 HA SER A 100 -3.646 -14.560 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.685 -15.597 -12.600 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.128 -16.507 -11.210 1.00 0.00 H new ATOM 0 HG SER A 100 -7.492 -15.279 -11.551 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.439 -12.851 -12.795 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.027 -11.593 -13.241 1.00 0.00 C ATOM 1527 C ARG A 101 -7.402 -11.383 -12.613 1.00 0.00 C ATOM 1528 O ARG A 101 -7.760 -10.267 -12.239 1.00 0.00 O ATOM 1529 CB ARG A 101 -6.143 -11.572 -14.766 1.00 0.00 C ATOM 1530 CG ARG A 101 -4.847 -11.205 -15.471 1.00 0.00 C ATOM 1531 CD ARG A 101 -3.951 -12.419 -15.657 1.00 0.00 C ATOM 1532 NE ARG A 101 -4.567 -13.428 -16.515 1.00 0.00 N ATOM 1533 CZ ARG A 101 -3.880 -14.366 -17.157 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -2.561 -14.424 -17.038 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -4.513 -15.249 -17.919 1.00 0.00 N ATOM 0 H ARG A 101 -5.270 -13.526 -13.541 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.373 -10.782 -12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.469 -12.553 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.917 -10.860 -15.053 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.072 -10.765 -16.443 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.319 -10.447 -14.893 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.001 -12.106 -16.090 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.728 -12.857 -14.684 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.581 -13.411 -16.627 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.072 -13.747 -16.452 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.036 -15.145 -17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.528 -15.208 -18.012 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.985 -15.969 -18.412 1.00 0.00 H new ATOM 1549 N SER A 102 -8.167 -12.464 -12.502 1.00 0.00 N ATOM 1550 CA SER A 102 -9.504 -12.397 -11.923 1.00 0.00 C ATOM 1551 C SER A 102 -9.434 -12.312 -10.401 1.00 0.00 C ATOM 1552 O SER A 102 -9.918 -11.353 -9.800 1.00 0.00 O ATOM 1553 CB SER A 102 -10.324 -13.620 -12.339 1.00 0.00 C ATOM 1554 OG SER A 102 -10.678 -13.554 -13.710 1.00 0.00 O ATOM 0 H SER A 102 -7.884 -13.396 -12.805 1.00 0.00 H new ATOM 0 HA SER A 102 -9.991 -11.496 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.750 -14.528 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.226 -13.682 -11.730 1.00 0.00 H new ATOM 0 HG SER A 102 -11.200 -14.347 -13.952 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.827 -13.322 -9.786 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.694 -13.361 -8.334 1.00 0.00 C ATOM 1562 C GLN A 103 -8.159 -12.037 -7.800 1.00 0.00 C ATOM 1563 O GLN A 103 -8.833 -11.349 -7.034 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.767 -14.505 -7.917 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.367 -15.884 -8.136 1.00 0.00 C ATOM 1566 CD GLN A 103 -7.319 -16.980 -8.152 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -6.566 -17.149 -7.192 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -7.266 -17.733 -9.244 1.00 0.00 N ATOM 0 H GLN A 103 -8.420 -14.123 -10.269 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.683 -13.530 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.836 -14.430 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.514 -14.391 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.091 -16.090 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -8.912 -15.893 -9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.909 -17.558 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.582 -18.487 -9.311 1.00 0.00 H new ATOM 1577 N GLN A 104 -6.944 -11.687 -8.209 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.318 -10.445 -7.770 1.00 0.00 C ATOM 1579 C GLN A 104 -7.343 -9.318 -7.691 1.00 0.00 C ATOM 1580 O GLN A 104 -7.451 -8.633 -6.674 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.186 -10.055 -8.722 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.486 -8.762 -8.337 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.982 -8.774 -6.908 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.829 -9.119 -6.646 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.846 -8.397 -5.972 1.00 0.00 N ATOM 0 H GLN A 104 -6.373 -12.246 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 104 -5.905 -10.607 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.453 -10.861 -8.751 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.589 -9.954 -9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.647 -8.592 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.175 -7.928 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.792 -8.119 -6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.563 -8.386 -4.992 1.00 0.00 H new ATOM 1594 N THR A 105 -8.094 -9.131 -8.772 1.00 0.00 N ATOM 1595 CA THR A 105 -9.109 -8.086 -8.825 1.00 0.00 C ATOM 1596 C THR A 105 -9.950 -8.071 -7.554 1.00 0.00 C ATOM 1597 O THR A 105 -9.922 -7.105 -6.793 1.00 0.00 O ATOM 1598 CB THR A 105 -10.038 -8.267 -10.041 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.275 -8.224 -11.251 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.107 -7.186 -10.070 1.00 0.00 C ATOM 0 H THR A 105 -8.018 -9.689 -9.622 1.00 0.00 H new ATOM 0 HA THR A 105 -8.581 -7.137 -8.918 1.00 0.00 H new ATOM 0 HB THR A 105 -10.527 -9.237 -9.956 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.820 -9.082 -11.382 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.751 -7.334 -10.937 1.00 0.00 H new ATOM 0 HG22 THR A 105 -11.705 -7.241 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.633 -6.207 -10.134 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.696 -9.148 -7.332 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.546 -9.257 -6.152 1.00 0.00 C ATOM 1610 C GLN A 106 -10.845 -8.691 -4.922 1.00 0.00 C ATOM 1611 O GLN A 106 -11.345 -7.767 -4.279 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.930 -10.718 -5.907 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.814 -10.918 -4.687 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.205 -10.344 -4.874 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -14.985 -10.831 -5.692 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.523 -9.303 -4.113 1.00 0.00 N ATOM 0 H GLN A 106 -10.729 -9.957 -7.953 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.450 -8.676 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.447 -11.102 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.022 -11.309 -5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.891 -11.983 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.345 -10.449 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.845 -8.932 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.445 -8.875 -4.194 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.684 -9.250 -4.599 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.913 -8.801 -3.444 1.00 0.00 C ATOM 1627 C LEU A 107 -8.919 -7.279 -3.345 1.00 0.00 C ATOM 1628 O LEU A 107 -9.267 -6.717 -2.308 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.474 -9.312 -3.537 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.533 -8.876 -2.413 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.449 -9.919 -2.190 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.916 -7.522 -2.729 1.00 0.00 C ATOM 0 H LEU A 107 -9.256 -10.015 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.379 -9.207 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.497 -10.401 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.052 -8.980 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.113 -8.783 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.789 -9.592 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.909 -10.869 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.871 -10.045 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.249 -7.228 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.350 -7.588 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.706 -6.779 -2.837 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.532 -6.618 -4.431 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.495 -5.161 -4.467 1.00 0.00 C ATOM 1646 C ASN A 108 -9.839 -4.572 -4.050 1.00 0.00 C ATOM 1647 O ASN A 108 -9.914 -3.753 -3.132 1.00 0.00 O ATOM 1648 CB ASN A 108 -8.124 -4.673 -5.869 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.625 -4.567 -6.067 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.946 -3.819 -5.363 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -6.101 -5.318 -7.028 1.00 0.00 N ATOM 0 H ASN A 108 -8.240 -7.069 -5.298 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.736 -4.825 -3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.538 -5.357 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.581 -3.699 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.097 -5.290 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.702 -5.924 -7.587 1.00 0.00 H new ATOM 1658 N THR A 109 -10.901 -4.994 -4.729 1.00 0.00 N ATOM 1659 CA THR A 109 -12.242 -4.509 -4.431 1.00 0.00 C ATOM 1660 C THR A 109 -12.477 -4.434 -2.927 1.00 0.00 C ATOM 1661 O THR A 109 -13.128 -3.511 -2.436 1.00 0.00 O ATOM 1662 CB THR A 109 -13.319 -5.410 -5.063 1.00 0.00 C ATOM 1663 OG1 THR A 109 -13.084 -5.541 -6.470 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.709 -4.839 -4.827 1.00 0.00 C ATOM 0 H THR A 109 -10.858 -5.672 -5.490 1.00 0.00 H new ATOM 0 HA THR A 109 -12.319 -3.509 -4.859 1.00 0.00 H new ATOM 0 HB THR A 109 -13.262 -6.392 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 109 -13.772 -6.117 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.453 -5.493 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.896 -4.768 -3.756 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.775 -3.847 -5.274 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.944 -5.410 -2.200 1.00 0.00 N ATOM 1673 CA ASP A 110 -12.095 -5.453 -0.750 1.00 0.00 C ATOM 1674 C ASP A 110 -11.099 -4.517 -0.072 1.00 0.00 C ATOM 1675 O ASP A 110 -11.485 -3.621 0.680 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.901 -6.881 -0.238 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.153 -7.724 -0.388 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.627 -7.885 -1.533 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.657 -8.224 0.639 1.00 0.00 O ATOM 0 H ASP A 110 -11.404 -6.182 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.104 -5.121 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.082 -7.351 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.610 -6.851 0.812 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.816 -4.732 -0.341 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.763 -3.908 0.244 1.00 0.00 C ATOM 1686 C LEU A 111 -9.208 -2.453 0.354 1.00 0.00 C ATOM 1687 O LEU A 111 -9.251 -1.886 1.446 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.489 -4.002 -0.597 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.480 -2.867 -0.415 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.093 -2.726 1.048 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.246 -3.108 -1.274 1.00 0.00 C ATOM 0 H LEU A 111 -9.479 -5.469 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.557 -4.282 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.992 -4.944 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.774 -4.043 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.947 -1.936 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.375 -1.914 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.982 -2.507 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.645 -3.656 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.539 -2.291 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.778 -4.048 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.537 -3.158 -2.323 1.00 0.00 H new ATOM 1703 N THR A 112 -9.539 -1.854 -0.786 1.00 0.00 N ATOM 1704 CA THR A 112 -9.982 -0.465 -0.818 1.00 0.00 C ATOM 1705 C THR A 112 -11.197 -0.255 0.078 1.00 0.00 C ATOM 1706 O THR A 112 -11.150 0.520 1.033 1.00 0.00 O ATOM 1707 CB THR A 112 -10.330 -0.020 -2.250 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.242 -0.314 -3.133 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.638 1.469 -2.294 1.00 0.00 C ATOM 0 H THR A 112 -9.509 -2.309 -1.699 1.00 0.00 H new ATOM 0 HA THR A 112 -9.154 0.140 -0.449 1.00 0.00 H new ATOM 0 HB THR A 112 -11.216 -0.568 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.472 -0.029 -4.042 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.881 1.760 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.486 1.685 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.768 2.031 -1.954 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.285 -0.950 -0.236 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.513 -0.841 0.542 1.00 0.00 C ATOM 1719 C ALA A 113 -13.209 -0.710 2.031 1.00 0.00 C ATOM 1720 O ALA A 113 -13.711 0.193 2.700 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.408 -2.045 0.288 1.00 0.00 C ATOM 0 H ALA A 113 -12.341 -1.595 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.037 0.060 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.321 -1.950 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.661 -2.093 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.884 -2.956 0.577 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.385 -1.618 2.544 1.00 0.00 N ATOM 1728 CA PHE A 114 -12.016 -1.605 3.954 1.00 0.00 C ATOM 1729 C PHE A 114 -11.798 -0.177 4.446 1.00 0.00 C ATOM 1730 O PHE A 114 -12.506 0.301 5.334 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.749 -2.432 4.180 1.00 0.00 C ATOM 1732 CG PHE A 114 -10.476 -2.729 5.626 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -11.384 -3.455 6.382 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -9.313 -2.282 6.232 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -11.136 -3.730 7.713 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -9.059 -2.555 7.563 1.00 0.00 C ATOM 1737 CZ PHE A 114 -9.972 -3.278 8.305 1.00 0.00 C ATOM 0 H PHE A 114 -11.960 -2.372 2.004 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.835 -2.046 4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.836 -3.372 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.897 -1.898 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -12.296 -3.810 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.596 -1.714 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -11.851 -4.298 8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.147 -2.203 8.022 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.777 -3.490 9.346 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.814 0.499 3.864 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.501 1.873 4.242 1.00 0.00 C ATOM 1749 C LEU A 115 -11.721 2.775 4.076 1.00 0.00 C ATOM 1750 O LEU A 115 -12.214 3.351 5.045 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.342 2.404 3.397 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.056 1.578 3.428 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.250 1.796 2.157 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.226 1.929 4.654 1.00 0.00 C ATOM 0 H LEU A 115 -10.219 0.118 3.128 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.209 1.877 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.677 2.479 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.109 3.415 3.731 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.326 0.524 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.338 1.200 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.843 1.494 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.990 2.851 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.314 1.331 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.966 2.987 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.802 1.720 5.555 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.202 2.889 2.843 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.365 3.720 2.551 1.00 0.00 C ATOM 1768 C GLN A 116 -14.381 3.651 3.687 1.00 0.00 C ATOM 1769 O GLN A 116 -15.054 4.635 3.992 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.017 3.279 1.240 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.017 2.953 0.143 1.00 0.00 C ATOM 1772 CD GLN A 116 -13.604 3.107 -1.247 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -13.817 1.987 -1.927 1.00 0.00 O flip ATOM 1774 NE2 GLN A 116 -13.862 4.221 -1.704 1.00 0.00 N flip ATOM 0 H GLN A 116 -11.805 2.417 2.030 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.028 4.752 2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.636 2.402 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -14.682 4.069 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -12.150 3.606 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.662 1.930 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.682 5.055 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.256 4.309 -2.641 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.488 2.481 4.308 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.421 2.283 5.411 1.00 0.00 C ATOM 1785 C LYS A 117 -14.809 2.739 6.731 1.00 0.00 C ATOM 1786 O LYS A 117 -15.287 3.688 7.354 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.825 0.810 5.506 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.669 0.488 6.726 1.00 0.00 C ATOM 1789 CD LYS A 117 -18.033 1.153 6.652 1.00 0.00 C ATOM 1790 CE LYS A 117 -18.579 1.460 8.038 1.00 0.00 C ATOM 1791 NZ LYS A 117 -19.020 0.227 8.747 1.00 0.00 N ATOM 0 H LYS A 117 -13.940 1.655 4.066 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.308 2.885 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.379 0.535 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.925 0.196 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.794 -0.592 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.150 0.819 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.958 2.076 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.728 0.502 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.812 1.963 8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -19.419 2.150 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.385 0.479 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.770 -0.240 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.213 -0.421 8.851 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.747 2.059 7.152 1.00 0.00 N ATOM 1806 CA HIS A 118 -13.068 2.396 8.398 1.00 0.00 C ATOM 1807 C HIS A 118 -12.356 3.741 8.282 1.00 0.00 C ATOM 1808 O HIS A 118 -12.626 4.665 9.050 1.00 0.00 O ATOM 1809 CB HIS A 118 -12.063 1.304 8.768 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.695 -0.029 9.024 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -12.684 -0.642 10.259 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -13.362 -0.867 8.196 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -13.315 -1.800 10.179 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.736 -1.960 8.937 1.00 0.00 N ATOM 0 H HIS A 118 -13.338 1.272 6.649 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.819 2.469 9.184 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.335 1.203 7.963 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.514 1.613 9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.563 -0.705 7.147 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -13.462 -2.497 10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -14.255 -2.765 8.586 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.447 3.842 7.319 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.695 5.073 7.104 1.00 0.00 C ATOM 1825 C CYS A 119 -11.323 5.906 5.991 1.00 0.00 C ATOM 1826 O CYS A 119 -11.126 5.629 4.807 1.00 0.00 O ATOM 1827 CB CYS A 119 -9.240 4.753 6.758 1.00 0.00 C ATOM 1828 SG CYS A 119 -8.398 3.728 7.987 1.00 0.00 S ATOM 0 H CYS A 119 -11.213 3.087 6.675 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.722 5.652 8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -9.210 4.244 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.691 5.688 6.642 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.130 3.667 7.706 1.00 0.00 H new ATOM 1834 N HIS A 120 -12.081 6.927 6.379 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.739 7.800 5.414 1.00 0.00 C ATOM 1836 C HIS A 120 -12.347 9.257 5.643 1.00 0.00 C ATOM 1837 O HIS A 120 -12.471 9.777 6.751 1.00 0.00 O ATOM 1838 CB HIS A 120 -14.257 7.648 5.509 1.00 0.00 C ATOM 1839 CG HIS A 120 -15.004 8.429 4.472 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -16.003 9.328 4.782 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.891 8.444 3.123 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.474 9.860 3.668 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.816 9.341 2.647 1.00 0.00 N ATOM 0 H HIS A 120 -12.254 7.170 7.354 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.414 7.507 4.416 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -14.515 6.593 5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.585 7.968 6.498 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -14.202 7.860 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.263 10.595 3.603 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.970 9.569 1.665 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.871 9.910 4.587 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.467 11.300 4.694 1.00 0.00 C ATOM 1854 C GLY A 121 -10.189 11.472 5.492 1.00 0.00 C ATOM 1855 O GLY A 121 -10.067 12.403 6.288 1.00 0.00 O ATOM 0 H GLY A 121 -11.758 9.501 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.326 11.712 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.266 11.872 5.165 1.00 0.00 H new ATOM 1859 N ASP A 122 -9.236 10.571 5.280 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.961 10.627 5.985 1.00 0.00 C ATOM 1861 C ASP A 122 -6.846 10.012 5.144 1.00 0.00 C ATOM 1862 O ASP A 122 -7.072 9.589 4.010 1.00 0.00 O ATOM 1863 CB ASP A 122 -8.064 9.901 7.327 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.402 10.122 8.004 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.580 11.185 8.634 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -10.272 9.231 7.905 1.00 0.00 O ATOM 0 H ASP A 122 -9.322 9.793 4.626 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.720 11.675 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.911 8.833 7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.266 10.245 7.985 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.643 9.967 5.707 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.493 9.404 5.009 1.00 0.00 C ATOM 1873 C VAL A 123 -3.933 8.199 5.757 1.00 0.00 C ATOM 1874 O VAL A 123 -3.082 8.342 6.636 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.377 10.450 4.833 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.858 11.603 3.966 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.899 10.952 6.186 1.00 0.00 C ATOM 0 H VAL A 123 -5.439 10.314 6.644 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.842 9.088 4.026 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.534 9.976 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.056 12.332 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -4.146 11.225 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.717 12.079 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.110 11.690 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.732 11.410 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.511 10.116 6.768 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.414 7.013 5.401 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.961 5.782 6.039 1.00 0.00 C ATOM 1889 C CYS A 124 -3.544 4.751 4.995 1.00 0.00 C ATOM 1890 O CYS A 124 -4.386 4.071 4.408 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.065 5.207 6.928 1.00 0.00 C ATOM 1892 SG CYS A 124 -4.457 4.217 8.313 1.00 0.00 S ATOM 0 H CYS A 124 -5.117 6.878 4.675 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.095 6.019 6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.667 6.028 7.319 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -5.725 4.591 6.317 1.00 0.00 H new ATOM 0 HG CYS A 124 -5.457 3.622 8.893 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.239 4.641 4.768 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.710 3.694 3.795 1.00 0.00 C ATOM 1900 C ILE A 125 -1.386 2.356 4.450 1.00 0.00 C ATOM 1901 O ILE A 125 -1.514 1.300 3.829 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.443 4.238 3.111 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.776 5.485 2.289 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.185 3.168 2.229 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.588 5.191 1.047 1.00 0.00 C ATOM 0 H ILE A 125 -1.529 5.196 5.245 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.485 3.549 3.043 1.00 0.00 H new ATOM 0 HB ILE A 125 0.277 4.515 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.326 6.187 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.152 5.977 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.080 3.568 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.454 2.305 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.528 2.863 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.787 6.121 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.031 4.514 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.532 4.727 1.331 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.968 2.406 5.710 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.626 1.198 6.452 1.00 0.00 C ATOM 1919 C LEU A 126 -1.832 0.271 6.568 1.00 0.00 C ATOM 1920 O LEU A 126 -1.803 -0.864 6.094 1.00 0.00 O ATOM 1921 CB LEU A 126 -0.112 1.560 7.847 1.00 0.00 C ATOM 1922 CG LEU A 126 1.394 1.799 7.965 1.00 0.00 C ATOM 1923 CD1 LEU A 126 1.739 2.358 9.337 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.161 0.512 7.703 1.00 0.00 C ATOM 0 H LEU A 126 -0.858 3.271 6.239 1.00 0.00 H new ATOM 0 HA LEU A 126 0.160 0.676 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.630 2.459 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.388 0.759 8.533 1.00 0.00 H new ATOM 0 HG LEU A 126 1.686 2.531 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.815 2.522 9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.218 3.304 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.432 1.649 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.231 0.702 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.865 -0.243 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.938 0.154 6.698 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.893 0.764 7.198 1.00 0.00 N ATOM 1937 CA ASN A 127 -4.110 -0.019 7.375 1.00 0.00 C ATOM 1938 C ASN A 127 -4.350 -0.929 6.174 1.00 0.00 C ATOM 1939 O ASN A 127 -4.832 -2.052 6.319 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.313 0.906 7.576 1.00 0.00 C ATOM 1941 CG ASN A 127 -6.608 0.139 7.759 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -7.037 -0.599 6.872 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -7.238 0.310 8.915 1.00 0.00 N ATOM 0 H ASN A 127 -2.934 1.703 7.595 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.986 -0.641 8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.141 1.537 8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.405 1.569 6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -8.114 -0.180 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.846 0.932 9.622 1.00 0.00 H new ATOM 1950 N ALA A 128 -4.009 -0.436 4.987 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.185 -1.205 3.762 1.00 0.00 C ATOM 1952 C ALA A 128 -3.261 -2.418 3.738 1.00 0.00 C ATOM 1953 O ALA A 128 -3.702 -3.544 3.504 1.00 0.00 O ATOM 1954 CB ALA A 128 -3.935 -0.325 2.546 1.00 0.00 C ATOM 0 H ALA A 128 -3.609 0.492 4.849 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.214 -1.564 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.070 -0.912 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.639 0.507 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.916 0.062 2.580 1.00 0.00 H new ATOM 1960 N THR A 129 -1.975 -2.182 3.980 1.00 0.00 N ATOM 1961 CA THR A 129 -0.989 -3.255 3.984 1.00 0.00 C ATOM 1962 C THR A 129 -1.296 -4.281 5.070 1.00 0.00 C ATOM 1963 O THR A 129 -1.022 -5.469 4.908 1.00 0.00 O ATOM 1964 CB THR A 129 0.435 -2.708 4.199 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.559 -2.171 5.521 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.761 -1.631 3.176 1.00 0.00 C ATOM 0 H THR A 129 -1.592 -1.257 4.176 1.00 0.00 H new ATOM 0 HA THR A 129 -1.042 -3.737 3.008 1.00 0.00 H new ATOM 0 HB THR A 129 1.139 -3.530 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.292 -1.766 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.771 -1.260 3.348 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.694 -2.051 2.172 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.051 -0.810 3.274 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.868 -3.812 6.175 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.212 -4.691 7.287 1.00 0.00 C ATOM 1976 C GLU A 130 -3.459 -5.511 6.966 1.00 0.00 C ATOM 1977 O GLU A 130 -3.685 -6.570 7.552 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.440 -3.873 8.560 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.189 -3.176 9.067 1.00 0.00 C ATOM 1980 CD GLU A 130 -1.412 -2.465 10.388 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.497 -3.154 11.426 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -1.502 -1.219 10.383 1.00 0.00 O ATOM 0 H GLU A 130 -2.102 -2.831 6.324 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.379 -5.376 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.210 -3.126 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.821 -4.531 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.391 -3.909 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.853 -2.454 8.323 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.263 -5.013 6.034 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.487 -5.699 5.636 1.00 0.00 C ATOM 1991 C TRP A 131 -5.218 -6.675 4.495 1.00 0.00 C ATOM 1992 O TRP A 131 -6.020 -7.570 4.229 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.551 -4.684 5.215 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.855 -5.316 4.830 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.991 -5.377 5.586 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -8.156 -5.976 3.596 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.979 -6.036 4.896 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.493 -6.413 3.672 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.427 -6.238 2.433 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -10.112 -7.098 2.630 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -8.043 -6.919 1.400 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.375 -7.341 1.504 1.00 0.00 C ATOM 0 H TRP A 131 -4.090 -4.138 5.540 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.853 -6.264 6.494 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.722 -3.986 6.035 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.175 -4.102 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.097 -4.967 6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.922 -6.216 5.240 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.401 -5.914 2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -11.138 -7.426 2.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.488 -7.129 0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.829 -7.869 0.678 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.085 -6.495 3.824 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.710 -7.361 2.712 1.00 0.00 C ATOM 2015 C VAL A 132 -2.934 -8.578 3.201 1.00 0.00 C ATOM 2016 O VAL A 132 -3.387 -9.714 3.059 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.858 -6.605 1.675 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.121 -7.584 0.774 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.728 -5.664 0.855 1.00 0.00 C ATOM 0 H VAL A 132 -3.411 -5.758 4.031 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.636 -7.690 2.240 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.117 -6.008 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.524 -7.032 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.467 -8.213 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.843 -8.210 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.110 -5.138 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.493 -6.238 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.205 -4.941 1.516 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.762 -8.334 3.779 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.922 -9.410 4.289 1.00 0.00 C ATOM 2031 C ARG A 133 -1.772 -10.516 4.908 1.00 0.00 C ATOM 2032 O ARG A 133 -1.385 -11.684 4.905 1.00 0.00 O ATOM 2033 CB ARG A 133 0.064 -8.869 5.325 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.601 -8.386 6.604 1.00 0.00 C ATOM 2035 CD ARG A 133 0.420 -8.140 7.704 1.00 0.00 C ATOM 2036 NE ARG A 133 0.793 -9.374 8.391 1.00 0.00 N ATOM 2037 CZ ARG A 133 -0.028 -10.046 9.190 1.00 0.00 C ATOM 2038 NH1 ARG A 133 -1.261 -9.606 9.402 1.00 0.00 N ATOM 2039 NH2 ARG A 133 0.384 -11.161 9.779 1.00 0.00 N ATOM 0 H ARG A 133 -1.373 -7.400 3.906 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.364 -9.830 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.783 -9.650 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.626 -8.046 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.151 -7.466 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.328 -9.126 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.311 -7.680 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.012 -7.432 8.426 1.00 0.00 H new ATOM 0 HE ARG A 133 1.735 -9.739 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -1.581 -8.749 8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.889 -10.124 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.332 -11.502 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.247 -11.677 10.393 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.931 -10.138 5.438 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.834 -11.098 6.062 1.00 0.00 C ATOM 2055 C GLU A 134 -4.795 -11.688 5.035 1.00 0.00 C ATOM 2056 O GLU A 134 -4.796 -12.895 4.790 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.622 -10.431 7.191 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.268 -11.418 8.148 1.00 0.00 C ATOM 2059 CD GLU A 134 -5.709 -10.770 9.446 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -6.721 -10.037 9.430 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -5.042 -10.994 10.478 1.00 0.00 O ATOM 0 H GLU A 134 -3.266 -9.175 5.448 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.233 -11.907 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.954 -9.778 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.396 -9.798 6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.130 -11.876 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.563 -12.220 8.368 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.613 -10.828 4.437 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.580 -11.263 3.435 1.00 0.00 C ATOM 2070 C HIS A 135 -5.893 -12.042 2.318 1.00 0.00 C ATOM 2071 O HIS A 135 -6.282 -13.166 2.003 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.319 -10.058 2.851 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.508 -9.636 3.658 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.800 -9.997 3.339 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.596 -8.880 4.778 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.631 -9.480 4.226 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -9.926 -8.798 5.110 1.00 0.00 N ATOM 0 H HIS A 135 -5.626 -9.826 4.629 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.300 -11.920 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.626 -9.220 2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.644 -10.297 1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.774 -8.426 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.705 -9.595 4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.307 -8.292 5.910 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.869 -11.438 1.724 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.127 -12.076 0.644 1.00 0.00 C ATOM 2088 C ALA A 136 -4.048 -13.585 0.849 1.00 0.00 C ATOM 2089 O ALA A 136 -4.623 -14.357 0.082 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.731 -11.481 0.540 1.00 0.00 C ATOM 0 H ALA A 136 -4.534 -10.507 1.973 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.659 -11.890 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.188 -11.967 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.805 -10.412 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.198 -11.637 1.478 1.00 0.00 H new ATOM 2096 N SER A 137 -3.331 -13.999 1.889 1.00 0.00 N ATOM 2097 CA SER A 137 -3.173 -15.417 2.193 1.00 0.00 C ATOM 2098 C SER A 137 -4.444 -16.190 1.854 1.00 0.00 C ATOM 2099 O SER A 137 -4.389 -17.275 1.278 1.00 0.00 O ATOM 2100 CB SER A 137 -2.824 -15.608 3.670 1.00 0.00 C ATOM 2101 OG SER A 137 -3.891 -15.190 4.504 1.00 0.00 O ATOM 0 H SER A 137 -2.850 -13.373 2.535 1.00 0.00 H new ATOM 0 HA SER A 137 -2.358 -15.806 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.598 -16.657 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.926 -15.040 3.911 1.00 0.00 H new ATOM 0 HG SER A 137 -3.900 -14.212 4.558 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.590 -15.621 2.218 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.859 -16.270 1.946 1.00 0.00 C ATOM 2109 C GLY A 138 -7.057 -16.559 0.471 1.00 0.00 C ATOM 2110 O GLY A 138 -7.245 -17.711 0.077 1.00 0.00 O ATOM 0 H GLY A 138 -5.662 -14.723 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.914 -17.203 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.671 -15.636 2.301 1.00 0.00 H new ATOM 2114 N TYR A 139 -7.018 -15.513 -0.346 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.199 -15.660 -1.785 1.00 0.00 C ATOM 2116 C TYR A 139 -6.102 -16.532 -2.387 1.00 0.00 C ATOM 2117 O TYR A 139 -6.380 -17.504 -3.089 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.204 -14.288 -2.463 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.334 -13.392 -2.007 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.605 -13.510 -2.556 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -8.130 -12.426 -1.029 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.640 -12.693 -2.143 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -9.159 -11.606 -0.610 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.412 -11.743 -1.170 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.440 -10.927 -0.756 1.00 0.00 O ATOM 0 H TYR A 139 -6.863 -14.554 -0.036 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.159 -16.146 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.254 -13.791 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.273 -14.425 -3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.787 -14.253 -3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.150 -12.315 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.622 -12.798 -2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.984 -10.861 0.152 1.00 0.00 H new ATOM 0 HH TYR A 139 -11.113 -10.314 -0.065 1.00 0.00 H new ATOM 2135 N VAL A 140 -4.852 -16.177 -2.105 1.00 0.00 N ATOM 2136 CA VAL A 140 -3.711 -16.928 -2.615 1.00 0.00 C ATOM 2137 C VAL A 140 -3.945 -18.430 -2.500 1.00 0.00 C ATOM 2138 O VAL A 140 -4.029 -18.972 -1.398 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.417 -16.561 -1.864 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.247 -17.384 -2.382 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.130 -15.073 -1.992 1.00 0.00 C ATOM 0 H VAL A 140 -4.604 -15.374 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.600 -16.661 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.553 -16.792 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.342 -17.111 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.453 -18.444 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.106 -17.188 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.212 -14.832 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -2.014 -14.814 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.958 -14.505 -1.568 1.00 0.00 H new