USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 720 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 33 TYR OH : rot 107:sc= 0.303 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.34 K(o=-0.03,f=-0.75) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0.00723 USER MOD Set 2.1: A 8 ASN : amide:sc= 0.144 K(o=0.34,f=-0.34) USER MOD Set 2.2: A 10 GLN : amide:sc= 0.193 X(o=0.34,f=-0.023) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 3:sc= 0.549! USER MOD Single : A 5 SER OG : rot 29:sc= 0.317 USER MOD Single : A 6 SER OG : rot -60:sc= 0.0989 USER MOD Single : A 12 SER OG : rot 180:sc= 0.109 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0.297 (180deg=0.281) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0.08 (180deg=0.08) USER MOD Single : A 25 MET CE :methyl -142:sc= -0.545 (180deg=-1.4) USER MOD Single : A 27 THR OG1 : rot -128:sc= -0.531! USER MOD Single : A 34 THR OG1 : rot -79:sc= 0.149 USER MOD Single : A 35 ASN : amide:sc= -6.95! C(o=-7!,f=-7!) USER MOD Single : A 40 ASN : amide:sc= -0.508 K(o=-0.51,f=-4.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -9.22! C(o=-9.2!,f=-7.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= -1.09 (180deg=-1.86) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 65 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.29) USER MOD Single : A 72 GLN : amide:sc= 0.0388 X(o=0.039,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 1.03 K(o=1,f=-2.2!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= -0.102 (180deg=-0.54) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.19! C(o=-1.2!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.696 -20.435 -16.594 1.00 0.00 N ATOM 2 CA GLY A 1 -11.630 -20.108 -15.181 1.00 0.00 C ATOM 3 C GLY A 1 -10.208 -19.900 -14.700 1.00 0.00 C ATOM 4 O GLY A 1 -9.678 -20.708 -13.938 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.689 -20.567 -16.874 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.280 -19.660 -17.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.166 -21.312 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.210 -19.204 -14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.092 -20.909 -14.604 1.00 0.00 H new ATOM 8 N SER A 2 -9.587 -18.813 -15.148 1.00 0.00 N ATOM 9 CA SER A 2 -8.215 -18.503 -14.762 1.00 0.00 C ATOM 10 C SER A 2 -8.186 -17.612 -13.524 1.00 0.00 C ATOM 11 O SER A 2 -8.798 -16.545 -13.500 1.00 0.00 O ATOM 12 CB SER A 2 -7.481 -17.816 -15.916 1.00 0.00 C ATOM 13 OG SER A 2 -6.079 -17.839 -15.714 1.00 0.00 O ATOM 0 H SER A 2 -10.012 -18.133 -15.778 1.00 0.00 H new ATOM 0 HA SER A 2 -7.710 -19.440 -14.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.725 -18.315 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.822 -16.785 -16.005 1.00 0.00 H new ATOM 0 HG SER A 2 -5.633 -17.396 -16.466 1.00 0.00 H new ATOM 19 N SER A 3 -7.470 -18.060 -12.497 1.00 0.00 N ATOM 20 CA SER A 3 -7.364 -17.306 -11.254 1.00 0.00 C ATOM 21 C SER A 3 -6.238 -17.853 -10.382 1.00 0.00 C ATOM 22 O SER A 3 -6.226 -19.033 -10.032 1.00 0.00 O ATOM 23 CB SER A 3 -8.688 -17.356 -10.488 1.00 0.00 C ATOM 24 OG SER A 3 -8.827 -18.581 -9.790 1.00 0.00 O ATOM 0 H SER A 3 -6.955 -18.941 -12.502 1.00 0.00 H new ATOM 0 HA SER A 3 -7.136 -16.270 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.736 -16.525 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.519 -17.233 -11.183 1.00 0.00 H new ATOM 0 HG SER A 3 -8.016 -19.119 -9.908 1.00 0.00 H new ATOM 30 N GLY A 4 -5.292 -16.986 -10.034 1.00 0.00 N ATOM 31 CA GLY A 4 -4.174 -17.399 -9.206 1.00 0.00 C ATOM 32 C GLY A 4 -3.168 -18.239 -9.968 1.00 0.00 C ATOM 33 O GLY A 4 -2.951 -19.406 -9.643 1.00 0.00 O ATOM 0 H GLY A 4 -5.280 -16.004 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.676 -16.516 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.547 -17.968 -8.354 1.00 0.00 H new ATOM 37 N SER A 5 -2.553 -17.645 -10.985 1.00 0.00 N ATOM 38 CA SER A 5 -1.569 -18.348 -11.799 1.00 0.00 C ATOM 39 C SER A 5 -0.589 -19.120 -10.921 1.00 0.00 C ATOM 40 O SER A 5 0.162 -18.531 -10.143 1.00 0.00 O ATOM 41 CB SER A 5 -0.807 -17.358 -12.684 1.00 0.00 C ATOM 42 OG SER A 5 -0.243 -16.313 -11.911 1.00 0.00 O ATOM 0 H SER A 5 -2.719 -16.678 -11.265 1.00 0.00 H new ATOM 0 HA SER A 5 -2.099 -19.058 -12.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.018 -17.881 -13.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.482 -16.939 -13.431 1.00 0.00 H new ATOM 0 HG SER A 5 -0.046 -16.643 -11.009 1.00 0.00 H new ATOM 48 N SER A 6 -0.604 -20.443 -11.051 1.00 0.00 N ATOM 49 CA SER A 6 0.280 -21.298 -10.267 1.00 0.00 C ATOM 50 C SER A 6 1.608 -21.511 -10.986 1.00 0.00 C ATOM 51 O SER A 6 2.047 -22.644 -11.181 1.00 0.00 O ATOM 52 CB SER A 6 -0.389 -22.647 -9.996 1.00 0.00 C ATOM 53 OG SER A 6 0.316 -23.377 -9.008 1.00 0.00 O ATOM 0 H SER A 6 -1.218 -20.946 -11.691 1.00 0.00 H new ATOM 0 HA SER A 6 0.477 -20.801 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.417 -22.488 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.433 -23.226 -10.918 1.00 0.00 H new ATOM 0 HG SER A 6 1.235 -23.533 -9.310 1.00 0.00 H new ATOM 59 N GLY A 7 2.245 -20.411 -11.378 1.00 0.00 N ATOM 60 CA GLY A 7 3.517 -20.498 -12.071 1.00 0.00 C ATOM 61 C GLY A 7 4.368 -19.259 -11.878 1.00 0.00 C ATOM 62 O GLY A 7 5.532 -19.351 -11.489 1.00 0.00 O ATOM 0 H GLY A 7 1.903 -19.462 -11.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.064 -21.370 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.338 -20.650 -13.135 1.00 0.00 H new ATOM 66 N ASN A 8 3.788 -18.095 -12.153 1.00 0.00 N ATOM 67 CA ASN A 8 4.502 -16.832 -12.009 1.00 0.00 C ATOM 68 C ASN A 8 3.648 -15.805 -11.273 1.00 0.00 C ATOM 69 O ASN A 8 2.699 -15.256 -11.832 1.00 0.00 O ATOM 70 CB ASN A 8 4.901 -16.289 -13.383 1.00 0.00 C ATOM 71 CG ASN A 8 3.850 -16.563 -14.441 1.00 0.00 C ATOM 72 OD1 ASN A 8 2.902 -15.794 -14.603 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.013 -17.663 -15.166 1.00 0.00 N ATOM 0 H ASN A 8 2.825 -18.001 -12.477 1.00 0.00 H new ATOM 0 HA ASN A 8 5.402 -17.017 -11.423 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.069 -15.214 -13.311 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.846 -16.739 -13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.337 -17.900 -15.892 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.814 -18.271 -14.997 1.00 0.00 H new ATOM 80 N ALA A 9 3.992 -15.550 -10.014 1.00 0.00 N ATOM 81 CA ALA A 9 3.259 -14.587 -9.202 1.00 0.00 C ATOM 82 C ALA A 9 3.351 -13.185 -9.794 1.00 0.00 C ATOM 83 O ALA A 9 4.434 -12.604 -9.869 1.00 0.00 O ATOM 84 CB ALA A 9 3.783 -14.595 -7.774 1.00 0.00 C ATOM 0 H ALA A 9 4.774 -15.997 -9.535 1.00 0.00 H new ATOM 0 HA ALA A 9 2.209 -14.880 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.227 -13.871 -7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.658 -15.590 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.840 -14.330 -7.773 1.00 0.00 H new ATOM 90 N GLN A 10 2.211 -12.649 -10.215 1.00 0.00 N ATOM 91 CA GLN A 10 2.165 -11.315 -10.803 1.00 0.00 C ATOM 92 C GLN A 10 1.484 -10.328 -9.860 1.00 0.00 C ATOM 93 O GLN A 10 0.802 -10.727 -8.916 1.00 0.00 O ATOM 94 CB GLN A 10 1.428 -11.350 -12.143 1.00 0.00 C ATOM 95 CG GLN A 10 2.315 -11.735 -13.315 1.00 0.00 C ATOM 96 CD GLN A 10 1.520 -12.157 -14.535 1.00 0.00 C ATOM 97 OE1 GLN A 10 0.530 -11.520 -14.896 1.00 0.00 O ATOM 98 NE2 GLN A 10 1.950 -13.237 -15.178 1.00 0.00 N ATOM 0 H GLN A 10 1.307 -13.117 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 10 3.190 -10.983 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.602 -12.058 -12.075 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.993 -10.369 -12.334 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.953 -10.890 -13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.973 -12.550 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.775 -13.735 -14.844 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.455 -13.569 -16.006 1.00 0.00 H new ATOM 107 N ARG A 11 1.674 -9.039 -10.123 1.00 0.00 N ATOM 108 CA ARG A 11 1.080 -7.996 -9.297 1.00 0.00 C ATOM 109 C ARG A 11 -0.369 -8.330 -8.957 1.00 0.00 C ATOM 110 O ARG A 11 -1.216 -8.441 -9.844 1.00 0.00 O ATOM 111 CB ARG A 11 1.149 -6.646 -10.015 1.00 0.00 C ATOM 112 CG ARG A 11 2.417 -5.863 -9.720 1.00 0.00 C ATOM 113 CD ARG A 11 2.345 -5.175 -8.366 1.00 0.00 C ATOM 114 NE ARG A 11 1.775 -3.833 -8.464 1.00 0.00 N ATOM 115 CZ ARG A 11 2.477 -2.761 -8.813 1.00 0.00 C ATOM 116 NH1 ARG A 11 3.767 -2.872 -9.096 1.00 0.00 N ATOM 117 NH2 ARG A 11 1.887 -1.574 -8.879 1.00 0.00 N ATOM 0 H ARG A 11 2.235 -8.693 -10.902 1.00 0.00 H new ATOM 0 HA ARG A 11 1.648 -7.936 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.076 -6.812 -11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.286 -6.046 -9.726 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.275 -6.535 -9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.576 -5.118 -10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.742 -5.776 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.345 -5.114 -7.937 1.00 0.00 H new ATOM 0 HE ARG A 11 0.784 -3.713 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.224 -3.783 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.303 -2.047 -9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.894 -1.485 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.426 -0.751 -9.147 1.00 0.00 H new ATOM 131 N SER A 12 -0.648 -8.491 -7.667 1.00 0.00 N ATOM 132 CA SER A 12 -1.994 -8.817 -7.211 1.00 0.00 C ATOM 133 C SER A 12 -2.148 -8.524 -5.722 1.00 0.00 C ATOM 134 O SER A 12 -1.238 -7.996 -5.083 1.00 0.00 O ATOM 135 CB SER A 12 -2.306 -10.289 -7.488 1.00 0.00 C ATOM 136 OG SER A 12 -3.703 -10.525 -7.477 1.00 0.00 O ATOM 0 H SER A 12 0.040 -8.401 -6.920 1.00 0.00 H new ATOM 0 HA SER A 12 -2.699 -8.194 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.893 -10.576 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.823 -10.914 -6.737 1.00 0.00 H new ATOM 0 HG SER A 12 -3.876 -11.472 -7.658 1.00 0.00 H new ATOM 142 N THR A 13 -3.309 -8.872 -5.174 1.00 0.00 N ATOM 143 CA THR A 13 -3.585 -8.645 -3.761 1.00 0.00 C ATOM 144 C THR A 13 -2.489 -9.241 -2.884 1.00 0.00 C ATOM 145 O THR A 13 -2.117 -8.665 -1.861 1.00 0.00 O ATOM 146 CB THR A 13 -4.940 -9.250 -3.349 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.895 -10.677 -3.461 1.00 0.00 O ATOM 148 CG2 THR A 13 -6.063 -8.704 -4.219 1.00 0.00 C ATOM 0 H THR A 13 -4.073 -9.312 -5.688 1.00 0.00 H new ATOM 0 HA THR A 13 -3.617 -7.565 -3.615 1.00 0.00 H new ATOM 0 HB THR A 13 -5.136 -8.974 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.760 -11.053 -3.195 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.010 -9.145 -3.910 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.114 -7.621 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.870 -8.954 -5.262 1.00 0.00 H new ATOM 156 N LEU A 14 -1.974 -10.396 -3.292 1.00 0.00 N ATOM 157 CA LEU A 14 -0.919 -11.070 -2.543 1.00 0.00 C ATOM 158 C LEU A 14 0.230 -10.113 -2.240 1.00 0.00 C ATOM 159 O LEU A 14 1.002 -10.328 -1.305 1.00 0.00 O ATOM 160 CB LEU A 14 -0.399 -12.275 -3.329 1.00 0.00 C ATOM 161 CG LEU A 14 -1.463 -13.227 -3.878 1.00 0.00 C ATOM 162 CD1 LEU A 14 -0.815 -14.340 -4.688 1.00 0.00 C ATOM 163 CD2 LEU A 14 -2.297 -13.806 -2.745 1.00 0.00 C ATOM 0 H LEU A 14 -2.270 -10.885 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.341 -11.414 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.198 -11.909 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.270 -12.843 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.124 -12.663 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.587 -15.008 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.262 -13.908 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.131 -14.902 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.049 -14.481 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.650 -14.355 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.791 -12.997 -2.206 1.00 0.00 H new ATOM 175 N LYS A 15 0.336 -9.053 -3.034 1.00 0.00 N ATOM 176 CA LYS A 15 1.387 -8.060 -2.850 1.00 0.00 C ATOM 177 C LYS A 15 0.972 -7.013 -1.821 1.00 0.00 C ATOM 178 O LYS A 15 1.711 -6.730 -0.878 1.00 0.00 O ATOM 179 CB LYS A 15 1.714 -7.380 -4.182 1.00 0.00 C ATOM 180 CG LYS A 15 2.936 -6.480 -4.121 1.00 0.00 C ATOM 181 CD LYS A 15 2.590 -5.109 -3.563 1.00 0.00 C ATOM 182 CE LYS A 15 3.540 -4.041 -4.083 1.00 0.00 C ATOM 183 NZ LYS A 15 4.942 -4.282 -3.641 1.00 0.00 N ATOM 0 H LYS A 15 -0.294 -8.860 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 15 2.276 -8.572 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.874 -8.145 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.854 -6.790 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.701 -6.945 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.360 -6.371 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.567 -4.851 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.632 -5.137 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.501 -4.020 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.212 -3.062 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.546 -3.497 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.973 -4.345 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.287 -5.173 -4.052 1.00 0.00 H new ATOM 197 N TRP A 16 -0.212 -6.443 -2.009 1.00 0.00 N ATOM 198 CA TRP A 16 -0.725 -5.429 -1.095 1.00 0.00 C ATOM 199 C TRP A 16 -0.420 -5.795 0.353 1.00 0.00 C ATOM 200 O TRP A 16 -0.083 -4.932 1.162 1.00 0.00 O ATOM 201 CB TRP A 16 -2.234 -5.259 -1.284 1.00 0.00 C ATOM 202 CG TRP A 16 -2.594 -4.472 -2.508 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.768 -4.145 -3.545 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.875 -3.913 -2.821 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.457 -3.416 -4.483 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.752 -3.261 -4.063 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.113 -3.902 -2.174 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.821 -2.604 -4.668 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.173 -3.250 -2.775 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.022 -2.609 -4.012 1.00 0.00 C ATOM 0 H TRP A 16 -0.835 -6.665 -2.786 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.228 -4.486 -1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.699 -6.243 -1.344 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.649 -4.763 -0.407 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.726 -4.419 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.068 -3.049 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.240 -4.394 -1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.706 -2.108 -5.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.134 -3.234 -2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.870 -2.109 -4.456 1.00 0.00 H new ATOM 221 N GLU A 17 -0.540 -7.081 0.671 1.00 0.00 N ATOM 222 CA GLU A 17 -0.277 -7.560 2.023 1.00 0.00 C ATOM 223 C GLU A 17 1.083 -7.073 2.518 1.00 0.00 C ATOM 224 O GLU A 17 1.219 -6.627 3.657 1.00 0.00 O ATOM 225 CB GLU A 17 -0.330 -9.088 2.066 1.00 0.00 C ATOM 226 CG GLU A 17 0.002 -9.671 3.430 1.00 0.00 C ATOM 227 CD GLU A 17 -0.669 -8.921 4.564 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.844 -9.221 4.861 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.019 -8.032 5.153 1.00 0.00 O ATOM 0 H GLU A 17 -0.817 -7.808 0.012 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.049 -7.158 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.327 -9.417 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.367 -9.488 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.305 -10.716 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.082 -9.652 3.576 1.00 0.00 H new ATOM 236 N LYS A 18 2.087 -7.162 1.653 1.00 0.00 N ATOM 237 CA LYS A 18 3.436 -6.732 1.999 1.00 0.00 C ATOM 238 C LYS A 18 3.456 -5.253 2.375 1.00 0.00 C ATOM 239 O LYS A 18 4.056 -4.867 3.377 1.00 0.00 O ATOM 240 CB LYS A 18 4.390 -6.984 0.829 1.00 0.00 C ATOM 241 CG LYS A 18 5.051 -8.351 0.866 1.00 0.00 C ATOM 242 CD LYS A 18 4.111 -9.438 0.373 1.00 0.00 C ATOM 243 CE LYS A 18 3.300 -10.033 1.514 1.00 0.00 C ATOM 244 NZ LYS A 18 2.776 -11.385 1.176 1.00 0.00 N ATOM 0 H LYS A 18 1.992 -7.529 0.706 1.00 0.00 H new ATOM 0 HA LYS A 18 3.766 -7.313 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.840 -6.881 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.163 -6.216 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.950 -8.338 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.367 -8.576 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.437 -9.025 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.687 -10.225 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.922 -10.097 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.468 -9.370 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.229 -11.756 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.162 -11.320 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.571 -12.025 0.973 1.00 0.00 H new ATOM 258 N GLU A 19 2.795 -4.432 1.565 1.00 0.00 N ATOM 259 CA GLU A 19 2.737 -2.997 1.814 1.00 0.00 C ATOM 260 C GLU A 19 1.869 -2.691 3.031 1.00 0.00 C ATOM 261 O GLU A 19 2.111 -1.723 3.751 1.00 0.00 O ATOM 262 CB GLU A 19 2.189 -2.265 0.587 1.00 0.00 C ATOM 263 CG GLU A 19 2.946 -2.575 -0.694 1.00 0.00 C ATOM 264 CD GLU A 19 4.405 -2.904 -0.445 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.184 -1.970 -0.162 1.00 0.00 O ATOM 266 OE2 GLU A 19 4.767 -4.096 -0.532 1.00 0.00 O ATOM 0 H GLU A 19 2.292 -4.736 0.731 1.00 0.00 H new ATOM 0 HA GLU A 19 3.750 -2.648 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.141 -2.532 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.224 -1.191 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.469 -3.415 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.880 -1.720 -1.366 1.00 0.00 H new ATOM 273 N GLU A 20 0.856 -3.524 3.253 1.00 0.00 N ATOM 274 CA GLU A 20 -0.049 -3.341 4.382 1.00 0.00 C ATOM 275 C GLU A 20 0.720 -3.332 5.700 1.00 0.00 C ATOM 276 O GLU A 20 0.314 -2.682 6.663 1.00 0.00 O ATOM 277 CB GLU A 20 -1.104 -4.449 4.403 1.00 0.00 C ATOM 278 CG GLU A 20 -2.368 -4.100 3.635 1.00 0.00 C ATOM 279 CD GLU A 20 -3.603 -4.766 4.210 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.526 -5.966 4.547 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.645 -4.088 4.323 1.00 0.00 O ATOM 0 H GLU A 20 0.642 -4.331 2.667 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.546 -2.378 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.673 -5.358 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.367 -4.670 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.506 -3.019 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.250 -4.399 2.594 1.00 0.00 H new ATOM 288 N ALA A 21 1.833 -4.057 5.734 1.00 0.00 N ATOM 289 CA ALA A 21 2.660 -4.132 6.932 1.00 0.00 C ATOM 290 C ALA A 21 3.476 -2.856 7.116 1.00 0.00 C ATOM 291 O ALA A 21 3.845 -2.500 8.236 1.00 0.00 O ATOM 292 CB ALA A 21 3.579 -5.342 6.864 1.00 0.00 C ATOM 0 H ALA A 21 2.183 -4.601 4.945 1.00 0.00 H new ATOM 0 HA ALA A 21 2.000 -4.238 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.191 -5.385 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.980 -6.250 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.225 -5.259 5.990 1.00 0.00 H new ATOM 298 N LEU A 22 3.753 -2.172 6.012 1.00 0.00 N ATOM 299 CA LEU A 22 4.526 -0.936 6.051 1.00 0.00 C ATOM 300 C LEU A 22 3.655 0.237 6.493 1.00 0.00 C ATOM 301 O LEU A 22 4.160 1.313 6.811 1.00 0.00 O ATOM 302 CB LEU A 22 5.133 -0.646 4.678 1.00 0.00 C ATOM 303 CG LEU A 22 5.950 -1.777 4.052 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.971 -1.647 2.537 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.366 -1.783 4.609 1.00 0.00 C ATOM 0 H LEU A 22 3.454 -2.453 5.078 1.00 0.00 H new ATOM 0 HA LEU A 22 5.330 -1.062 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.325 -0.387 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.773 0.232 4.764 1.00 0.00 H new ATOM 0 HG LEU A 22 5.476 -2.725 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.557 -2.461 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.952 -1.694 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.419 -0.693 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.933 -2.594 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.849 -0.832 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.332 -1.927 5.689 1.00 0.00 H new ATOM 317 N GLY A 23 2.344 0.019 6.512 1.00 0.00 N ATOM 318 CA GLY A 23 1.424 1.065 6.918 1.00 0.00 C ATOM 319 C GLY A 23 1.640 2.356 6.154 1.00 0.00 C ATOM 320 O GLY A 23 1.481 2.397 4.934 1.00 0.00 O ATOM 0 H GLY A 23 1.902 -0.863 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.400 0.723 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.542 1.254 7.985 1.00 0.00 H new ATOM 324 N GLU A 24 2.003 3.414 6.873 1.00 0.00 N ATOM 325 CA GLU A 24 2.239 4.713 6.254 1.00 0.00 C ATOM 326 C GLU A 24 3.340 4.622 5.201 1.00 0.00 C ATOM 327 O GLU A 24 3.520 5.535 4.396 1.00 0.00 O ATOM 328 CB GLU A 24 2.617 5.748 7.316 1.00 0.00 C ATOM 329 CG GLU A 24 1.513 6.015 8.325 1.00 0.00 C ATOM 330 CD GLU A 24 2.043 6.556 9.639 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.361 7.762 9.698 1.00 0.00 O ATOM 332 OE2 GLU A 24 2.139 5.774 10.608 1.00 0.00 O ATOM 0 H GLU A 24 2.140 3.397 7.884 1.00 0.00 H new ATOM 0 HA GLU A 24 1.317 5.026 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.506 5.405 7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.881 6.683 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.804 6.727 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.965 5.092 8.511 1.00 0.00 H new ATOM 339 N MET A 25 4.074 3.515 5.216 1.00 0.00 N ATOM 340 CA MET A 25 5.158 3.304 4.263 1.00 0.00 C ATOM 341 C MET A 25 4.683 2.472 3.076 1.00 0.00 C ATOM 342 O MET A 25 5.483 2.059 2.236 1.00 0.00 O ATOM 343 CB MET A 25 6.339 2.612 4.946 1.00 0.00 C ATOM 344 CG MET A 25 7.369 3.580 5.506 1.00 0.00 C ATOM 345 SD MET A 25 8.325 4.401 4.216 1.00 0.00 S ATOM 346 CE MET A 25 9.113 2.996 3.433 1.00 0.00 C ATOM 0 H MET A 25 3.938 2.750 5.877 1.00 0.00 H new ATOM 0 HA MET A 25 5.481 4.278 3.896 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.964 1.985 5.755 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.826 1.950 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.863 4.332 6.112 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.047 3.040 6.167 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.131 3.261 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.137 2.158 4.129 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.551 2.713 2.543 1.00 0.00 H new ATOM 356 N ALA A 26 3.378 2.230 3.012 1.00 0.00 N ATOM 357 CA ALA A 26 2.798 1.448 1.927 1.00 0.00 C ATOM 358 C ALA A 26 3.231 1.990 0.569 1.00 0.00 C ATOM 359 O ALA A 26 3.058 3.173 0.276 1.00 0.00 O ATOM 360 CB ALA A 26 1.280 1.440 2.035 1.00 0.00 C ATOM 0 H ALA A 26 2.702 2.564 3.699 1.00 0.00 H new ATOM 0 HA ALA A 26 3.162 0.424 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.860 0.852 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.985 1.000 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.906 2.462 1.976 1.00 0.00 H new ATOM 366 N THR A 27 3.795 1.116 -0.259 1.00 0.00 N ATOM 367 CA THR A 27 4.254 1.506 -1.586 1.00 0.00 C ATOM 368 C THR A 27 3.107 1.493 -2.591 1.00 0.00 C ATOM 369 O THR A 27 3.330 1.475 -3.801 1.00 0.00 O ATOM 370 CB THR A 27 5.373 0.576 -2.090 1.00 0.00 C ATOM 371 OG1 THR A 27 4.857 -0.743 -2.299 1.00 0.00 O ATOM 372 CG2 THR A 27 6.523 0.524 -1.094 1.00 0.00 C ATOM 0 H THR A 27 3.945 0.133 -0.033 1.00 0.00 H new ATOM 0 HA THR A 27 4.646 2.519 -1.499 1.00 0.00 H new ATOM 0 HB THR A 27 5.747 0.973 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.420 -1.393 -1.828 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.302 -0.139 -1.471 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.933 1.525 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.159 0.149 -0.137 1.00 0.00 H new ATOM 380 N VAL A 28 1.880 1.503 -2.081 1.00 0.00 N ATOM 381 CA VAL A 28 0.698 1.494 -2.934 1.00 0.00 C ATOM 382 C VAL A 28 -0.239 2.645 -2.588 1.00 0.00 C ATOM 383 O VAL A 28 -0.233 3.147 -1.464 1.00 0.00 O ATOM 384 CB VAL A 28 -0.073 0.165 -2.812 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.735 -0.192 -4.134 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.857 -0.949 -2.353 1.00 0.00 C ATOM 0 H VAL A 28 1.679 1.517 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 28 1.048 1.610 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.856 0.286 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.275 -1.133 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.433 0.596 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.027 -0.295 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.297 -1.880 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.663 -1.072 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.279 -0.694 -1.381 1.00 0.00 H new ATOM 396 N ALA A 29 -1.044 3.060 -3.561 1.00 0.00 N ATOM 397 CA ALA A 29 -1.989 4.151 -3.358 1.00 0.00 C ATOM 398 C ALA A 29 -3.128 3.727 -2.437 1.00 0.00 C ATOM 399 O ALA A 29 -3.382 4.341 -1.401 1.00 0.00 O ATOM 400 CB ALA A 29 -2.537 4.629 -4.694 1.00 0.00 C ATOM 0 H ALA A 29 -1.060 2.657 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.459 4.974 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.242 5.444 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.716 4.981 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.047 3.805 -5.194 1.00 0.00 H new ATOM 406 N PRO A 30 -3.832 2.652 -2.823 1.00 0.00 N ATOM 407 CA PRO A 30 -4.956 2.122 -2.045 1.00 0.00 C ATOM 408 C PRO A 30 -4.506 1.480 -0.738 1.00 0.00 C ATOM 409 O PRO A 30 -5.077 1.738 0.322 1.00 0.00 O ATOM 410 CB PRO A 30 -5.566 1.070 -2.975 1.00 0.00 C ATOM 411 CG PRO A 30 -4.444 0.651 -3.861 1.00 0.00 C ATOM 412 CD PRO A 30 -3.585 1.871 -4.046 1.00 0.00 C ATOM 0 HA PRO A 30 -5.653 2.907 -1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.962 0.225 -2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.393 1.484 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.875 -0.163 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.817 0.288 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.532 1.609 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.864 2.427 -4.941 1.00 0.00 H new ATOM 420 N VAL A 31 -3.476 0.643 -0.819 1.00 0.00 N ATOM 421 CA VAL A 31 -2.948 -0.035 0.358 1.00 0.00 C ATOM 422 C VAL A 31 -2.433 0.967 1.385 1.00 0.00 C ATOM 423 O VAL A 31 -2.334 0.660 2.574 1.00 0.00 O ATOM 424 CB VAL A 31 -1.808 -1.002 -0.015 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.484 -1.922 1.152 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.177 -1.807 -1.252 1.00 0.00 C ATOM 0 H VAL A 31 -2.991 0.419 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.771 -0.604 0.791 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.917 -0.416 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.677 -2.598 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.175 -1.326 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.368 -2.503 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.361 -2.485 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.080 -2.384 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.354 -1.130 -2.087 1.00 0.00 H new ATOM 436 N LEU A 32 -2.106 2.168 0.919 1.00 0.00 N ATOM 437 CA LEU A 32 -1.601 3.218 1.797 1.00 0.00 C ATOM 438 C LEU A 32 -2.749 4.010 2.415 1.00 0.00 C ATOM 439 O LEU A 32 -2.830 4.156 3.635 1.00 0.00 O ATOM 440 CB LEU A 32 -0.678 4.158 1.021 1.00 0.00 C ATOM 441 CG LEU A 32 -0.308 5.466 1.723 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.438 5.184 3.018 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.529 6.345 0.805 1.00 0.00 C ATOM 0 H LEU A 32 -2.182 2.439 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.036 2.745 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.242 3.621 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.155 4.401 0.071 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.227 5.999 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.693 6.126 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.194 4.594 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.351 4.630 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.783 7.271 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.444 5.819 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.040 6.575 -0.096 1.00 0.00 H new ATOM 455 N TYR A 33 -3.636 4.516 1.566 1.00 0.00 N ATOM 456 CA TYR A 33 -4.780 5.293 2.028 1.00 0.00 C ATOM 457 C TYR A 33 -5.429 4.637 3.243 1.00 0.00 C ATOM 458 O TYR A 33 -5.638 5.278 4.273 1.00 0.00 O ATOM 459 CB TYR A 33 -5.808 5.444 0.906 1.00 0.00 C ATOM 460 CG TYR A 33 -7.131 6.010 1.369 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.124 5.182 1.877 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.388 7.374 1.299 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.335 5.695 2.300 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.595 7.896 1.722 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.566 7.052 2.221 1.00 0.00 C ATOM 466 OH TYR A 33 -10.770 7.567 2.643 1.00 0.00 O ATOM 0 H TYR A 33 -3.585 4.402 0.554 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.422 6.281 2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.396 6.092 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.979 4.470 0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.946 4.119 1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.631 8.037 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.097 5.037 2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.778 8.959 1.662 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.643 8.046 3.489 1.00 0.00 H new ATOM 476 N THR A 34 -5.745 3.352 3.115 1.00 0.00 N ATOM 477 CA THR A 34 -6.371 2.607 4.200 1.00 0.00 C ATOM 478 C THR A 34 -5.461 2.546 5.421 1.00 0.00 C ATOM 479 O THR A 34 -5.906 2.749 6.549 1.00 0.00 O ATOM 480 CB THR A 34 -6.725 1.172 3.765 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.574 0.532 3.204 1.00 0.00 O ATOM 482 CG2 THR A 34 -7.855 1.179 2.747 1.00 0.00 C ATOM 0 H THR A 34 -5.577 2.806 2.270 1.00 0.00 H new ATOM 0 HA THR A 34 -7.288 3.136 4.460 1.00 0.00 H new ATOM 0 HB THR A 34 -7.054 0.619 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.451 0.833 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.088 0.155 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.739 1.640 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.549 1.747 1.868 1.00 0.00 H new ATOM 490 N ASN A 35 -4.183 2.264 5.187 1.00 0.00 N ATOM 491 CA ASN A 35 -3.209 2.176 6.269 1.00 0.00 C ATOM 492 C ASN A 35 -3.304 3.392 7.186 1.00 0.00 C ATOM 493 O ASN A 35 -3.199 3.271 8.407 1.00 0.00 O ATOM 494 CB ASN A 35 -1.793 2.061 5.701 1.00 0.00 C ATOM 495 CG ASN A 35 -1.440 0.638 5.314 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.122 -0.311 5.703 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.370 0.483 4.543 1.00 0.00 N ATOM 0 H ASN A 35 -3.798 2.093 4.258 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.432 1.283 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.701 2.706 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.078 2.422 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.084 -0.451 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.166 1.298 4.244 1.00 0.00 H new ATOM 504 N ILE A 36 -3.502 4.562 6.589 1.00 0.00 N ATOM 505 CA ILE A 36 -3.613 5.800 7.352 1.00 0.00 C ATOM 506 C ILE A 36 -5.055 6.060 7.771 1.00 0.00 C ATOM 507 O ILE A 36 -5.379 6.050 8.958 1.00 0.00 O ATOM 508 CB ILE A 36 -3.099 7.006 6.544 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.639 6.793 6.141 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.249 8.287 7.352 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.198 7.663 4.984 1.00 0.00 C ATOM 0 H ILE A 36 -3.589 4.679 5.580 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.995 5.679 8.242 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.697 7.098 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.000 6.995 7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.493 5.746 5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.882 9.131 6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.300 8.444 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.673 8.205 8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.153 7.459 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.812 7.445 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.311 8.713 5.254 1.00 0.00 H new ATOM 523 N ASN A 37 -5.919 6.291 6.788 1.00 0.00 N ATOM 524 CA ASN A 37 -7.329 6.553 7.055 1.00 0.00 C ATOM 525 C ASN A 37 -7.907 5.506 8.003 1.00 0.00 C ATOM 526 O ASN A 37 -8.496 5.841 9.030 1.00 0.00 O ATOM 527 CB ASN A 37 -8.123 6.567 5.747 1.00 0.00 C ATOM 528 CG ASN A 37 -8.098 7.924 5.070 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.140 8.547 4.865 1.00 0.00 O ATOM 530 ND2 ASN A 37 -6.904 8.388 4.719 1.00 0.00 N ATOM 0 H ASN A 37 -5.668 6.302 5.799 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.408 7.531 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.714 5.818 5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.156 6.284 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.824 9.295 4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.067 7.837 4.909 1.00 0.00 H new ATOM 537 N PHE A 38 -7.733 4.237 7.650 1.00 0.00 N ATOM 538 CA PHE A 38 -8.237 3.140 8.468 1.00 0.00 C ATOM 539 C PHE A 38 -7.097 2.437 9.198 1.00 0.00 C ATOM 540 O PHE A 38 -6.532 1.454 8.718 1.00 0.00 O ATOM 541 CB PHE A 38 -8.998 2.136 7.600 1.00 0.00 C ATOM 542 CG PHE A 38 -10.236 2.707 6.968 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.151 3.472 5.816 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.483 2.478 7.526 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.288 3.998 5.232 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.623 3.002 6.946 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.526 3.764 5.798 1.00 0.00 C ATOM 0 H PHE A 38 -7.247 3.943 6.803 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.918 3.557 9.210 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.335 1.770 6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.275 1.276 8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.186 3.659 5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.565 1.884 8.424 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.208 4.592 4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.590 2.816 7.390 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.415 4.176 5.344 1.00 0.00 H new ATOM 557 N PRO A 39 -6.748 2.953 10.386 1.00 0.00 N ATOM 558 CA PRO A 39 -5.672 2.391 11.208 1.00 0.00 C ATOM 559 C PRO A 39 -6.040 1.032 11.795 1.00 0.00 C ATOM 560 O PRO A 39 -5.225 0.111 11.810 1.00 0.00 O ATOM 561 CB PRO A 39 -5.499 3.426 12.322 1.00 0.00 C ATOM 562 CG PRO A 39 -6.821 4.106 12.416 1.00 0.00 C ATOM 563 CD PRO A 39 -7.378 4.123 11.019 1.00 0.00 C ATOM 0 HA PRO A 39 -4.766 2.214 10.628 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.230 2.951 13.265 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.705 4.134 12.084 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.487 3.573 13.095 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.712 5.118 12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.465 4.043 11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.126 5.046 10.497 1.00 0.00 H new ATOM 571 N ASN A 40 -7.273 0.916 12.278 1.00 0.00 N ATOM 572 CA ASN A 40 -7.749 -0.331 12.866 1.00 0.00 C ATOM 573 C ASN A 40 -8.374 -1.230 11.804 1.00 0.00 C ATOM 574 O ASN A 40 -9.035 -2.219 12.123 1.00 0.00 O ATOM 575 CB ASN A 40 -8.768 -0.041 13.970 1.00 0.00 C ATOM 576 CG ASN A 40 -8.112 0.187 15.318 1.00 0.00 C ATOM 577 OD1 ASN A 40 -7.764 -0.763 16.020 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.941 1.451 15.686 1.00 0.00 N ATOM 0 H ASN A 40 -7.960 1.670 12.274 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.893 -0.851 13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.352 0.839 13.700 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.465 -0.875 14.045 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.506 1.667 16.583 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.245 2.207 15.072 1.00 0.00 H new ATOM 585 N LEU A 41 -8.159 -0.881 10.541 1.00 0.00 N ATOM 586 CA LEU A 41 -8.700 -1.657 9.430 1.00 0.00 C ATOM 587 C LEU A 41 -8.587 -3.153 9.705 1.00 0.00 C ATOM 588 O LEU A 41 -9.582 -3.878 9.673 1.00 0.00 O ATOM 589 CB LEU A 41 -7.967 -1.308 8.134 1.00 0.00 C ATOM 590 CG LEU A 41 -8.510 -1.958 6.860 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.594 -1.091 6.239 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.385 -2.203 5.865 1.00 0.00 C ATOM 0 H LEU A 41 -7.614 -0.066 10.260 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.755 -1.405 9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.993 -0.226 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.920 -1.591 8.245 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.950 -2.920 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.968 -1.569 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.412 -0.967 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.180 -0.114 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.790 -2.666 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.916 -1.254 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.643 -2.865 6.311 1.00 0.00 H new ATOM 604 N LYS A 42 -7.370 -3.609 9.977 1.00 0.00 N ATOM 605 CA LYS A 42 -7.125 -5.018 10.262 1.00 0.00 C ATOM 606 C LYS A 42 -8.209 -5.584 11.174 1.00 0.00 C ATOM 607 O LYS A 42 -8.692 -6.696 10.962 1.00 0.00 O ATOM 608 CB LYS A 42 -5.751 -5.198 10.911 1.00 0.00 C ATOM 609 CG LYS A 42 -5.536 -4.320 12.131 1.00 0.00 C ATOM 610 CD LYS A 42 -4.283 -4.721 12.892 1.00 0.00 C ATOM 611 CE LYS A 42 -3.034 -4.123 12.264 1.00 0.00 C ATOM 612 NZ LYS A 42 -1.867 -4.176 13.188 1.00 0.00 N ATOM 0 H LYS A 42 -6.536 -3.022 10.006 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.147 -5.563 9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.628 -6.242 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.979 -4.978 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.457 -3.278 11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.402 -4.392 12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.364 -4.391 13.928 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.198 -5.808 12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.795 -4.662 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.229 -3.088 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.036 -3.759 12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.084 -3.641 14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.665 -5.166 13.435 1.00 0.00 H new ATOM 626 N GLU A 43 -8.585 -4.812 12.189 1.00 0.00 N ATOM 627 CA GLU A 43 -9.612 -5.238 13.133 1.00 0.00 C ATOM 628 C GLU A 43 -10.944 -5.460 12.423 1.00 0.00 C ATOM 629 O GLU A 43 -11.475 -6.570 12.411 1.00 0.00 O ATOM 630 CB GLU A 43 -9.779 -4.198 14.242 1.00 0.00 C ATOM 631 CG GLU A 43 -8.493 -3.898 14.994 1.00 0.00 C ATOM 632 CD GLU A 43 -8.284 -4.817 16.182 1.00 0.00 C ATOM 633 OE1 GLU A 43 -8.153 -6.040 15.969 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.251 -4.313 17.324 1.00 0.00 O ATOM 0 H GLU A 43 -8.194 -3.889 12.379 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.294 -6.182 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.160 -3.274 13.807 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.530 -4.551 14.949 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.647 -3.993 14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.510 -2.864 15.338 1.00 0.00 H new ATOM 641 N GLU A 44 -11.479 -4.395 11.833 1.00 0.00 N ATOM 642 CA GLU A 44 -12.750 -4.474 11.123 1.00 0.00 C ATOM 643 C GLU A 44 -12.793 -5.703 10.220 1.00 0.00 C ATOM 644 O GLU A 44 -13.807 -6.398 10.147 1.00 0.00 O ATOM 645 CB GLU A 44 -12.974 -3.208 10.292 1.00 0.00 C ATOM 646 CG GLU A 44 -13.642 -2.083 11.065 1.00 0.00 C ATOM 647 CD GLU A 44 -15.151 -2.222 11.109 1.00 0.00 C ATOM 648 OE1 GLU A 44 -15.783 -2.175 10.033 1.00 0.00 O ATOM 649 OE2 GLU A 44 -15.700 -2.377 12.220 1.00 0.00 O ATOM 0 H GLU A 44 -11.052 -3.469 11.833 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.546 -4.560 11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.014 -2.857 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.587 -3.456 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.253 -2.065 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.382 -1.128 10.608 1.00 0.00 H new ATOM 656 N PHE A 45 -11.687 -5.964 9.532 1.00 0.00 N ATOM 657 CA PHE A 45 -11.598 -7.108 8.632 1.00 0.00 C ATOM 658 C PHE A 45 -10.282 -7.854 8.829 1.00 0.00 C ATOM 659 O PHE A 45 -9.254 -7.518 8.241 1.00 0.00 O ATOM 660 CB PHE A 45 -11.725 -6.651 7.178 1.00 0.00 C ATOM 661 CG PHE A 45 -12.826 -5.653 6.957 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.597 -4.298 7.132 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.091 -6.072 6.575 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.608 -3.378 6.929 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.106 -5.156 6.371 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.865 -3.808 6.549 1.00 0.00 C ATOM 0 H PHE A 45 -10.839 -5.399 9.580 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.418 -7.787 8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.779 -6.213 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.902 -7.521 6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.617 -3.957 7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.286 -7.125 6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.416 -2.324 7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.087 -5.495 6.072 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.657 -3.091 6.392 1.00 0.00 H new ATOM 676 N PRO A 46 -10.312 -8.892 9.679 1.00 0.00 N ATOM 677 CA PRO A 46 -9.131 -9.709 9.974 1.00 0.00 C ATOM 678 C PRO A 46 -8.707 -10.566 8.786 1.00 0.00 C ATOM 679 O PRO A 46 -7.527 -10.626 8.441 1.00 0.00 O ATOM 680 CB PRO A 46 -9.592 -10.593 11.135 1.00 0.00 C ATOM 681 CG PRO A 46 -11.072 -10.673 10.986 1.00 0.00 C ATOM 682 CD PRO A 46 -11.502 -9.350 10.415 1.00 0.00 C ATOM 0 HA PRO A 46 -8.260 -9.097 10.207 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.135 -11.581 11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.314 -10.161 12.096 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.354 -11.493 10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.552 -10.858 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.364 -9.458 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.785 -8.647 11.199 1.00 0.00 H new ATOM 690 N ASP A 47 -9.677 -11.229 8.165 1.00 0.00 N ATOM 691 CA ASP A 47 -9.404 -12.082 7.015 1.00 0.00 C ATOM 692 C ASP A 47 -9.032 -11.246 5.794 1.00 0.00 C ATOM 693 O ASP A 47 -9.875 -10.553 5.224 1.00 0.00 O ATOM 694 CB ASP A 47 -10.621 -12.954 6.700 1.00 0.00 C ATOM 695 CG ASP A 47 -11.208 -13.598 7.940 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.974 -12.918 8.656 1.00 0.00 O ATOM 697 OD2 ASP A 47 -10.904 -14.782 8.194 1.00 0.00 O ATOM 0 H ASP A 47 -10.659 -11.192 8.439 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.560 -12.725 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.384 -12.346 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.334 -13.731 5.992 1.00 0.00 H new ATOM 702 N TRP A 48 -7.766 -11.316 5.399 1.00 0.00 N ATOM 703 CA TRP A 48 -7.282 -10.565 4.246 1.00 0.00 C ATOM 704 C TRP A 48 -8.260 -10.667 3.081 1.00 0.00 C ATOM 705 O TRP A 48 -8.819 -9.665 2.636 1.00 0.00 O ATOM 706 CB TRP A 48 -5.905 -11.076 3.820 1.00 0.00 C ATOM 707 CG TRP A 48 -5.396 -10.434 2.565 1.00 0.00 C ATOM 708 CD1 TRP A 48 -4.980 -11.069 1.430 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.246 -9.031 2.320 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.581 -10.146 0.494 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.736 -8.889 1.015 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.496 -7.882 3.075 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.470 -7.643 0.452 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.231 -6.647 2.515 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.723 -6.535 1.214 1.00 0.00 C ATOM 0 H TRP A 48 -7.056 -11.885 5.860 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.199 -9.517 4.535 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.193 -10.897 4.626 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.955 -12.155 3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.967 -12.140 1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.227 -10.362 -0.438 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.889 -7.958 4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.078 -7.555 -0.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.419 -5.752 3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.527 -5.555 0.805 1.00 0.00 H new ATOM 726 N THR A 49 -8.462 -11.886 2.589 1.00 0.00 N ATOM 727 CA THR A 49 -9.372 -12.119 1.474 1.00 0.00 C ATOM 728 C THR A 49 -10.637 -11.280 1.612 1.00 0.00 C ATOM 729 O THR A 49 -11.292 -10.956 0.621 1.00 0.00 O ATOM 730 CB THR A 49 -9.764 -13.605 1.370 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.664 -14.431 1.769 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.179 -13.956 -0.051 1.00 0.00 C ATOM 0 H THR A 49 -8.008 -12.727 2.945 1.00 0.00 H new ATOM 0 HA THR A 49 -8.842 -11.826 0.567 1.00 0.00 H new ATOM 0 HB THR A 49 -10.610 -13.783 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.922 -15.374 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.451 -15.010 -0.101 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.034 -13.346 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.349 -13.764 -0.731 1.00 0.00 H new ATOM 740 N THR A 50 -10.977 -10.928 2.849 1.00 0.00 N ATOM 741 CA THR A 50 -12.164 -10.127 3.116 1.00 0.00 C ATOM 742 C THR A 50 -11.806 -8.656 3.292 1.00 0.00 C ATOM 743 O THR A 50 -12.579 -7.771 2.924 1.00 0.00 O ATOM 744 CB THR A 50 -12.901 -10.618 4.377 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.331 -11.972 4.196 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.102 -9.736 4.680 1.00 0.00 C ATOM 0 H THR A 50 -10.446 -11.186 3.681 1.00 0.00 H new ATOM 0 HA THR A 50 -12.821 -10.238 2.253 1.00 0.00 H new ATOM 0 HB THR A 50 -12.210 -10.565 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.797 -12.278 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.606 -10.102 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.769 -8.712 4.845 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.793 -9.761 3.838 1.00 0.00 H new ATOM 754 N ARG A 51 -10.630 -8.401 3.856 1.00 0.00 N ATOM 755 CA ARG A 51 -10.170 -7.036 4.081 1.00 0.00 C ATOM 756 C ARG A 51 -9.796 -6.364 2.763 1.00 0.00 C ATOM 757 O ARG A 51 -10.251 -5.259 2.466 1.00 0.00 O ATOM 758 CB ARG A 51 -8.969 -7.029 5.028 1.00 0.00 C ATOM 759 CG ARG A 51 -8.305 -5.668 5.160 1.00 0.00 C ATOM 760 CD ARG A 51 -7.417 -5.599 6.392 1.00 0.00 C ATOM 761 NE ARG A 51 -6.391 -6.639 6.387 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.299 -6.597 7.142 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.091 -5.573 7.958 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.412 -7.582 7.082 1.00 0.00 N ATOM 0 H ARG A 51 -9.978 -9.122 4.166 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.986 -6.475 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.293 -7.363 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.233 -7.750 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.710 -5.464 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.069 -4.893 5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.940 -4.620 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.031 -5.700 7.287 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.520 -7.441 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.771 -4.814 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.251 -5.544 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.569 -8.372 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.574 -7.549 7.662 1.00 0.00 H new ATOM 778 N VAL A 52 -8.965 -7.039 1.976 1.00 0.00 N ATOM 779 CA VAL A 52 -8.530 -6.508 0.689 1.00 0.00 C ATOM 780 C VAL A 52 -9.680 -5.822 -0.039 1.00 0.00 C ATOM 781 O VAL A 52 -9.550 -4.688 -0.500 1.00 0.00 O ATOM 782 CB VAL A 52 -7.957 -7.619 -0.211 1.00 0.00 C ATOM 783 CG1 VAL A 52 -9.027 -8.651 -0.534 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.377 -7.024 -1.486 1.00 0.00 C ATOM 0 H VAL A 52 -8.579 -7.955 2.207 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.747 -5.778 0.895 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.154 -8.121 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.603 -9.428 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.392 -9.099 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.854 -8.167 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.976 -7.822 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.160 -6.496 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.579 -6.327 -1.232 1.00 0.00 H new ATOM 794 N LYS A 53 -10.809 -6.517 -0.139 1.00 0.00 N ATOM 795 CA LYS A 53 -11.984 -5.975 -0.810 1.00 0.00 C ATOM 796 C LYS A 53 -12.327 -4.589 -0.272 1.00 0.00 C ATOM 797 O LYS A 53 -12.743 -3.708 -1.024 1.00 0.00 O ATOM 798 CB LYS A 53 -13.179 -6.914 -0.628 1.00 0.00 C ATOM 799 CG LYS A 53 -12.959 -8.298 -1.213 1.00 0.00 C ATOM 800 CD LYS A 53 -13.820 -9.340 -0.520 1.00 0.00 C ATOM 801 CE LYS A 53 -14.011 -10.574 -1.389 1.00 0.00 C ATOM 802 NZ LYS A 53 -15.094 -11.455 -0.872 1.00 0.00 N ATOM 0 H LYS A 53 -10.934 -7.457 0.237 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.757 -5.887 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.397 -7.009 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.056 -6.467 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.190 -8.284 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.908 -8.571 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.357 -9.627 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.792 -8.909 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.248 -10.267 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.077 -11.135 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.193 -12.284 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.857 -11.769 0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.991 -10.928 -0.853 1.00 0.00 H new ATOM 816 N GLN A 54 -12.149 -4.405 1.032 1.00 0.00 N ATOM 817 CA GLN A 54 -12.439 -3.125 1.669 1.00 0.00 C ATOM 818 C GLN A 54 -11.495 -2.039 1.163 1.00 0.00 C ATOM 819 O GLN A 54 -11.888 -0.881 1.018 1.00 0.00 O ATOM 820 CB GLN A 54 -12.324 -3.251 3.189 1.00 0.00 C ATOM 821 CG GLN A 54 -13.241 -4.307 3.784 1.00 0.00 C ATOM 822 CD GLN A 54 -14.705 -3.919 3.706 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.540 -4.694 3.237 1.00 0.00 O ATOM 824 NE2 GLN A 54 -15.024 -2.715 4.166 1.00 0.00 N ATOM 0 H GLN A 54 -11.806 -5.125 1.668 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.460 -2.842 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.293 -3.490 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.552 -2.287 3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.091 -5.251 3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.968 -4.474 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.300 -2.106 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.994 -2.399 4.139 1.00 0.00 H new ATOM 833 N ILE A 55 -10.251 -2.421 0.897 1.00 0.00 N ATOM 834 CA ILE A 55 -9.252 -1.479 0.407 1.00 0.00 C ATOM 835 C ILE A 55 -9.652 -0.909 -0.950 1.00 0.00 C ATOM 836 O ILE A 55 -9.421 0.266 -1.234 1.00 0.00 O ATOM 837 CB ILE A 55 -7.867 -2.141 0.284 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.422 -2.698 1.638 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.847 -1.142 -0.244 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.183 -3.563 1.558 1.00 0.00 C ATOM 0 H ILE A 55 -9.911 -3.376 1.012 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.197 -0.671 1.136 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.937 -2.968 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.232 -1.868 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.236 -3.282 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.873 -1.625 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.160 -0.788 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.777 -0.297 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.926 -3.923 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.374 -4.413 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.355 -2.977 1.159 1.00 0.00 H new ATOM 852 N ALA A 56 -10.257 -1.749 -1.784 1.00 0.00 N ATOM 853 CA ALA A 56 -10.693 -1.329 -3.109 1.00 0.00 C ATOM 854 C ALA A 56 -11.903 -0.404 -3.021 1.00 0.00 C ATOM 855 O ALA A 56 -11.857 0.740 -3.475 1.00 0.00 O ATOM 856 CB ALA A 56 -11.016 -2.542 -3.968 1.00 0.00 C ATOM 0 H ALA A 56 -10.456 -2.725 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.877 -0.775 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.340 -2.213 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.127 -3.165 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.812 -3.119 -3.498 1.00 0.00 H new ATOM 862 N LYS A 57 -12.984 -0.906 -2.434 1.00 0.00 N ATOM 863 CA LYS A 57 -14.207 -0.125 -2.285 1.00 0.00 C ATOM 864 C LYS A 57 -13.907 1.248 -1.692 1.00 0.00 C ATOM 865 O LYS A 57 -14.360 2.270 -2.207 1.00 0.00 O ATOM 866 CB LYS A 57 -15.206 -0.869 -1.397 1.00 0.00 C ATOM 867 CG LYS A 57 -14.908 -0.749 0.087 1.00 0.00 C ATOM 868 CD LYS A 57 -15.940 -1.485 0.925 1.00 0.00 C ATOM 869 CE LYS A 57 -17.106 -0.582 1.293 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.251 -1.353 1.850 1.00 0.00 N ATOM 0 H LYS A 57 -13.038 -1.851 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.643 0.014 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.207 -0.484 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.211 -1.923 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.916 -1.152 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.890 0.303 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.308 -2.350 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.470 -1.863 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.776 0.157 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.433 -0.033 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.025 -0.701 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.582 -2.041 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.946 -1.856 2.707 1.00 0.00 H new ATOM 884 N LEU A 58 -13.139 1.263 -0.608 1.00 0.00 N ATOM 885 CA LEU A 58 -12.777 2.511 0.055 1.00 0.00 C ATOM 886 C LEU A 58 -11.961 3.404 -0.874 1.00 0.00 C ATOM 887 O LEU A 58 -12.226 4.601 -0.992 1.00 0.00 O ATOM 888 CB LEU A 58 -11.983 2.223 1.330 1.00 0.00 C ATOM 889 CG LEU A 58 -12.734 1.477 2.434 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.756 0.833 3.404 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.675 2.420 3.170 1.00 0.00 C ATOM 0 H LEU A 58 -12.755 0.426 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.697 3.034 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.101 1.642 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.629 3.171 1.736 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.329 0.688 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.309 0.307 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.123 0.126 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.134 1.604 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.201 1.872 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.100 3.230 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.398 2.834 2.467 1.00 0.00 H new ATOM 903 N TRP A 59 -10.969 2.815 -1.533 1.00 0.00 N ATOM 904 CA TRP A 59 -10.116 3.557 -2.454 1.00 0.00 C ATOM 905 C TRP A 59 -10.940 4.191 -3.569 1.00 0.00 C ATOM 906 O TRP A 59 -10.730 5.351 -3.925 1.00 0.00 O ATOM 907 CB TRP A 59 -9.052 2.635 -3.051 1.00 0.00 C ATOM 908 CG TRP A 59 -8.172 3.315 -4.056 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.188 3.141 -5.410 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.146 4.276 -3.785 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.234 3.936 -5.998 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.582 4.643 -5.023 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.650 4.865 -2.618 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.547 5.569 -5.123 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.623 5.783 -2.720 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.081 6.129 -3.965 1.00 0.00 C ATOM 0 H TRP A 59 -10.736 1.826 -1.446 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.625 4.353 -1.894 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.433 2.238 -2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.543 1.785 -3.525 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.853 2.476 -5.941 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.042 3.991 -6.998 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.063 4.607 -1.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.127 5.836 -6.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.231 6.242 -1.825 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.280 6.852 -4.011 1.00 0.00 H new ATOM 927 N ARG A 60 -11.878 3.424 -4.115 1.00 0.00 N ATOM 928 CA ARG A 60 -12.733 3.912 -5.191 1.00 0.00 C ATOM 929 C ARG A 60 -13.586 5.085 -4.717 1.00 0.00 C ATOM 930 O ARG A 60 -13.753 6.074 -5.431 1.00 0.00 O ATOM 931 CB ARG A 60 -13.633 2.787 -5.705 1.00 0.00 C ATOM 932 CG ARG A 60 -12.867 1.623 -6.313 1.00 0.00 C ATOM 933 CD ARG A 60 -13.695 0.898 -7.362 1.00 0.00 C ATOM 934 NE ARG A 60 -13.713 1.613 -8.635 1.00 0.00 N ATOM 935 CZ ARG A 60 -14.214 1.105 -9.756 1.00 0.00 C ATOM 936 NH1 ARG A 60 -14.735 -0.114 -9.761 1.00 0.00 N ATOM 937 NH2 ARG A 60 -14.194 1.818 -10.875 1.00 0.00 N ATOM 0 H ARG A 60 -12.065 2.463 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.093 4.256 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.245 2.418 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.315 3.192 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.945 1.989 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.581 0.924 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.291 -0.103 -7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.716 0.778 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.320 2.554 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.752 -0.665 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.119 -0.501 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.794 2.756 -10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.579 1.428 -11.735 1.00 0.00 H new ATOM 951 N LYS A 61 -14.126 4.967 -3.509 1.00 0.00 N ATOM 952 CA LYS A 61 -14.962 6.017 -2.938 1.00 0.00 C ATOM 953 C LYS A 61 -14.218 7.348 -2.908 1.00 0.00 C ATOM 954 O LYS A 61 -14.796 8.399 -3.186 1.00 0.00 O ATOM 955 CB LYS A 61 -15.403 5.634 -1.524 1.00 0.00 C ATOM 956 CG LYS A 61 -16.525 6.502 -0.980 1.00 0.00 C ATOM 957 CD LYS A 61 -17.231 5.833 0.187 1.00 0.00 C ATOM 958 CE LYS A 61 -16.412 5.932 1.465 1.00 0.00 C ATOM 959 NZ LYS A 61 -15.418 4.828 1.574 1.00 0.00 N ATOM 0 H LYS A 61 -14.000 4.154 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.844 6.128 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.727 4.593 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.546 5.701 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.121 7.462 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.245 6.707 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.204 6.299 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.413 4.785 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.894 6.891 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.079 5.906 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.439 4.436 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.654 4.080 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.467 5.196 1.370 1.00 0.00 H new ATOM 973 N ALA A 62 -12.934 7.296 -2.569 1.00 0.00 N ATOM 974 CA ALA A 62 -12.111 8.498 -2.506 1.00 0.00 C ATOM 975 C ALA A 62 -12.021 9.173 -3.870 1.00 0.00 C ATOM 976 O ALA A 62 -11.861 8.508 -4.893 1.00 0.00 O ATOM 977 CB ALA A 62 -10.721 8.159 -1.989 1.00 0.00 C ATOM 0 H ALA A 62 -12.441 6.435 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.583 9.196 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.117 9.066 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.799 7.729 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.249 7.440 -2.658 1.00 0.00 H new ATOM 983 N SER A 63 -12.124 10.498 -3.877 1.00 0.00 N ATOM 984 CA SER A 63 -12.058 11.264 -5.117 1.00 0.00 C ATOM 985 C SER A 63 -10.614 11.419 -5.583 1.00 0.00 C ATOM 986 O SER A 63 -9.676 11.248 -4.804 1.00 0.00 O ATOM 987 CB SER A 63 -12.695 12.641 -4.925 1.00 0.00 C ATOM 988 OG SER A 63 -13.085 13.201 -6.167 1.00 0.00 O ATOM 0 H SER A 63 -12.253 11.064 -3.038 1.00 0.00 H new ATOM 0 HA SER A 63 -12.612 10.719 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.564 12.555 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.988 13.306 -4.429 1.00 0.00 H new ATOM 0 HG SER A 63 -13.491 14.080 -6.016 1.00 0.00 H new ATOM 994 N SER A 64 -10.443 11.745 -6.860 1.00 0.00 N ATOM 995 CA SER A 64 -9.113 11.920 -7.433 1.00 0.00 C ATOM 996 C SER A 64 -8.288 12.898 -6.603 1.00 0.00 C ATOM 997 O SER A 64 -7.176 12.584 -6.180 1.00 0.00 O ATOM 998 CB SER A 64 -9.218 12.420 -8.875 1.00 0.00 C ATOM 999 OG SER A 64 -10.204 11.699 -9.595 1.00 0.00 O ATOM 0 H SER A 64 -11.208 11.893 -7.518 1.00 0.00 H new ATOM 0 HA SER A 64 -8.612 10.952 -7.427 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.465 13.482 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.253 12.316 -9.370 1.00 0.00 H new ATOM 0 HG SER A 64 -10.253 12.039 -10.513 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.843 14.084 -6.373 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.158 15.109 -5.594 1.00 0.00 C ATOM 1007 C GLN A 65 -7.697 14.554 -4.250 1.00 0.00 C ATOM 1008 O GLN A 65 -6.804 15.110 -3.613 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.078 16.311 -5.374 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.473 17.018 -6.661 1.00 0.00 C ATOM 1011 CD GLN A 65 -8.277 17.368 -7.525 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -7.258 17.850 -7.030 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -8.396 17.125 -8.825 1.00 0.00 N ATOM 0 H GLN A 65 -9.764 14.358 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.280 15.430 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.980 15.978 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.580 17.023 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.152 16.381 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.020 17.929 -6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.259 16.724 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.624 17.339 -9.457 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.314 13.455 -3.827 1.00 0.00 N ATOM 1023 CA GLU A 66 -7.967 12.826 -2.558 1.00 0.00 C ATOM 1024 C GLU A 66 -6.809 11.848 -2.734 1.00 0.00 C ATOM 1025 O GLU A 66 -5.934 11.744 -1.874 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.180 12.098 -1.975 1.00 0.00 C ATOM 1027 CG GLU A 66 -8.990 11.655 -0.534 1.00 0.00 C ATOM 1028 CD GLU A 66 -9.401 12.721 0.463 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -9.297 13.919 0.126 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.827 12.357 1.579 1.00 0.00 O ATOM 0 H GLU A 66 -9.056 12.982 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.656 13.610 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.049 12.754 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.398 11.224 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.573 10.752 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.944 11.396 -0.372 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.812 11.133 -3.854 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.763 10.161 -4.143 1.00 0.00 C ATOM 1039 C ARG A 67 -4.498 10.858 -4.636 1.00 0.00 C ATOM 1040 O ARG A 67 -3.403 10.300 -4.565 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.245 9.155 -5.190 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.646 8.626 -4.927 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.329 8.195 -6.215 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.655 7.633 -5.969 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.469 7.223 -6.935 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -10.096 7.310 -8.204 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.661 6.723 -6.632 1.00 0.00 N ATOM 0 H ARG A 67 -7.528 11.208 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.529 9.630 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.222 9.627 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.549 8.316 -5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.594 7.781 -4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.242 9.397 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.416 9.052 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.710 7.456 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.973 7.551 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.181 7.693 -8.441 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.724 6.994 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.952 6.654 -5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.286 6.408 -7.374 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.657 12.079 -5.135 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.528 12.852 -5.638 1.00 0.00 C ATOM 1063 C ALA A 68 -2.263 12.557 -4.840 1.00 0.00 C ATOM 1064 O ALA A 68 -1.248 12.116 -5.380 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.847 14.339 -5.597 1.00 0.00 C ATOM 0 H ALA A 68 -5.557 12.555 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.350 12.559 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.995 14.904 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.721 14.541 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.054 14.639 -4.570 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.321 12.807 -3.524 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.187 12.576 -2.624 1.00 0.00 C ATOM 1073 C PRO A 69 -0.894 11.092 -2.429 1.00 0.00 C ATOM 1074 O PRO A 69 0.243 10.648 -2.586 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.645 13.208 -1.307 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.133 13.164 -1.364 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.498 13.333 -2.813 1.00 0.00 C ATOM 0 HA PRO A 69 -0.262 12.999 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.265 12.654 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.282 14.231 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.510 12.219 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.570 13.956 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.402 12.779 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.684 14.378 -3.061 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.927 10.330 -2.086 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.780 8.896 -1.868 1.00 0.00 C ATOM 1087 C TYR A 70 -1.275 8.202 -3.130 1.00 0.00 C ATOM 1088 O TYR A 70 -0.818 7.060 -3.084 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.114 8.285 -1.436 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.718 8.949 -0.219 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.055 8.942 1.002 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.953 9.583 -0.290 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.603 9.546 2.116 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.508 10.191 0.819 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.829 10.170 2.020 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.380 10.774 3.127 1.00 0.00 O ATOM 0 H TYR A 70 -2.875 10.682 -1.953 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.047 8.748 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.820 8.352 -2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.968 7.225 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.094 8.455 1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.488 9.600 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.074 9.530 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.468 10.680 0.747 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.245 11.167 2.888 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.360 8.902 -4.257 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.911 8.356 -5.531 1.00 0.00 C ATOM 1108 C VAL A 71 0.586 8.571 -5.725 1.00 0.00 C ATOM 1109 O VAL A 71 1.285 7.703 -6.246 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.667 8.993 -6.713 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.117 8.483 -8.036 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.158 8.714 -6.603 1.00 0.00 C ATOM 0 H VAL A 71 -1.736 9.849 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.122 7.287 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.519 10.072 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.663 8.944 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.060 8.739 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.233 7.400 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.677 9.171 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.328 7.637 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.539 9.133 -5.672 1.00 0.00 H new ATOM 1122 N GLN A 72 1.071 9.734 -5.300 1.00 0.00 N ATOM 1123 CA GLN A 72 2.485 10.063 -5.426 1.00 0.00 C ATOM 1124 C GLN A 72 3.286 9.478 -4.268 1.00 0.00 C ATOM 1125 O GLN A 72 4.348 8.887 -4.468 1.00 0.00 O ATOM 1126 CB GLN A 72 2.675 11.580 -5.478 1.00 0.00 C ATOM 1127 CG GLN A 72 4.113 12.021 -5.261 1.00 0.00 C ATOM 1128 CD GLN A 72 4.997 11.742 -6.460 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.353 12.652 -7.209 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.357 10.478 -6.650 1.00 0.00 N ATOM 0 H GLN A 72 0.505 10.463 -4.866 1.00 0.00 H new ATOM 0 HA GLN A 72 2.852 9.626 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.333 11.948 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.043 12.043 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.132 13.088 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.518 11.508 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.039 9.755 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.951 10.230 -7.441 1.00 0.00 H new ATOM 1139 N LYS A 73 2.772 9.647 -3.054 1.00 0.00 N ATOM 1140 CA LYS A 73 3.438 9.135 -1.862 1.00 0.00 C ATOM 1141 C LYS A 73 3.829 7.672 -2.043 1.00 0.00 C ATOM 1142 O LYS A 73 4.935 7.267 -1.685 1.00 0.00 O ATOM 1143 CB LYS A 73 2.527 9.283 -0.641 1.00 0.00 C ATOM 1144 CG LYS A 73 3.248 9.091 0.682 1.00 0.00 C ATOM 1145 CD LYS A 73 2.457 9.680 1.838 1.00 0.00 C ATOM 1146 CE LYS A 73 2.980 9.188 3.179 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.183 9.949 3.618 1.00 0.00 N ATOM 0 H LYS A 73 1.895 10.135 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 73 4.345 9.718 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.071 10.273 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.717 8.557 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.413 8.028 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.230 9.562 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.513 10.768 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.406 9.411 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.197 9.282 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.227 8.129 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.509 9.584 4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.940 9.839 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.941 10.956 3.712 1.00 0.00 H new ATOM 1161 N ALA A 74 2.916 6.885 -2.603 1.00 0.00 N ATOM 1162 CA ALA A 74 3.168 5.468 -2.834 1.00 0.00 C ATOM 1163 C ALA A 74 4.426 5.264 -3.672 1.00 0.00 C ATOM 1164 O ALA A 74 5.253 4.404 -3.367 1.00 0.00 O ATOM 1165 CB ALA A 74 1.969 4.823 -3.513 1.00 0.00 C ATOM 0 H ALA A 74 1.996 7.205 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 74 3.325 4.990 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.171 3.765 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.090 4.929 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.786 5.312 -4.470 1.00 0.00 H new ATOM 1171 N ARG A 75 4.563 6.058 -4.728 1.00 0.00 N ATOM 1172 CA ARG A 75 5.720 5.963 -5.611 1.00 0.00 C ATOM 1173 C ARG A 75 6.997 6.364 -4.879 1.00 0.00 C ATOM 1174 O ARG A 75 7.997 5.647 -4.916 1.00 0.00 O ATOM 1175 CB ARG A 75 5.524 6.851 -6.841 1.00 0.00 C ATOM 1176 CG ARG A 75 4.286 6.504 -7.652 1.00 0.00 C ATOM 1177 CD ARG A 75 3.755 7.715 -8.403 1.00 0.00 C ATOM 1178 NE ARG A 75 4.502 7.967 -9.633 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.273 7.331 -10.776 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.323 6.409 -10.846 1.00 0.00 N ATOM 1181 NH2 ARG A 75 4.995 7.616 -11.852 1.00 0.00 N ATOM 0 H ARG A 75 3.887 6.775 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 75 5.816 4.926 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.459 7.891 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.402 6.769 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.524 5.711 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.512 6.117 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.703 7.560 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.809 8.593 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 75 5.240 8.670 -9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.766 6.187 -10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.149 5.922 -11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.727 8.324 -11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.818 7.127 -12.729 1.00 0.00 H new ATOM 1195 N ASP A 76 6.956 7.513 -4.214 1.00 0.00 N ATOM 1196 CA ASP A 76 8.109 8.010 -3.473 1.00 0.00 C ATOM 1197 C ASP A 76 8.523 7.022 -2.387 1.00 0.00 C ATOM 1198 O ASP A 76 9.709 6.864 -2.097 1.00 0.00 O ATOM 1199 CB ASP A 76 7.794 9.370 -2.849 1.00 0.00 C ATOM 1200 CG ASP A 76 9.036 10.216 -2.647 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.107 9.640 -2.364 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.936 11.454 -2.774 1.00 0.00 O ATOM 0 H ASP A 76 6.136 8.118 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 76 8.938 8.123 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.093 9.906 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.300 9.220 -1.889 1.00 0.00 H new ATOM 1207 N ASN A 77 7.538 6.360 -1.789 1.00 0.00 N ATOM 1208 CA ASN A 77 7.800 5.388 -0.733 1.00 0.00 C ATOM 1209 C ASN A 77 8.741 4.292 -1.224 1.00 0.00 C ATOM 1210 O ASN A 77 9.610 3.829 -0.486 1.00 0.00 O ATOM 1211 CB ASN A 77 6.489 4.769 -0.244 1.00 0.00 C ATOM 1212 CG ASN A 77 5.849 5.576 0.869 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.442 6.525 1.383 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.632 5.203 1.245 1.00 0.00 N ATOM 0 H ASN A 77 6.551 6.479 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 77 8.279 5.909 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.793 4.691 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.678 3.755 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.150 5.709 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.179 4.410 0.791 1.00 0.00 H new ATOM 1221 N ARG A 78 8.561 3.883 -2.476 1.00 0.00 N ATOM 1222 CA ARG A 78 9.393 2.841 -3.066 1.00 0.00 C ATOM 1223 C ARG A 78 10.854 3.277 -3.118 1.00 0.00 C ATOM 1224 O ARG A 78 11.762 2.456 -2.988 1.00 0.00 O ATOM 1225 CB ARG A 78 8.900 2.501 -4.474 1.00 0.00 C ATOM 1226 CG ARG A 78 7.526 1.852 -4.498 1.00 0.00 C ATOM 1227 CD ARG A 78 7.113 1.474 -5.912 1.00 0.00 C ATOM 1228 NE ARG A 78 6.790 2.647 -6.720 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.699 3.362 -7.373 1.00 0.00 C ATOM 1230 NH1 ARG A 78 8.980 3.026 -7.314 1.00 0.00 N ATOM 1231 NH2 ARG A 78 7.327 4.416 -8.088 1.00 0.00 N ATOM 0 H ARG A 78 7.847 4.257 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 78 9.319 1.953 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.872 3.413 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.617 1.832 -4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.532 0.962 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.792 2.537 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.920 0.917 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.248 0.812 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 78 5.813 2.933 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.270 2.216 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.676 3.577 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.342 4.678 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.026 4.965 -8.589 1.00 0.00 H new ATOM 1245 N ALA A 79 11.073 4.573 -3.311 1.00 0.00 N ATOM 1246 CA ALA A 79 12.423 5.118 -3.379 1.00 0.00 C ATOM 1247 C ALA A 79 13.109 5.058 -2.019 1.00 0.00 C ATOM 1248 O ALA A 79 14.261 4.639 -1.913 1.00 0.00 O ATOM 1249 CB ALA A 79 12.389 6.551 -3.892 1.00 0.00 C ATOM 0 H ALA A 79 10.333 5.265 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 79 12.999 4.508 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.404 6.945 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.947 6.570 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.791 7.165 -3.218 1.00 0.00 H new ATOM 1255 N ALA A 80 12.394 5.479 -0.981 1.00 0.00 N ATOM 1256 CA ALA A 80 12.934 5.471 0.373 1.00 0.00 C ATOM 1257 C ALA A 80 13.492 4.098 0.733 1.00 0.00 C ATOM 1258 O ALA A 80 14.556 3.989 1.343 1.00 0.00 O ATOM 1259 CB ALA A 80 11.863 5.886 1.371 1.00 0.00 C ATOM 0 H ALA A 80 11.439 5.830 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 80 13.752 6.190 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.280 5.876 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.514 6.891 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.026 5.189 1.318 1.00 0.00 H new ATOM 1265 N LEU A 81 12.766 3.052 0.353 1.00 0.00 N ATOM 1266 CA LEU A 81 13.189 1.685 0.637 1.00 0.00 C ATOM 1267 C LEU A 81 14.630 1.456 0.192 1.00 0.00 C ATOM 1268 O LEU A 81 15.489 1.097 0.998 1.00 0.00 O ATOM 1269 CB LEU A 81 12.263 0.688 -0.063 1.00 0.00 C ATOM 1270 CG LEU A 81 10.769 0.841 0.227 1.00 0.00 C ATOM 1271 CD1 LEU A 81 9.956 -0.098 -0.650 1.00 0.00 C ATOM 1272 CD2 LEU A 81 10.483 0.581 1.699 1.00 0.00 C ATOM 0 H LEU A 81 11.883 3.124 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 81 13.132 1.530 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.415 0.776 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.566 -0.320 0.221 1.00 0.00 H new ATOM 0 HG LEU A 81 10.476 1.865 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.896 0.025 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.138 0.135 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.251 -1.128 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.415 0.694 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.792 -0.432 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.037 1.295 2.309 1.00 0.00 H new ATOM 1284 N ARG A 82 14.887 1.669 -1.094 1.00 0.00 N ATOM 1285 CA ARG A 82 16.225 1.487 -1.646 1.00 0.00 C ATOM 1286 C ARG A 82 17.272 2.168 -0.768 1.00 0.00 C ATOM 1287 O ARG A 82 18.419 1.725 -0.697 1.00 0.00 O ATOM 1288 CB ARG A 82 16.294 2.047 -3.068 1.00 0.00 C ATOM 1289 CG ARG A 82 15.942 1.029 -4.140 1.00 0.00 C ATOM 1290 CD ARG A 82 14.575 0.410 -3.895 1.00 0.00 C ATOM 1291 NE ARG A 82 14.382 -0.815 -4.666 1.00 0.00 N ATOM 1292 CZ ARG A 82 14.254 -0.838 -5.988 1.00 0.00 C ATOM 1293 NH1 ARG A 82 14.299 0.291 -6.682 1.00 0.00 N ATOM 1294 NH2 ARG A 82 14.081 -1.992 -6.619 1.00 0.00 N ATOM 0 H ARG A 82 14.187 1.968 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 82 16.438 0.418 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.616 2.896 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.300 2.424 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.954 1.510 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.699 0.245 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.461 0.192 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.799 1.129 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 82 14.343 -1.701 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.432 1.180 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.200 0.270 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.046 -2.863 -6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.983 -2.008 -7.634 1.00 0.00 H new ATOM 1308 N ILE A 83 16.869 3.245 -0.103 1.00 0.00 N ATOM 1309 CA ILE A 83 17.772 3.985 0.769 1.00 0.00 C ATOM 1310 C ILE A 83 18.234 3.125 1.940 1.00 0.00 C ATOM 1311 O ILE A 83 19.430 3.002 2.199 1.00 0.00 O ATOM 1312 CB ILE A 83 17.105 5.262 1.316 1.00 0.00 C ATOM 1313 CG1 ILE A 83 16.336 5.979 0.204 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.150 6.185 1.926 1.00 0.00 C ATOM 1315 CD1 ILE A 83 17.163 6.227 -1.038 1.00 0.00 C ATOM 0 H ILE A 83 15.923 3.624 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 83 18.635 4.265 0.165 1.00 0.00 H new ATOM 0 HB ILE A 83 16.398 4.980 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 83 15.462 5.385 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 83 15.969 6.933 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 83 17.664 7.083 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 83 18.657 5.671 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.879 6.463 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.555 6.738 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.023 6.847 -0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 83 17.508 5.275 -1.442 1.00 0.00 H new ATOM 1327 N ASN A 84 17.276 2.529 2.644 1.00 0.00 N ATOM 1328 CA ASN A 84 17.585 1.678 3.787 1.00 0.00 C ATOM 1329 C ASN A 84 17.627 0.210 3.377 1.00 0.00 C ATOM 1330 O ASN A 84 16.589 -0.415 3.157 1.00 0.00 O ATOM 1331 CB ASN A 84 16.549 1.881 4.894 1.00 0.00 C ATOM 1332 CG ASN A 84 16.425 3.333 5.312 1.00 0.00 C ATOM 1333 OD1 ASN A 84 15.779 4.133 4.634 1.00 0.00 O ATOM 1334 ND2 ASN A 84 17.045 3.681 6.434 1.00 0.00 N ATOM 0 H ASN A 84 16.280 2.620 2.443 1.00 0.00 H new ATOM 0 HA ASN A 84 18.569 1.959 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.579 1.521 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.824 1.279 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 84 16.997 4.644 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.569 2.985 6.964 1.00 0.00 H new ATOM 1341 N LYS A 85 18.834 -0.337 3.275 1.00 0.00 N ATOM 1342 CA LYS A 85 19.013 -1.732 2.893 1.00 0.00 C ATOM 1343 C LYS A 85 18.640 -2.663 4.042 1.00 0.00 C ATOM 1344 O LYS A 85 19.366 -2.766 5.031 1.00 0.00 O ATOM 1345 CB LYS A 85 20.461 -1.984 2.468 1.00 0.00 C ATOM 1346 CG LYS A 85 20.844 -1.291 1.171 1.00 0.00 C ATOM 1347 CD LYS A 85 22.350 -1.276 0.970 1.00 0.00 C ATOM 1348 CE LYS A 85 23.023 -0.257 1.877 1.00 0.00 C ATOM 1349 NZ LYS A 85 22.566 1.130 1.587 1.00 0.00 N ATOM 0 H LYS A 85 19.704 0.166 3.452 1.00 0.00 H new ATOM 0 HA LYS A 85 18.352 -1.940 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.128 -1.646 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.617 -3.057 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.369 -1.799 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.467 -0.268 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.755 -2.268 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.577 -1.044 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.809 -0.500 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.104 -0.317 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.268 1.809 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.458 1.252 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.652 1.299 2.053 1.00 0.00 H new ATOM 1363 N VAL A 86 17.505 -3.341 3.905 1.00 0.00 N ATOM 1364 CA VAL A 86 17.038 -4.266 4.931 1.00 0.00 C ATOM 1365 C VAL A 86 17.285 -5.713 4.520 1.00 0.00 C ATOM 1366 O VAL A 86 16.456 -6.588 4.767 1.00 0.00 O ATOM 1367 CB VAL A 86 15.536 -4.074 5.217 1.00 0.00 C ATOM 1368 CG1 VAL A 86 15.262 -2.661 5.709 1.00 0.00 C ATOM 1369 CG2 VAL A 86 14.714 -4.384 3.975 1.00 0.00 C ATOM 0 H VAL A 86 16.892 -3.267 3.093 1.00 0.00 H new ATOM 0 HA VAL A 86 17.604 -4.047 5.836 1.00 0.00 H new ATOM 0 HB VAL A 86 15.242 -4.770 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.196 -2.544 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.822 -2.480 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.571 -1.944 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.656 -4.243 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.009 -3.715 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.888 -5.417 3.672 1.00 0.00 H new ATOM 1379 N GLN A 87 18.431 -5.956 3.892 1.00 0.00 N ATOM 1380 CA GLN A 87 18.787 -7.298 3.447 1.00 0.00 C ATOM 1381 C GLN A 87 20.270 -7.381 3.099 1.00 0.00 C ATOM 1382 O GLN A 87 20.881 -6.388 2.707 1.00 0.00 O ATOM 1383 CB GLN A 87 17.944 -7.697 2.234 1.00 0.00 C ATOM 1384 CG GLN A 87 17.762 -9.199 2.087 1.00 0.00 C ATOM 1385 CD GLN A 87 17.148 -9.585 0.756 1.00 0.00 C ATOM 1386 OE1 GLN A 87 16.653 -8.733 0.017 1.00 0.00 O ATOM 1387 NE2 GLN A 87 17.175 -10.875 0.443 1.00 0.00 N ATOM 0 H GLN A 87 19.128 -5.242 3.680 1.00 0.00 H new ATOM 0 HA GLN A 87 18.585 -7.990 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.964 -7.227 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 87 18.414 -7.306 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 87 18.729 -9.690 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.128 -9.565 2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.595 -11.547 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 87 16.775 -11.194 -0.440 1.00 0.00 H new ATOM 1396 N MET A 88 20.842 -8.571 3.247 1.00 0.00 N ATOM 1397 CA MET A 88 22.253 -8.783 2.947 1.00 0.00 C ATOM 1398 C MET A 88 22.478 -8.903 1.444 1.00 0.00 C ATOM 1399 O MET A 88 23.076 -9.870 0.971 1.00 0.00 O ATOM 1400 CB MET A 88 22.763 -10.041 3.653 1.00 0.00 C ATOM 1401 CG MET A 88 22.914 -9.875 5.157 1.00 0.00 C ATOM 1402 SD MET A 88 24.280 -8.786 5.602 1.00 0.00 S ATOM 1403 CE MET A 88 24.984 -9.675 6.989 1.00 0.00 C ATOM 0 H MET A 88 20.350 -9.403 3.573 1.00 0.00 H new ATOM 0 HA MET A 88 22.809 -7.919 3.311 1.00 0.00 H new ATOM 0 HB2 MET A 88 22.076 -10.863 3.454 1.00 0.00 H new ATOM 0 HB3 MET A 88 23.727 -10.321 3.228 1.00 0.00 H new ATOM 0 HG2 MET A 88 21.987 -9.476 5.569 1.00 0.00 H new ATOM 0 HG3 MET A 88 23.071 -10.853 5.613 1.00 0.00 H new ATOM 0 HE1 MET A 88 25.842 -9.125 7.376 1.00 0.00 H new ATOM 0 HE2 MET A 88 24.235 -9.777 7.774 1.00 0.00 H new ATOM 0 HE3 MET A 88 25.304 -10.664 6.662 1.00 0.00 H new ATOM 1413 N SER A 89 21.995 -7.916 0.696 1.00 0.00 N ATOM 1414 CA SER A 89 22.139 -7.914 -0.755 1.00 0.00 C ATOM 1415 C SER A 89 22.026 -6.498 -1.310 1.00 0.00 C ATOM 1416 O SER A 89 21.091 -5.766 -0.988 1.00 0.00 O ATOM 1417 CB SER A 89 21.079 -8.812 -1.395 1.00 0.00 C ATOM 1418 OG SER A 89 19.808 -8.185 -1.387 1.00 0.00 O ATOM 0 H SER A 89 21.500 -7.107 1.071 1.00 0.00 H new ATOM 0 HA SER A 89 23.128 -8.302 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.366 -9.046 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.025 -9.758 -0.856 1.00 0.00 H new ATOM 0 HG SER A 89 19.148 -8.778 -1.803 1.00 0.00 H new ATOM 1424 N ASN A 90 22.986 -6.118 -2.147 1.00 0.00 N ATOM 1425 CA ASN A 90 22.995 -4.789 -2.747 1.00 0.00 C ATOM 1426 C ASN A 90 21.908 -4.665 -3.810 1.00 0.00 C ATOM 1427 O ASN A 90 22.051 -5.177 -4.920 1.00 0.00 O ATOM 1428 CB ASN A 90 24.364 -4.495 -3.365 1.00 0.00 C ATOM 1429 CG ASN A 90 24.289 -3.460 -4.470 1.00 0.00 C ATOM 1430 OD1 ASN A 90 23.412 -2.596 -4.469 1.00 0.00 O ATOM 1431 ND2 ASN A 90 25.212 -3.543 -5.422 1.00 0.00 N ATOM 0 H ASN A 90 23.768 -6.712 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 90 22.795 -4.061 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 90 25.043 -4.144 -2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 90 24.786 -5.418 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 90 25.212 -2.874 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 90 25.921 -4.276 -5.383 1.00 0.00 H new TER 1438 ASN A 90