USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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 46 SER OG : rot 101:sc= -0.455 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 35:sc= 1.19 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -2.83! C(o=-6.2!,f=-2.8!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -115:sc= 0.00829 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc=-0.000526 USER MOD Single : A 65 SER OG : rot -71:sc= 1.15 USER MOD Single : A 68 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.69) USER MOD Single : A 69 TYR OH : rot 155:sc= 0.768 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000282) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= 0.508 (180deg=0.135) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.888 K(o=-0.89,f=-1.8) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= -0.232 (180deg=-1.43!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.49! C(o=-8.1!,f=-2.5!) USER MOD Single : A 105 GLN : amide:sc= -0.0102 K(o=-0.01,f=-2.4!) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS :FLIP no HD1:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 161:sc= -0.0502 (180deg=-0.317) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -20.807 18.337 2.789 1.00 0.00 N ATOM 2 CA GLY A 30 -19.998 19.048 1.816 1.00 0.00 C ATOM 3 C GLY A 30 -18.822 19.763 2.451 1.00 0.00 C ATOM 4 O GLY A 30 -18.904 20.212 3.594 1.00 0.00 O ATOM 0 HA2 GLY A 30 -19.631 18.344 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -20.620 19.773 1.291 1.00 0.00 H new ATOM 8 N SER A 31 -17.724 19.869 1.709 1.00 0.00 N ATOM 9 CA SER A 31 -16.524 20.530 2.209 1.00 0.00 C ATOM 10 C SER A 31 -15.558 20.837 1.069 1.00 0.00 C ATOM 11 O SER A 31 -15.259 19.973 0.244 1.00 0.00 O ATOM 12 CB SER A 31 -15.833 19.655 3.256 1.00 0.00 C ATOM 13 OG SER A 31 -16.407 19.844 4.538 1.00 0.00 O ATOM 0 H SER A 31 -17.641 19.506 0.760 1.00 0.00 H new ATOM 0 HA SER A 31 -16.823 21.470 2.672 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.914 18.607 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.770 19.895 3.291 1.00 0.00 H new ATOM 0 HG SER A 31 -17.369 20.006 4.445 1.00 0.00 H new ATOM 19 N SER A 32 -15.074 22.074 1.029 1.00 0.00 N ATOM 20 CA SER A 32 -14.145 22.498 -0.012 1.00 0.00 C ATOM 21 C SER A 32 -12.890 21.631 -0.006 1.00 0.00 C ATOM 22 O SER A 32 -12.450 21.150 -1.049 1.00 0.00 O ATOM 23 CB SER A 32 -13.764 23.967 0.182 1.00 0.00 C ATOM 24 OG SER A 32 -13.168 24.176 1.451 1.00 0.00 O ATOM 0 H SER A 32 -15.310 22.800 1.705 1.00 0.00 H new ATOM 0 HA SER A 32 -14.641 22.383 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.073 24.273 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.652 24.592 0.086 1.00 0.00 H new ATOM 0 HG SER A 32 -12.932 25.122 1.550 1.00 0.00 H new ATOM 30 N GLY A 33 -12.319 21.435 1.178 1.00 0.00 N ATOM 31 CA GLY A 33 -11.120 20.626 1.299 1.00 0.00 C ATOM 32 C GLY A 33 -9.875 21.363 0.846 1.00 0.00 C ATOM 33 O GLY A 33 -9.943 22.235 -0.021 1.00 0.00 O ATOM 0 H GLY A 33 -12.665 21.822 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.998 20.316 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.237 19.718 0.707 1.00 0.00 H new ATOM 37 N SER A 34 -8.735 21.013 1.433 1.00 0.00 N ATOM 38 CA SER A 34 -7.470 21.651 1.088 1.00 0.00 C ATOM 39 C SER A 34 -7.018 21.240 -0.310 1.00 0.00 C ATOM 40 O SER A 34 -6.969 20.054 -0.635 1.00 0.00 O ATOM 41 CB SER A 34 -6.395 21.286 2.112 1.00 0.00 C ATOM 42 OG SER A 34 -6.608 21.962 3.339 1.00 0.00 O ATOM 0 H SER A 34 -8.661 20.291 2.150 1.00 0.00 H new ATOM 0 HA SER A 34 -7.621 22.730 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.400 20.209 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.411 21.542 1.718 1.00 0.00 H new ATOM 0 HG SER A 34 -5.908 21.710 3.977 1.00 0.00 H new ATOM 48 N SER A 35 -6.688 22.230 -1.133 1.00 0.00 N ATOM 49 CA SER A 35 -6.243 21.973 -2.498 1.00 0.00 C ATOM 50 C SER A 35 -4.742 22.213 -2.634 1.00 0.00 C ATOM 51 O SER A 35 -4.311 23.252 -3.131 1.00 0.00 O ATOM 52 CB SER A 35 -7.005 22.864 -3.481 1.00 0.00 C ATOM 53 OG SER A 35 -8.191 22.231 -3.929 1.00 0.00 O ATOM 0 H SER A 35 -6.720 23.217 -0.879 1.00 0.00 H new ATOM 0 HA SER A 35 -6.449 20.928 -2.731 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.253 23.811 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.368 23.097 -4.335 1.00 0.00 H new ATOM 0 HG SER A 35 -8.661 22.821 -4.555 1.00 0.00 H new ATOM 59 N GLY A 36 -3.951 21.242 -2.188 1.00 0.00 N ATOM 60 CA GLY A 36 -2.507 21.365 -2.269 1.00 0.00 C ATOM 61 C GLY A 36 -1.790 20.373 -1.375 1.00 0.00 C ATOM 62 O GLY A 36 -0.768 20.698 -0.771 1.00 0.00 O ATOM 0 H GLY A 36 -4.284 20.372 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.190 21.215 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.215 22.378 -1.990 1.00 0.00 H new ATOM 66 N SER A 37 -2.327 19.160 -1.289 1.00 0.00 N ATOM 67 CA SER A 37 -1.734 18.119 -0.458 1.00 0.00 C ATOM 68 C SER A 37 -1.928 16.744 -1.089 1.00 0.00 C ATOM 69 O SER A 37 -3.040 16.370 -1.460 1.00 0.00 O ATOM 70 CB SER A 37 -2.351 18.142 0.942 1.00 0.00 C ATOM 71 OG SER A 37 -1.723 17.197 1.792 1.00 0.00 O ATOM 0 H SER A 37 -3.171 18.874 -1.785 1.00 0.00 H new ATOM 0 HA SER A 37 -0.665 18.316 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.255 19.140 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.417 17.925 0.877 1.00 0.00 H new ATOM 0 HG SER A 37 -2.134 17.233 2.681 1.00 0.00 H new ATOM 77 N GLY A 38 -0.836 15.995 -1.207 1.00 0.00 N ATOM 78 CA GLY A 38 -0.906 14.669 -1.794 1.00 0.00 C ATOM 79 C GLY A 38 -0.633 13.573 -0.784 1.00 0.00 C ATOM 80 O GLY A 38 -0.133 12.505 -1.137 1.00 0.00 O ATOM 0 H GLY A 38 0.096 16.282 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.894 14.520 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.185 14.597 -2.608 1.00 0.00 H new ATOM 84 N ARG A 39 -0.961 13.837 0.477 1.00 0.00 N ATOM 85 CA ARG A 39 -0.745 12.865 1.542 1.00 0.00 C ATOM 86 C ARG A 39 -1.870 11.834 1.574 1.00 0.00 C ATOM 87 O ARG A 39 -3.050 12.187 1.572 1.00 0.00 O ATOM 88 CB ARG A 39 -0.649 13.573 2.895 1.00 0.00 C ATOM 89 CG ARG A 39 -0.033 12.715 3.988 1.00 0.00 C ATOM 90 CD ARG A 39 0.220 13.521 5.252 1.00 0.00 C ATOM 91 NE ARG A 39 0.680 12.681 6.355 1.00 0.00 N ATOM 92 CZ ARG A 39 0.764 13.100 7.613 1.00 0.00 C ATOM 93 NH1 ARG A 39 0.420 14.341 7.926 1.00 0.00 N ATOM 94 NH2 ARG A 39 1.191 12.275 8.560 1.00 0.00 N ATOM 0 H ARG A 39 -1.377 14.716 0.786 1.00 0.00 H new ATOM 0 HA ARG A 39 0.193 12.347 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.056 14.480 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.647 13.882 3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.696 11.880 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.905 12.289 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.964 14.291 5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.697 14.033 5.545 1.00 0.00 H new ATOM 0 HE ARG A 39 0.952 11.720 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.090 14.977 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.485 14.660 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.455 11.319 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.255 12.597 9.526 1.00 0.00 H new ATOM 108 N LEU A 40 -1.497 10.560 1.602 1.00 0.00 N ATOM 109 CA LEU A 40 -2.474 9.477 1.633 1.00 0.00 C ATOM 110 C LEU A 40 -2.007 8.349 2.547 1.00 0.00 C ATOM 111 O LEU A 40 -0.864 7.898 2.461 1.00 0.00 O ATOM 112 CB LEU A 40 -2.713 8.939 0.221 1.00 0.00 C ATOM 113 CG LEU A 40 -3.236 9.947 -0.802 1.00 0.00 C ATOM 114 CD1 LEU A 40 -3.150 9.374 -2.208 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.667 10.347 -0.473 1.00 0.00 C ATOM 0 H LEU A 40 -0.525 10.251 1.604 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.409 9.875 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.776 8.526 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.422 8.114 0.284 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.611 10.839 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.527 10.106 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.112 9.139 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.750 8.466 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.023 11.065 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.305 9.463 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.700 10.800 0.518 1.00 0.00 H new ATOM 127 N PHE A 41 -2.899 7.896 3.422 1.00 0.00 N ATOM 128 CA PHE A 41 -2.579 6.819 4.352 1.00 0.00 C ATOM 129 C PHE A 41 -2.813 5.456 3.707 1.00 0.00 C ATOM 130 O PHE A 41 -3.903 5.170 3.212 1.00 0.00 O ATOM 131 CB PHE A 41 -3.422 6.946 5.622 1.00 0.00 C ATOM 132 CG PHE A 41 -3.235 5.807 6.583 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.965 5.353 6.900 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.329 5.190 7.169 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.789 4.305 7.784 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.159 4.142 8.053 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.888 3.698 8.361 1.00 0.00 C ATOM 0 H PHE A 41 -3.849 8.258 3.507 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.524 6.901 4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.169 7.880 6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.474 7.008 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.103 5.823 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.326 5.532 6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.794 3.961 8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.020 3.670 8.503 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.753 2.878 9.051 1.00 0.00 H new ATOM 147 N VAL A 42 -1.781 4.618 3.717 1.00 0.00 N ATOM 148 CA VAL A 42 -1.873 3.285 3.135 1.00 0.00 C ATOM 149 C VAL A 42 -1.540 2.211 4.164 1.00 0.00 C ATOM 150 O VAL A 42 -0.639 2.382 4.986 1.00 0.00 O ATOM 151 CB VAL A 42 -0.929 3.134 1.927 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.210 1.833 1.189 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.065 4.327 0.993 1.00 0.00 C ATOM 0 H VAL A 42 -0.871 4.839 4.122 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.902 3.156 2.801 1.00 0.00 H new ATOM 0 HB VAL A 42 0.098 3.102 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.534 1.744 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.057 0.991 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.241 1.831 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.391 4.204 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.092 4.393 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.809 5.240 1.530 1.00 0.00 H new ATOM 163 N ARG A 43 -2.272 1.103 4.114 1.00 0.00 N ATOM 164 CA ARG A 43 -2.055 0.000 5.042 1.00 0.00 C ATOM 165 C ARG A 43 -2.126 -1.342 4.320 1.00 0.00 C ATOM 166 O ARG A 43 -2.511 -1.410 3.153 1.00 0.00 O ATOM 167 CB ARG A 43 -3.091 0.042 6.167 1.00 0.00 C ATOM 168 CG ARG A 43 -4.501 -0.290 5.709 1.00 0.00 C ATOM 169 CD ARG A 43 -5.521 -0.019 6.804 1.00 0.00 C ATOM 170 NE ARG A 43 -6.828 0.340 6.259 1.00 0.00 N ATOM 171 CZ ARG A 43 -7.842 0.768 7.003 1.00 0.00 C ATOM 172 NH1 ARG A 43 -7.701 0.889 8.315 1.00 0.00 N ATOM 173 NH2 ARG A 43 -9.000 1.075 6.433 1.00 0.00 N ATOM 0 H ARG A 43 -3.021 0.945 3.440 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.058 0.109 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.797 -0.660 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.088 1.036 6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.747 0.301 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.552 -1.338 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.621 -0.904 7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.161 0.787 7.443 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.970 0.258 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.812 0.653 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.481 1.218 8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.112 0.982 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.778 1.404 7.004 1.00 0.00 H new ATOM 187 N ASN A 44 -1.752 -2.406 5.021 1.00 0.00 N ATOM 188 CA ASN A 44 -1.773 -3.747 4.446 1.00 0.00 C ATOM 189 C ASN A 44 -0.615 -3.938 3.472 1.00 0.00 C ATOM 190 O ASN A 44 -0.817 -4.309 2.315 1.00 0.00 O ATOM 191 CB ASN A 44 -3.102 -3.997 3.731 1.00 0.00 C ATOM 192 CG ASN A 44 -3.511 -5.457 3.765 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.211 -6.180 2.692 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -4.089 -5.929 4.744 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.431 -2.367 5.988 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.664 -4.466 5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.881 -3.393 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.021 -3.669 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.299 -5.336 5.547 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.357 -6.913 4.752 1.00 0.00 H new ATOM 201 N LEU A 45 0.600 -3.684 3.948 1.00 0.00 N ATOM 202 CA LEU A 45 1.792 -3.829 3.120 1.00 0.00 C ATOM 203 C LEU A 45 2.439 -5.194 3.331 1.00 0.00 C ATOM 204 O LEU A 45 2.877 -5.520 4.434 1.00 0.00 O ATOM 205 CB LEU A 45 2.796 -2.721 3.439 1.00 0.00 C ATOM 206 CG LEU A 45 2.654 -1.432 2.628 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.917 -1.697 1.154 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.271 -0.828 2.825 1.00 0.00 C ATOM 0 H LEU A 45 0.785 -3.377 4.903 1.00 0.00 H new ATOM 0 HA LEU A 45 1.491 -3.748 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.709 -2.473 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.801 -3.114 3.286 1.00 0.00 H new ATOM 0 HG LEU A 45 3.395 -0.717 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.811 -0.769 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.928 -2.084 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.200 -2.429 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.188 0.088 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.513 -1.539 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.120 -0.600 3.880 1.00 0.00 H new ATOM 220 N SER A 46 2.497 -5.987 2.266 1.00 0.00 N ATOM 221 CA SER A 46 3.089 -7.318 2.336 1.00 0.00 C ATOM 222 C SER A 46 4.532 -7.245 2.826 1.00 0.00 C ATOM 223 O SER A 46 5.340 -6.478 2.302 1.00 0.00 O ATOM 224 CB SER A 46 3.038 -7.994 0.964 1.00 0.00 C ATOM 225 OG SER A 46 3.716 -7.221 -0.011 1.00 0.00 O ATOM 0 H SER A 46 2.142 -5.731 1.345 1.00 0.00 H new ATOM 0 HA SER A 46 2.512 -7.909 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.490 -8.984 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.000 -8.135 0.663 1.00 0.00 H new ATOM 0 HG SER A 46 4.605 -7.601 -0.170 1.00 0.00 H new ATOM 231 N TYR A 47 4.849 -8.049 3.835 1.00 0.00 N ATOM 232 CA TYR A 47 6.193 -8.075 4.399 1.00 0.00 C ATOM 233 C TYR A 47 7.221 -8.456 3.338 1.00 0.00 C ATOM 234 O TYR A 47 8.427 -8.308 3.543 1.00 0.00 O ATOM 235 CB TYR A 47 6.259 -9.061 5.567 1.00 0.00 C ATOM 236 CG TYR A 47 4.972 -9.155 6.354 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.522 -8.087 7.120 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.204 -10.313 6.330 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.346 -8.170 7.840 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.026 -10.404 7.046 1.00 0.00 C ATOM 241 CZ TYR A 47 2.602 -9.330 7.800 1.00 0.00 C ATOM 242 OH TYR A 47 1.429 -9.416 8.515 1.00 0.00 O ATOM 0 H TYR A 47 4.193 -8.692 4.279 1.00 0.00 H new ATOM 0 HA TYR A 47 6.427 -7.075 4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.513 -10.049 5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.064 -8.763 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.101 -7.176 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.534 -11.156 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.011 -7.331 8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.441 -11.311 7.015 1.00 0.00 H new ATOM 0 HH TYR A 47 1.026 -10.299 8.378 1.00 0.00 H new ATOM 252 N THR A 48 6.736 -8.948 2.203 1.00 0.00 N ATOM 253 CA THR A 48 7.611 -9.352 1.109 1.00 0.00 C ATOM 254 C THR A 48 7.884 -8.186 0.165 1.00 0.00 C ATOM 255 O THR A 48 8.605 -8.331 -0.822 1.00 0.00 O ATOM 256 CB THR A 48 7.004 -10.517 0.305 1.00 0.00 C ATOM 257 OG1 THR A 48 5.969 -10.031 -0.557 1.00 0.00 O ATOM 258 CG2 THR A 48 6.440 -11.580 1.235 1.00 0.00 C ATOM 0 H THR A 48 5.741 -9.077 2.017 1.00 0.00 H new ATOM 0 HA THR A 48 8.548 -9.680 1.558 1.00 0.00 H new ATOM 0 HB THR A 48 7.795 -10.966 -0.296 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.590 -10.778 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.017 -12.393 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.237 -11.969 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.661 -11.141 1.859 1.00 0.00 H new ATOM 266 N SER A 49 7.305 -7.031 0.475 1.00 0.00 N ATOM 267 CA SER A 49 7.484 -5.840 -0.348 1.00 0.00 C ATOM 268 C SER A 49 8.636 -4.987 0.175 1.00 0.00 C ATOM 269 O SER A 49 8.762 -4.765 1.379 1.00 0.00 O ATOM 270 CB SER A 49 6.195 -5.016 -0.376 1.00 0.00 C ATOM 271 OG SER A 49 6.300 -3.938 -1.290 1.00 0.00 O ATOM 0 H SER A 49 6.708 -6.894 1.290 1.00 0.00 H new ATOM 0 HA SER A 49 7.724 -6.161 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.357 -5.655 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.983 -4.632 0.622 1.00 0.00 H new ATOM 0 HG SER A 49 5.463 -3.427 -1.291 1.00 0.00 H new ATOM 277 N SER A 50 9.474 -4.511 -0.741 1.00 0.00 N ATOM 278 CA SER A 50 10.618 -3.685 -0.374 1.00 0.00 C ATOM 279 C SER A 50 10.336 -2.212 -0.652 1.00 0.00 C ATOM 280 O SER A 50 9.733 -1.866 -1.667 1.00 0.00 O ATOM 281 CB SER A 50 11.863 -4.132 -1.142 1.00 0.00 C ATOM 282 OG SER A 50 12.084 -5.524 -0.990 1.00 0.00 O ATOM 0 H SER A 50 9.382 -4.683 -1.742 1.00 0.00 H new ATOM 0 HA SER A 50 10.796 -3.807 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.748 -3.892 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.733 -3.581 -0.783 1.00 0.00 H new ATOM 0 HG SER A 50 12.884 -5.785 -1.492 1.00 0.00 H new ATOM 288 N GLU A 51 10.778 -1.349 0.258 1.00 0.00 N ATOM 289 CA GLU A 51 10.572 0.087 0.111 1.00 0.00 C ATOM 290 C GLU A 51 10.700 0.508 -1.351 1.00 0.00 C ATOM 291 O GLU A 51 10.020 1.428 -1.803 1.00 0.00 O ATOM 292 CB GLU A 51 11.580 0.859 0.965 1.00 0.00 C ATOM 293 CG GLU A 51 11.299 2.350 1.039 1.00 0.00 C ATOM 294 CD GLU A 51 12.398 3.116 1.749 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.403 3.458 1.091 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.254 3.374 2.962 1.00 0.00 O ATOM 0 H GLU A 51 11.280 -1.619 1.104 1.00 0.00 H new ATOM 0 HA GLU A 51 9.563 0.320 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.579 0.447 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.580 0.706 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.180 2.744 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.354 2.513 1.558 1.00 0.00 H new ATOM 303 N GLU A 52 11.578 -0.172 -2.082 1.00 0.00 N ATOM 304 CA GLU A 52 11.796 0.132 -3.491 1.00 0.00 C ATOM 305 C GLU A 52 10.555 -0.196 -4.317 1.00 0.00 C ATOM 306 O GLU A 52 10.076 0.631 -5.093 1.00 0.00 O ATOM 307 CB GLU A 52 12.998 -0.649 -4.024 1.00 0.00 C ATOM 308 CG GLU A 52 13.152 -0.574 -5.534 1.00 0.00 C ATOM 309 CD GLU A 52 14.306 -1.414 -6.046 1.00 0.00 C ATOM 310 OE1 GLU A 52 15.261 -1.643 -5.273 1.00 0.00 O ATOM 311 OE2 GLU A 52 14.255 -1.843 -7.217 1.00 0.00 O ATOM 0 H GLU A 52 12.149 -0.936 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 52 11.998 1.200 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.905 -0.268 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.902 -1.694 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.228 -0.907 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.305 0.464 -5.829 1.00 0.00 H new ATOM 318 N ASP A 53 10.041 -1.409 -4.144 1.00 0.00 N ATOM 319 CA ASP A 53 8.856 -1.847 -4.873 1.00 0.00 C ATOM 320 C ASP A 53 7.739 -0.815 -4.765 1.00 0.00 C ATOM 321 O ASP A 53 7.180 -0.381 -5.773 1.00 0.00 O ATOM 322 CB ASP A 53 8.374 -3.197 -4.339 1.00 0.00 C ATOM 323 CG ASP A 53 9.177 -4.358 -4.890 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.384 -4.174 -5.152 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.599 -5.452 -5.059 1.00 0.00 O ATOM 0 H ASP A 53 10.426 -2.106 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 53 9.125 -1.955 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.439 -3.198 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.323 -3.332 -4.596 1.00 0.00 H new ATOM 330 N LEU A 54 7.417 -0.425 -3.536 1.00 0.00 N ATOM 331 CA LEU A 54 6.365 0.556 -3.296 1.00 0.00 C ATOM 332 C LEU A 54 6.626 1.838 -4.080 1.00 0.00 C ATOM 333 O LEU A 54 5.739 2.351 -4.761 1.00 0.00 O ATOM 334 CB LEU A 54 6.265 0.870 -1.802 1.00 0.00 C ATOM 335 CG LEU A 54 5.521 -0.157 -0.948 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.772 0.095 0.530 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.030 -0.123 -1.252 1.00 0.00 C ATOM 0 H LEU A 54 7.870 -0.773 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 54 5.421 0.130 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.275 0.979 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.771 1.835 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 54 5.899 -1.149 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.234 -0.646 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.840 0.019 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.422 1.093 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.516 -0.860 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.637 0.870 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.868 -0.354 -2.305 1.00 0.00 H new ATOM 349 N GLU A 55 7.850 2.348 -3.981 1.00 0.00 N ATOM 350 CA GLU A 55 8.227 3.569 -4.683 1.00 0.00 C ATOM 351 C GLU A 55 7.766 3.525 -6.137 1.00 0.00 C ATOM 352 O GLU A 55 7.073 4.428 -6.607 1.00 0.00 O ATOM 353 CB GLU A 55 9.743 3.769 -4.623 1.00 0.00 C ATOM 354 CG GLU A 55 10.229 4.345 -3.304 1.00 0.00 C ATOM 355 CD GLU A 55 11.718 4.633 -3.307 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.468 3.875 -3.956 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.133 5.617 -2.659 1.00 0.00 O ATOM 0 H GLU A 55 8.596 1.935 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 55 7.736 4.408 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.234 2.811 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.046 4.432 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.685 5.265 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.999 3.646 -2.500 1.00 0.00 H new ATOM 364 N LYS A 56 8.155 2.470 -6.844 1.00 0.00 N ATOM 365 CA LYS A 56 7.782 2.306 -8.244 1.00 0.00 C ATOM 366 C LYS A 56 6.270 2.168 -8.391 1.00 0.00 C ATOM 367 O LYS A 56 5.660 2.799 -9.255 1.00 0.00 O ATOM 368 CB LYS A 56 8.478 1.080 -8.838 1.00 0.00 C ATOM 369 CG LYS A 56 9.945 1.308 -9.158 1.00 0.00 C ATOM 370 CD LYS A 56 10.610 0.038 -9.661 1.00 0.00 C ATOM 371 CE LYS A 56 10.987 -0.886 -8.514 1.00 0.00 C ATOM 372 NZ LYS A 56 11.491 -2.200 -9.002 1.00 0.00 N ATOM 0 H LYS A 56 8.729 1.715 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 56 8.102 3.195 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.393 0.249 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.958 0.783 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.037 2.091 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.462 1.662 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.936 -0.482 -10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.503 0.295 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.751 -0.409 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.118 -1.045 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.835 -2.953 -8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.560 -2.182 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.431 -2.384 -8.596 1.00 0.00 H new ATOM 386 N LEU A 57 5.671 1.340 -7.542 1.00 0.00 N ATOM 387 CA LEU A 57 4.229 1.120 -7.577 1.00 0.00 C ATOM 388 C LEU A 57 3.478 2.444 -7.670 1.00 0.00 C ATOM 389 O LEU A 57 2.814 2.725 -8.668 1.00 0.00 O ATOM 390 CB LEU A 57 3.781 0.351 -6.333 1.00 0.00 C ATOM 391 CG LEU A 57 2.272 0.287 -6.092 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.599 -0.579 -7.145 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.978 -0.242 -4.695 1.00 0.00 C ATOM 0 H LEU A 57 6.161 0.810 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 57 3.997 0.530 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.161 -0.668 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.249 0.806 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 57 1.867 1.296 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.526 -0.613 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.781 -0.157 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.007 -1.589 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.900 -0.281 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.396 -1.243 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.427 0.419 -3.954 1.00 0.00 H new ATOM 405 N PHE A 58 3.589 3.255 -6.623 1.00 0.00 N ATOM 406 CA PHE A 58 2.922 4.551 -6.586 1.00 0.00 C ATOM 407 C PHE A 58 3.526 5.504 -7.614 1.00 0.00 C ATOM 408 O PHE A 58 2.806 6.205 -8.325 1.00 0.00 O ATOM 409 CB PHE A 58 3.023 5.162 -5.187 1.00 0.00 C ATOM 410 CG PHE A 58 2.267 4.393 -4.141 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.886 4.477 -4.065 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.936 3.587 -3.235 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.187 3.772 -3.104 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.243 2.879 -2.272 1.00 0.00 C ATOM 415 CZ PHE A 58 0.866 2.971 -2.206 1.00 0.00 C ATOM 0 H PHE A 58 4.135 3.037 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 58 1.871 4.397 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.073 5.217 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.647 6.185 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.350 5.101 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.012 3.511 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.889 3.847 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.777 2.254 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.322 2.418 -1.454 1.00 0.00 H new ATOM 425 N SER A 59 4.853 5.523 -7.686 1.00 0.00 N ATOM 426 CA SER A 59 5.555 6.392 -8.623 1.00 0.00 C ATOM 427 C SER A 59 4.933 6.308 -10.013 1.00 0.00 C ATOM 428 O SER A 59 4.932 7.282 -10.765 1.00 0.00 O ATOM 429 CB SER A 59 7.036 6.013 -8.691 1.00 0.00 C ATOM 430 OG SER A 59 7.689 6.696 -9.746 1.00 0.00 O ATOM 0 H SER A 59 5.463 4.947 -7.107 1.00 0.00 H new ATOM 0 HA SER A 59 5.465 7.418 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.520 6.253 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.133 4.937 -8.835 1.00 0.00 H new ATOM 0 HG SER A 59 8.634 6.438 -9.767 1.00 0.00 H new ATOM 436 N ALA A 60 4.404 5.135 -10.347 1.00 0.00 N ATOM 437 CA ALA A 60 3.776 4.923 -11.646 1.00 0.00 C ATOM 438 C ALA A 60 2.660 5.933 -11.888 1.00 0.00 C ATOM 439 O ALA A 60 2.497 6.438 -12.999 1.00 0.00 O ATOM 440 CB ALA A 60 3.236 3.504 -11.745 1.00 0.00 C ATOM 0 H ALA A 60 4.398 4.318 -9.737 1.00 0.00 H new ATOM 0 HA ALA A 60 4.534 5.067 -12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.770 3.359 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.054 2.794 -11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.496 3.341 -10.961 1.00 0.00 H new ATOM 446 N TYR A 61 1.895 6.225 -10.842 1.00 0.00 N ATOM 447 CA TYR A 61 0.792 7.173 -10.943 1.00 0.00 C ATOM 448 C TYR A 61 1.311 8.607 -11.008 1.00 0.00 C ATOM 449 O TYR A 61 0.843 9.412 -11.812 1.00 0.00 O ATOM 450 CB TYR A 61 -0.154 7.016 -9.751 1.00 0.00 C ATOM 451 CG TYR A 61 -0.903 5.703 -9.742 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.031 5.519 -10.533 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.485 4.646 -8.942 1.00 0.00 C ATOM 454 CE1 TYR A 61 -2.719 4.321 -10.528 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.166 3.445 -8.932 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.283 3.287 -9.727 1.00 0.00 C ATOM 457 OH TYR A 61 -2.965 2.092 -9.718 1.00 0.00 O ATOM 0 H TYR A 61 2.019 5.819 -9.915 1.00 0.00 H new ATOM 0 HA TYR A 61 0.246 6.960 -11.862 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.420 7.104 -8.828 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.873 7.835 -9.758 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.375 6.326 -11.162 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.388 4.766 -8.317 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.594 4.195 -11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.826 2.634 -8.305 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.526 1.470 -9.101 1.00 0.00 H new ATOM 467 N GLY A 62 2.283 8.917 -10.156 1.00 0.00 N ATOM 468 CA GLY A 62 2.850 10.253 -10.133 1.00 0.00 C ATOM 469 C GLY A 62 4.162 10.312 -9.376 1.00 0.00 C ATOM 470 O GLY A 62 4.558 9.361 -8.702 1.00 0.00 O ATOM 0 H GLY A 62 2.688 8.268 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.008 10.595 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.138 10.939 -9.674 1.00 0.00 H new ATOM 474 N PRO A 63 4.862 11.451 -9.485 1.00 0.00 N ATOM 475 CA PRO A 63 6.148 11.658 -8.813 1.00 0.00 C ATOM 476 C PRO A 63 5.999 11.778 -7.300 1.00 0.00 C ATOM 477 O PRO A 63 5.421 12.743 -6.798 1.00 0.00 O ATOM 478 CB PRO A 63 6.651 12.976 -9.408 1.00 0.00 C ATOM 479 CG PRO A 63 5.418 13.692 -9.838 1.00 0.00 C ATOM 480 CD PRO A 63 4.450 12.626 -10.271 1.00 0.00 C ATOM 0 HA PRO A 63 6.827 10.819 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.209 13.555 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.321 12.800 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.006 14.285 -9.021 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.632 14.381 -10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.419 12.910 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.515 12.436 -11.342 1.00 0.00 H new ATOM 488 N LEU A 64 6.525 10.795 -6.579 1.00 0.00 N ATOM 489 CA LEU A 64 6.451 10.791 -5.122 1.00 0.00 C ATOM 490 C LEU A 64 7.377 11.847 -4.527 1.00 0.00 C ATOM 491 O LEU A 64 8.521 11.998 -4.957 1.00 0.00 O ATOM 492 CB LEU A 64 6.818 9.410 -4.576 1.00 0.00 C ATOM 493 CG LEU A 64 6.110 8.221 -5.228 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.641 6.911 -4.669 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.605 8.319 -5.024 1.00 0.00 C ATOM 0 H LEU A 64 7.007 9.990 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 64 5.427 11.028 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.894 9.272 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.602 9.395 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 64 6.314 8.244 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.125 6.077 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.710 6.838 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.469 6.878 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.118 7.465 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.382 8.322 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.236 9.241 -5.474 1.00 0.00 H new ATOM 507 N SER A 65 6.876 12.575 -3.534 1.00 0.00 N ATOM 508 CA SER A 65 7.657 13.618 -2.880 1.00 0.00 C ATOM 509 C SER A 65 8.346 13.078 -1.631 1.00 0.00 C ATOM 510 O SER A 65 9.483 13.441 -1.330 1.00 0.00 O ATOM 511 CB SER A 65 6.760 14.801 -2.511 1.00 0.00 C ATOM 512 OG SER A 65 5.816 14.435 -1.520 1.00 0.00 O ATOM 0 H SER A 65 5.932 12.461 -3.165 1.00 0.00 H new ATOM 0 HA SER A 65 8.423 13.956 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.372 15.626 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.239 15.158 -3.400 1.00 0.00 H new ATOM 0 HG SER A 65 5.146 13.836 -1.911 1.00 0.00 H new ATOM 518 N GLU A 66 7.649 12.209 -0.906 1.00 0.00 N ATOM 519 CA GLU A 66 8.193 11.619 0.311 1.00 0.00 C ATOM 520 C GLU A 66 7.546 10.267 0.597 1.00 0.00 C ATOM 521 O GLU A 66 6.338 10.095 0.429 1.00 0.00 O ATOM 522 CB GLU A 66 7.979 12.560 1.499 1.00 0.00 C ATOM 523 CG GLU A 66 7.932 11.847 2.840 1.00 0.00 C ATOM 524 CD GLU A 66 8.419 12.718 3.982 1.00 0.00 C ATOM 525 OE1 GLU A 66 9.615 13.076 3.988 1.00 0.00 O ATOM 526 OE2 GLU A 66 7.602 13.042 4.869 1.00 0.00 O ATOM 0 H GLU A 66 6.706 11.898 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 66 9.262 11.467 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.782 13.297 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.047 13.107 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.909 11.528 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.543 10.946 2.790 1.00 0.00 H new ATOM 533 N LEU A 67 8.359 9.309 1.030 1.00 0.00 N ATOM 534 CA LEU A 67 7.868 7.971 1.339 1.00 0.00 C ATOM 535 C LEU A 67 8.246 7.567 2.760 1.00 0.00 C ATOM 536 O LEU A 67 9.345 7.865 3.230 1.00 0.00 O ATOM 537 CB LEU A 67 8.431 6.957 0.341 1.00 0.00 C ATOM 538 CG LEU A 67 7.821 5.555 0.393 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.487 5.526 -0.336 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.779 4.535 -0.203 1.00 0.00 C ATOM 0 H LEU A 67 9.361 9.434 1.175 1.00 0.00 H new ATOM 0 HA LEU A 67 6.781 7.983 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.295 7.354 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.505 6.871 0.508 1.00 0.00 H new ATOM 0 HG LEU A 67 7.647 5.294 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.068 4.521 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.799 6.228 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.636 5.808 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.329 3.543 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.985 4.793 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.711 4.537 0.363 1.00 0.00 H new ATOM 552 N HIS A 68 7.330 6.885 3.440 1.00 0.00 N ATOM 553 CA HIS A 68 7.568 6.437 4.807 1.00 0.00 C ATOM 554 C HIS A 68 7.334 4.935 4.936 1.00 0.00 C ATOM 555 O HIS A 68 6.192 4.475 4.963 1.00 0.00 O ATOM 556 CB HIS A 68 6.660 7.192 5.779 1.00 0.00 C ATOM 557 CG HIS A 68 6.583 6.564 7.137 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.669 5.993 7.765 1.00 0.00 N ATOM 559 CD2 HIS A 68 5.540 6.420 7.987 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.298 5.524 8.943 1.00 0.00 C ATOM 561 NE2 HIS A 68 6.010 5.771 9.102 1.00 0.00 N ATOM 0 H HIS A 68 6.416 6.631 3.066 1.00 0.00 H new ATOM 0 HA HIS A 68 8.608 6.647 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.022 8.215 5.881 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.657 7.249 5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.527 6.753 7.820 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.938 5.024 9.655 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.455 5.520 9.920 1.00 0.00 H new ATOM 570 N TYR A 69 8.422 4.177 5.014 1.00 0.00 N ATOM 571 CA TYR A 69 8.334 2.726 5.136 1.00 0.00 C ATOM 572 C TYR A 69 8.975 2.250 6.436 1.00 0.00 C ATOM 573 O TYR A 69 10.181 2.013 6.513 1.00 0.00 O ATOM 574 CB TYR A 69 9.012 2.051 3.943 1.00 0.00 C ATOM 575 CG TYR A 69 8.479 0.668 3.646 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.112 0.426 3.591 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.342 -0.398 3.422 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.620 -0.837 3.321 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.860 -1.663 3.150 1.00 0.00 C ATOM 580 CZ TYR A 69 7.498 -1.878 3.101 1.00 0.00 C ATOM 581 OH TYR A 69 7.013 -3.137 2.832 1.00 0.00 O ATOM 0 H TYR A 69 9.374 4.542 4.995 1.00 0.00 H new ATOM 0 HA TYR A 69 7.279 2.451 5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.884 2.678 3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.083 1.985 4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.422 1.239 3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.409 -0.234 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.554 -1.008 3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.545 -2.480 2.977 1.00 0.00 H new ATOM 0 HH TYR A 69 7.680 -3.642 2.322 1.00 0.00 H new ATOM 591 N PRO A 70 8.150 2.104 7.483 1.00 0.00 N ATOM 592 CA PRO A 70 8.612 1.653 8.799 1.00 0.00 C ATOM 593 C PRO A 70 9.026 0.186 8.797 1.00 0.00 C ATOM 594 O PRO A 70 8.342 -0.661 8.221 1.00 0.00 O ATOM 595 CB PRO A 70 7.389 1.862 9.695 1.00 0.00 C ATOM 596 CG PRO A 70 6.224 1.796 8.768 1.00 0.00 C ATOM 597 CD PRO A 70 6.701 2.368 7.462 1.00 0.00 C ATOM 0 HA PRO A 70 9.497 2.197 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.326 1.093 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.433 2.823 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.883 0.768 8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.381 2.366 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.217 1.887 6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.488 3.434 7.389 1.00 0.00 H new ATOM 605 N ILE A 71 10.148 -0.109 9.444 1.00 0.00 N ATOM 606 CA ILE A 71 10.652 -1.474 9.517 1.00 0.00 C ATOM 607 C ILE A 71 11.243 -1.769 10.891 1.00 0.00 C ATOM 608 O ILE A 71 12.128 -1.055 11.364 1.00 0.00 O ATOM 609 CB ILE A 71 11.722 -1.738 8.442 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.204 -1.327 7.063 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.127 -3.205 8.446 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.077 -2.200 6.556 1.00 0.00 C ATOM 0 H ILE A 71 10.726 0.580 9.926 1.00 0.00 H new ATOM 0 HA ILE A 71 9.802 -2.134 9.341 1.00 0.00 H new ATOM 0 HB ILE A 71 12.602 -1.138 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.861 -0.293 7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.028 -1.360 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.884 -3.376 7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.533 -3.468 9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.254 -3.824 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.760 -1.850 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.421 -3.231 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.237 -2.148 7.248 1.00 0.00 H new ATOM 624 N ASP A 72 10.751 -2.827 11.527 1.00 0.00 N ATOM 625 CA ASP A 72 11.233 -3.219 12.846 1.00 0.00 C ATOM 626 C ASP A 72 12.738 -3.466 12.824 1.00 0.00 C ATOM 627 O ASP A 72 13.260 -4.094 11.903 1.00 0.00 O ATOM 628 CB ASP A 72 10.504 -4.475 13.326 1.00 0.00 C ATOM 629 CG ASP A 72 9.224 -4.153 14.072 1.00 0.00 C ATOM 630 OD1 ASP A 72 9.298 -3.444 15.097 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.149 -4.610 13.631 1.00 0.00 O ATOM 0 H ASP A 72 10.018 -3.428 11.150 1.00 0.00 H new ATOM 0 HA ASP A 72 11.028 -2.402 13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.272 -5.107 12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.165 -5.049 13.975 1.00 0.00 H new ATOM 636 N SER A 73 13.430 -2.966 13.843 1.00 0.00 N ATOM 637 CA SER A 73 14.876 -3.128 13.937 1.00 0.00 C ATOM 638 C SER A 73 15.233 -4.498 14.507 1.00 0.00 C ATOM 639 O SER A 73 16.408 -4.829 14.667 1.00 0.00 O ATOM 640 CB SER A 73 15.477 -2.027 14.812 1.00 0.00 C ATOM 641 OG SER A 73 15.142 -0.742 14.318 1.00 0.00 O ATOM 0 H SER A 73 13.013 -2.446 14.615 1.00 0.00 H new ATOM 0 HA SER A 73 15.292 -3.052 12.932 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.115 -2.133 15.835 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.561 -2.136 14.845 1.00 0.00 H new ATOM 0 HG SER A 73 15.537 -0.056 14.896 1.00 0.00 H new ATOM 647 N LEU A 74 14.210 -5.290 14.810 1.00 0.00 N ATOM 648 CA LEU A 74 14.414 -6.625 15.362 1.00 0.00 C ATOM 649 C LEU A 74 14.119 -7.697 14.318 1.00 0.00 C ATOM 650 O LEU A 74 14.961 -8.549 14.031 1.00 0.00 O ATOM 651 CB LEU A 74 13.524 -6.833 16.588 1.00 0.00 C ATOM 652 CG LEU A 74 13.756 -5.873 17.756 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.635 -5.994 18.777 1.00 0.00 C ATOM 654 CD2 LEU A 74 15.104 -6.142 18.408 1.00 0.00 C ATOM 0 H LEU A 74 13.232 -5.031 14.683 1.00 0.00 H new ATOM 0 HA LEU A 74 15.459 -6.712 15.660 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.483 -6.748 16.275 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.667 -7.852 16.947 1.00 0.00 H new ATOM 0 HG LEU A 74 13.759 -4.854 17.369 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.817 -5.304 19.601 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.684 -5.751 18.303 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.600 -7.014 19.160 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.252 -5.450 19.237 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.130 -7.166 18.781 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.897 -6.004 17.674 1.00 0.00 H new ATOM 666 N THR A 75 12.918 -7.648 13.750 1.00 0.00 N ATOM 667 CA THR A 75 12.511 -8.613 12.736 1.00 0.00 C ATOM 668 C THR A 75 12.929 -8.157 11.343 1.00 0.00 C ATOM 669 O THR A 75 12.880 -8.928 10.385 1.00 0.00 O ATOM 670 CB THR A 75 10.988 -8.839 12.755 1.00 0.00 C ATOM 671 OG1 THR A 75 10.326 -7.771 12.067 1.00 0.00 O ATOM 672 CG2 THR A 75 10.471 -8.927 14.183 1.00 0.00 C ATOM 0 H THR A 75 12.210 -6.950 13.975 1.00 0.00 H new ATOM 0 HA THR A 75 13.013 -9.551 12.973 1.00 0.00 H new ATOM 0 HB THR A 75 10.777 -9.782 12.251 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.358 -7.923 12.082 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.393 -9.087 14.170 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.955 -9.759 14.695 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.694 -7.999 14.709 1.00 0.00 H new ATOM 680 N LYS A 76 13.342 -6.898 11.237 1.00 0.00 N ATOM 681 CA LYS A 76 13.771 -6.338 9.961 1.00 0.00 C ATOM 682 C LYS A 76 12.639 -6.382 8.939 1.00 0.00 C ATOM 683 O LYS A 76 12.876 -6.527 7.740 1.00 0.00 O ATOM 684 CB LYS A 76 14.984 -7.104 9.427 1.00 0.00 C ATOM 685 CG LYS A 76 16.183 -7.070 10.359 1.00 0.00 C ATOM 686 CD LYS A 76 15.917 -7.848 11.637 1.00 0.00 C ATOM 687 CE LYS A 76 17.201 -8.420 12.219 1.00 0.00 C ATOM 688 NZ LYS A 76 18.147 -7.348 12.634 1.00 0.00 N ATOM 0 H LYS A 76 13.389 -6.246 12.020 1.00 0.00 H new ATOM 0 HA LYS A 76 14.049 -5.297 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.700 -8.142 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.272 -6.685 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.052 -7.489 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.425 -6.036 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.443 -7.195 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.217 -8.658 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.963 -9.047 13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.681 -9.062 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.002 -7.778 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.408 -6.775 11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.693 -6.741 13.346 1.00 0.00 H new ATOM 702 N LYS A 77 11.408 -6.254 9.422 1.00 0.00 N ATOM 703 CA LYS A 77 10.238 -6.275 8.551 1.00 0.00 C ATOM 704 C LYS A 77 9.248 -5.183 8.942 1.00 0.00 C ATOM 705 O LYS A 77 9.159 -4.778 10.102 1.00 0.00 O ATOM 706 CB LYS A 77 9.555 -7.643 8.614 1.00 0.00 C ATOM 707 CG LYS A 77 10.390 -8.767 8.025 1.00 0.00 C ATOM 708 CD LYS A 77 9.755 -10.125 8.279 1.00 0.00 C ATOM 709 CE LYS A 77 10.791 -11.239 8.245 1.00 0.00 C ATOM 710 NZ LYS A 77 10.313 -12.461 8.949 1.00 0.00 N ATOM 0 H LYS A 77 11.194 -6.135 10.412 1.00 0.00 H new ATOM 0 HA LYS A 77 10.573 -6.089 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.326 -7.878 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.605 -7.590 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.505 -8.613 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.390 -8.745 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.257 -10.119 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.989 -10.316 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.026 -11.485 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.714 -10.891 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.047 -13.197 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.112 -12.233 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.446 -12.808 8.492 1.00 0.00 H new ATOM 724 N PRO A 78 8.485 -4.693 7.954 1.00 0.00 N ATOM 725 CA PRO A 78 7.486 -3.642 8.172 1.00 0.00 C ATOM 726 C PRO A 78 6.292 -4.136 8.982 1.00 0.00 C ATOM 727 O PRO A 78 6.119 -5.338 9.182 1.00 0.00 O ATOM 728 CB PRO A 78 7.051 -3.267 6.753 1.00 0.00 C ATOM 729 CG PRO A 78 7.323 -4.485 5.939 1.00 0.00 C ATOM 730 CD PRO A 78 8.538 -5.128 6.548 1.00 0.00 C ATOM 0 HA PRO A 78 7.891 -2.807 8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.995 -2.997 6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.611 -2.409 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.471 -5.165 5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.501 -4.225 4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.504 -6.214 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.455 -4.798 6.059 1.00 0.00 H new ATOM 738 N LYS A 79 5.471 -3.201 9.446 1.00 0.00 N ATOM 739 CA LYS A 79 4.291 -3.540 10.233 1.00 0.00 C ATOM 740 C LYS A 79 3.064 -3.686 9.339 1.00 0.00 C ATOM 741 O LYS A 79 1.964 -3.958 9.818 1.00 0.00 O ATOM 742 CB LYS A 79 4.037 -2.468 11.296 1.00 0.00 C ATOM 743 CG LYS A 79 5.138 -2.371 12.338 1.00 0.00 C ATOM 744 CD LYS A 79 6.218 -1.389 11.917 1.00 0.00 C ATOM 745 CE LYS A 79 7.537 -1.675 12.620 1.00 0.00 C ATOM 746 NZ LYS A 79 7.485 -1.313 14.064 1.00 0.00 N ATOM 0 H LYS A 79 5.601 -2.201 9.291 1.00 0.00 H new ATOM 0 HA LYS A 79 4.475 -4.495 10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.927 -1.501 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.092 -2.681 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.712 -2.058 13.291 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.580 -3.355 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.360 -1.444 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.896 -0.373 12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.781 -2.733 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.337 -1.116 12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.172 -1.889 14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.718 -0.306 14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.529 -1.491 14.432 1.00 0.00 H new ATOM 760 N GLY A 80 3.261 -3.504 8.037 1.00 0.00 N ATOM 761 CA GLY A 80 2.161 -3.621 7.097 1.00 0.00 C ATOM 762 C GLY A 80 1.433 -2.308 6.890 1.00 0.00 C ATOM 763 O GLY A 80 0.212 -2.284 6.740 1.00 0.00 O ATOM 0 H GLY A 80 4.162 -3.278 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.542 -3.977 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.457 -4.370 7.458 1.00 0.00 H new ATOM 767 N PHE A 81 2.185 -1.212 6.883 1.00 0.00 N ATOM 768 CA PHE A 81 1.603 0.113 6.695 1.00 0.00 C ATOM 769 C PHE A 81 2.675 1.128 6.312 1.00 0.00 C ATOM 770 O PHE A 81 3.847 0.967 6.651 1.00 0.00 O ATOM 771 CB PHE A 81 0.889 0.564 7.971 1.00 0.00 C ATOM 772 CG PHE A 81 1.798 1.233 8.962 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.500 0.485 9.893 1.00 0.00 C ATOM 774 CD2 PHE A 81 1.951 2.610 8.962 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.337 1.098 10.806 1.00 0.00 C ATOM 776 CE2 PHE A 81 2.786 3.229 9.873 1.00 0.00 C ATOM 777 CZ PHE A 81 3.481 2.472 10.796 1.00 0.00 C ATOM 0 H PHE A 81 3.198 -1.215 7.005 1.00 0.00 H new ATOM 0 HA PHE A 81 0.878 0.053 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.086 1.251 7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.424 -0.302 8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.392 -0.590 9.905 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.411 3.207 8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.878 0.503 11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.895 4.303 9.863 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.135 2.953 11.508 1.00 0.00 H new ATOM 787 N ALA A 82 2.264 2.175 5.603 1.00 0.00 N ATOM 788 CA ALA A 82 3.188 3.217 5.175 1.00 0.00 C ATOM 789 C ALA A 82 2.438 4.479 4.762 1.00 0.00 C ATOM 790 O ALA A 82 1.222 4.457 4.572 1.00 0.00 O ATOM 791 CB ALA A 82 4.054 2.717 4.029 1.00 0.00 C ATOM 0 H ALA A 82 1.297 2.323 5.313 1.00 0.00 H new ATOM 0 HA ALA A 82 3.831 3.467 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.739 3.506 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.625 1.848 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.419 2.438 3.188 1.00 0.00 H new ATOM 797 N PHE A 83 3.171 5.579 4.624 1.00 0.00 N ATOM 798 CA PHE A 83 2.574 6.852 4.235 1.00 0.00 C ATOM 799 C PHE A 83 3.170 7.353 2.923 1.00 0.00 C ATOM 800 O PHE A 83 4.377 7.571 2.819 1.00 0.00 O ATOM 801 CB PHE A 83 2.784 7.895 5.335 1.00 0.00 C ATOM 802 CG PHE A 83 1.728 7.861 6.402 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.740 6.875 7.376 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.723 8.815 6.432 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.769 6.841 8.359 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.250 8.786 7.413 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.227 7.798 8.378 1.00 0.00 C ATOM 0 H PHE A 83 4.179 5.615 4.776 1.00 0.00 H new ATOM 0 HA PHE A 83 1.505 6.695 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.759 7.735 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.803 8.888 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.517 6.125 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.700 9.590 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.789 6.067 9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.028 9.535 7.425 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.986 7.774 9.146 1.00 0.00 H new ATOM 817 N VAL A 84 2.314 7.533 1.922 1.00 0.00 N ATOM 818 CA VAL A 84 2.754 8.009 0.616 1.00 0.00 C ATOM 819 C VAL A 84 2.366 9.468 0.403 1.00 0.00 C ATOM 820 O VAL A 84 1.198 9.836 0.525 1.00 0.00 O ATOM 821 CB VAL A 84 2.157 7.160 -0.522 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.618 7.679 -1.875 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.532 5.696 -0.347 1.00 0.00 C ATOM 0 H VAL A 84 1.312 7.356 1.991 1.00 0.00 H new ATOM 0 HA VAL A 84 3.840 7.918 0.596 1.00 0.00 H new ATOM 0 HB VAL A 84 1.071 7.241 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.186 7.066 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.294 8.712 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.705 7.631 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.102 5.111 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.617 5.594 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.146 5.333 0.605 1.00 0.00 H new ATOM 833 N THR A 85 3.356 10.297 0.084 1.00 0.00 N ATOM 834 CA THR A 85 3.119 11.717 -0.145 1.00 0.00 C ATOM 835 C THR A 85 3.443 12.103 -1.584 1.00 0.00 C ATOM 836 O THR A 85 4.608 12.256 -1.949 1.00 0.00 O ATOM 837 CB THR A 85 3.958 12.588 0.809 1.00 0.00 C ATOM 838 OG1 THR A 85 3.832 12.104 2.151 1.00 0.00 O ATOM 839 CG2 THR A 85 3.515 14.042 0.745 1.00 0.00 C ATOM 0 H THR A 85 4.329 10.009 -0.021 1.00 0.00 H new ATOM 0 HA THR A 85 2.061 11.896 0.047 1.00 0.00 H new ATOM 0 HB THR A 85 5.001 12.529 0.498 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.369 12.662 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.122 14.638 1.427 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.639 14.416 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.466 14.116 1.033 1.00 0.00 H new ATOM 847 N PHE A 86 2.404 12.260 -2.398 1.00 0.00 N ATOM 848 CA PHE A 86 2.578 12.628 -3.798 1.00 0.00 C ATOM 849 C PHE A 86 2.927 14.107 -3.932 1.00 0.00 C ATOM 850 O PHE A 86 2.541 14.925 -3.097 1.00 0.00 O ATOM 851 CB PHE A 86 1.307 12.319 -4.591 1.00 0.00 C ATOM 852 CG PHE A 86 1.176 10.872 -4.975 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.582 9.964 -4.114 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.649 10.421 -6.197 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.460 8.633 -4.464 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.530 9.091 -6.553 1.00 0.00 C ATOM 857 CZ PHE A 86 0.936 8.196 -5.685 1.00 0.00 C ATOM 0 H PHE A 86 1.433 12.138 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 86 3.402 12.040 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.439 12.609 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.295 12.929 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.210 10.300 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.116 11.117 -6.879 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.007 7.935 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.901 8.752 -7.509 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.844 7.156 -5.960 1.00 0.00 H new ATOM 867 N MET A 87 3.661 14.443 -4.988 1.00 0.00 N ATOM 868 CA MET A 87 4.062 15.824 -5.232 1.00 0.00 C ATOM 869 C MET A 87 2.856 16.685 -5.592 1.00 0.00 C ATOM 870 O MET A 87 2.809 17.872 -5.269 1.00 0.00 O ATOM 871 CB MET A 87 5.101 15.885 -6.353 1.00 0.00 C ATOM 872 CG MET A 87 6.526 15.661 -5.875 1.00 0.00 C ATOM 873 SD MET A 87 7.753 16.069 -7.132 1.00 0.00 S ATOM 874 CE MET A 87 8.802 17.203 -6.226 1.00 0.00 C ATOM 0 H MET A 87 3.990 13.778 -5.688 1.00 0.00 H new ATOM 0 HA MET A 87 4.504 16.215 -4.316 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.857 15.134 -7.105 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.039 16.857 -6.842 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.706 16.266 -4.987 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.646 14.619 -5.580 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.611 17.545 -6.871 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.213 18.060 -5.897 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.221 16.696 -5.357 1.00 0.00 H new ATOM 884 N PHE A 88 1.882 16.079 -6.264 1.00 0.00 N ATOM 885 CA PHE A 88 0.675 16.791 -6.669 1.00 0.00 C ATOM 886 C PHE A 88 -0.573 16.091 -6.141 1.00 0.00 C ATOM 887 O PHE A 88 -0.628 14.866 -6.029 1.00 0.00 O ATOM 888 CB PHE A 88 0.608 16.897 -8.194 1.00 0.00 C ATOM 889 CG PHE A 88 1.898 17.346 -8.821 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.925 16.444 -9.044 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.082 18.669 -9.186 1.00 0.00 C ATOM 892 CE1 PHE A 88 4.113 16.853 -9.621 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.267 19.084 -9.764 1.00 0.00 C ATOM 894 CZ PHE A 88 4.284 18.175 -9.981 1.00 0.00 C ATOM 0 H PHE A 88 1.905 15.097 -6.539 1.00 0.00 H new ATOM 0 HA PHE A 88 0.715 17.794 -6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.332 15.926 -8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.182 17.596 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.796 15.409 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.291 19.385 -9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.906 16.140 -9.790 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.398 20.118 -10.046 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.211 18.498 -10.431 1.00 0.00 H new ATOM 904 N PRO A 89 -1.601 16.885 -5.809 1.00 0.00 N ATOM 905 CA PRO A 89 -2.868 16.364 -5.287 1.00 0.00 C ATOM 906 C PRO A 89 -3.666 15.612 -6.347 1.00 0.00 C ATOM 907 O PRO A 89 -4.281 14.585 -6.061 1.00 0.00 O ATOM 908 CB PRO A 89 -3.617 17.625 -4.850 1.00 0.00 C ATOM 909 CG PRO A 89 -3.048 18.715 -5.692 1.00 0.00 C ATOM 910 CD PRO A 89 -1.606 18.354 -5.917 1.00 0.00 C ATOM 0 HA PRO A 89 -2.712 15.644 -4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.691 17.522 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.469 17.826 -3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.582 18.796 -6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.135 19.680 -5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.256 18.686 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.956 18.814 -5.173 1.00 0.00 H new ATOM 918 N GLU A 90 -3.649 16.128 -7.572 1.00 0.00 N ATOM 919 CA GLU A 90 -4.371 15.503 -8.674 1.00 0.00 C ATOM 920 C GLU A 90 -3.999 14.029 -8.802 1.00 0.00 C ATOM 921 O GLU A 90 -4.861 13.176 -9.013 1.00 0.00 O ATOM 922 CB GLU A 90 -4.073 16.232 -9.986 1.00 0.00 C ATOM 923 CG GLU A 90 -2.603 16.220 -10.369 1.00 0.00 C ATOM 924 CD GLU A 90 -2.275 17.224 -11.456 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.988 18.245 -11.555 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.306 16.990 -12.208 1.00 0.00 O ATOM 0 H GLU A 90 -3.143 16.977 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.438 15.573 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.652 15.772 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.409 17.265 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.000 16.435 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.328 15.221 -10.707 1.00 0.00 H new ATOM 933 N HIS A 91 -2.709 13.737 -8.673 1.00 0.00 N ATOM 934 CA HIS A 91 -2.221 12.366 -8.774 1.00 0.00 C ATOM 935 C HIS A 91 -2.692 11.533 -7.585 1.00 0.00 C ATOM 936 O HIS A 91 -3.252 10.451 -7.756 1.00 0.00 O ATOM 937 CB HIS A 91 -0.695 12.350 -8.851 1.00 0.00 C ATOM 938 CG HIS A 91 -0.145 13.108 -10.020 1.00 0.00 C ATOM 939 ND1 HIS A 91 1.034 13.821 -9.968 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.621 13.261 -11.278 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.259 14.380 -11.144 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.270 14.056 -11.957 1.00 0.00 N ATOM 0 H HIS A 91 -1.982 14.431 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.627 11.928 -9.686 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.289 12.772 -7.932 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.353 11.316 -8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.532 12.837 -11.674 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.108 14.997 -11.397 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.182 14.348 -12.930 1.00 0.00 H new ATOM 951 N ALA A 92 -2.459 12.045 -6.381 1.00 0.00 N ATOM 952 CA ALA A 92 -2.860 11.350 -5.165 1.00 0.00 C ATOM 953 C ALA A 92 -4.259 10.759 -5.306 1.00 0.00 C ATOM 954 O ALA A 92 -4.516 9.635 -4.876 1.00 0.00 O ATOM 955 CB ALA A 92 -2.801 12.293 -3.973 1.00 0.00 C ATOM 0 H ALA A 92 -1.994 12.939 -6.222 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.162 10.529 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.103 11.760 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.783 12.663 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.475 13.133 -4.140 1.00 0.00 H new ATOM 961 N VAL A 93 -5.162 11.526 -5.910 1.00 0.00 N ATOM 962 CA VAL A 93 -6.535 11.079 -6.108 1.00 0.00 C ATOM 963 C VAL A 93 -6.585 9.818 -6.963 1.00 0.00 C ATOM 964 O VAL A 93 -7.217 8.828 -6.594 1.00 0.00 O ATOM 965 CB VAL A 93 -7.391 12.172 -6.774 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.804 11.666 -7.024 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.411 13.429 -5.917 1.00 0.00 C ATOM 0 H VAL A 93 -4.967 12.460 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.942 10.861 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.944 12.422 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.394 12.452 -7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.768 10.796 -7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.263 11.386 -6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.021 14.191 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.833 13.196 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.394 13.802 -5.794 1.00 0.00 H new ATOM 977 N LYS A 94 -5.914 9.861 -8.109 1.00 0.00 N ATOM 978 CA LYS A 94 -5.878 8.722 -9.019 1.00 0.00 C ATOM 979 C LYS A 94 -5.513 7.442 -8.274 1.00 0.00 C ATOM 980 O LYS A 94 -6.287 6.485 -8.250 1.00 0.00 O ATOM 981 CB LYS A 94 -4.873 8.973 -10.145 1.00 0.00 C ATOM 982 CG LYS A 94 -4.388 7.703 -10.822 1.00 0.00 C ATOM 983 CD LYS A 94 -5.506 7.017 -11.589 1.00 0.00 C ATOM 984 CE LYS A 94 -5.581 7.512 -13.026 1.00 0.00 C ATOM 985 NZ LYS A 94 -6.295 8.814 -13.127 1.00 0.00 N ATOM 0 H LYS A 94 -5.387 10.673 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.872 8.601 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.332 9.621 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.015 9.510 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.572 7.942 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.988 7.020 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.345 5.939 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.457 7.201 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.573 7.619 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.091 6.770 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.768 8.880 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.004 8.881 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.612 9.593 -13.031 1.00 0.00 H new ATOM 999 N ALA A 95 -4.332 7.432 -7.666 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.867 6.271 -6.918 1.00 0.00 C ATOM 1001 C ALA A 95 -4.920 5.804 -5.919 1.00 0.00 C ATOM 1002 O ALA A 95 -5.254 4.620 -5.864 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.564 6.593 -6.201 1.00 0.00 C ATOM 0 H ALA A 95 -3.679 8.216 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.690 5.461 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.228 5.717 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.806 6.872 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.724 7.421 -5.510 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.440 6.739 -5.133 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.453 6.422 -4.134 1.00 0.00 C ATOM 1011 C TYR A 96 -7.706 5.850 -4.792 1.00 0.00 C ATOM 1012 O TYR A 96 -8.536 5.225 -4.133 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.813 7.670 -3.327 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.158 7.582 -2.641 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.418 6.590 -1.704 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.169 8.490 -2.932 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.645 6.505 -1.076 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.398 8.413 -2.307 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.632 7.419 -1.380 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.856 7.338 -0.757 1.00 0.00 O ATOM 0 H TYR A 96 -5.177 7.724 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.040 5.670 -3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.042 7.841 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.809 8.535 -3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.647 5.873 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.991 9.269 -3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.831 5.727 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.172 9.128 -2.543 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.437 8.057 -1.083 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.833 6.068 -6.096 1.00 0.00 N ATOM 1031 CA ALA A 97 -8.981 5.573 -6.845 1.00 0.00 C ATOM 1032 C ALA A 97 -8.701 4.194 -7.432 1.00 0.00 C ATOM 1033 O ALA A 97 -9.621 3.414 -7.674 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.354 6.552 -7.948 1.00 0.00 C ATOM 0 H ALA A 97 -7.155 6.584 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.821 5.482 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.213 6.169 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.606 7.517 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.511 6.672 -8.628 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.424 3.901 -7.659 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.024 2.616 -8.219 1.00 0.00 C ATOM 1042 C GLU A 98 -6.518 1.679 -7.126 1.00 0.00 C ATOM 1043 O GLU A 98 -7.053 0.588 -6.931 1.00 0.00 O ATOM 1044 CB GLU A 98 -5.939 2.812 -9.280 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.432 3.518 -10.532 1.00 0.00 C ATOM 1046 CD GLU A 98 -6.994 2.557 -11.561 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -7.662 1.582 -11.159 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -6.764 2.779 -12.768 1.00 0.00 O ATOM 0 H GLU A 98 -6.650 4.536 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.900 2.164 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.120 3.387 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.534 1.839 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.200 4.241 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.610 4.079 -10.976 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.482 2.114 -6.415 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.903 1.317 -5.340 1.00 0.00 C ATOM 1057 C VAL A 99 -5.974 0.862 -4.355 1.00 0.00 C ATOM 1058 O VAL A 99 -6.086 -0.325 -4.049 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.821 2.103 -4.578 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.232 1.256 -3.460 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.733 2.573 -5.532 1.00 0.00 C ATOM 0 H VAL A 99 -5.027 3.014 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.446 0.443 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.284 2.982 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.469 1.829 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.021 0.975 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.783 0.357 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.976 3.127 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.272 1.710 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.170 3.220 -6.293 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.760 1.813 -3.863 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.824 1.510 -2.913 1.00 0.00 C ATOM 1073 C ASP A 100 -8.679 0.348 -3.408 1.00 0.00 C ATOM 1074 O ASP A 100 -9.694 0.549 -4.074 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.700 2.743 -2.686 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.830 2.479 -1.711 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.547 2.024 -0.582 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.998 2.727 -2.075 1.00 0.00 O ATOM 0 H ASP A 100 -6.680 2.800 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.363 1.222 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.083 3.559 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.115 3.070 -3.639 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.261 -0.871 -3.077 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.000 -2.047 -3.497 1.00 0.00 C ATOM 1085 C GLY A 101 -8.216 -2.907 -4.469 1.00 0.00 C ATOM 1086 O GLY A 101 -8.799 -3.595 -5.307 1.00 0.00 O ATOM 0 H GLY A 101 -7.425 -1.064 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.262 -2.640 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.935 -1.737 -3.963 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.893 -2.866 -4.360 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.029 -3.646 -5.238 1.00 0.00 C ATOM 1092 C GLN A 102 -5.196 -4.642 -4.439 1.00 0.00 C ATOM 1093 O GLN A 102 -4.866 -4.401 -3.278 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.110 -2.720 -6.037 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.929 -2.196 -5.237 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.746 -1.832 -6.112 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.228 -0.622 -5.934 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.302 -2.629 -6.939 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.395 -2.301 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.663 -4.203 -5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.738 -3.256 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.691 -1.875 -6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.240 -1.319 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.622 -2.951 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.731 -3.549 -7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.505 -2.370 -7.521 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.861 -5.764 -5.068 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.066 -6.798 -4.416 1.00 0.00 C ATOM 1109 C VAL A 103 -2.591 -6.668 -4.779 1.00 0.00 C ATOM 1110 O VAL A 103 -2.245 -6.380 -5.925 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.555 -8.207 -4.799 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.586 -9.265 -4.292 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.955 -8.451 -4.255 1.00 0.00 C ATOM 0 H VAL A 103 -5.128 -5.980 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.186 -6.659 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.595 -8.276 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.948 -10.254 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.603 -9.100 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.511 -9.200 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.285 -9.451 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.944 -8.363 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.641 -7.713 -4.671 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.724 -6.883 -3.795 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.285 -6.789 -4.010 1.00 0.00 C ATOM 1125 C PHE A 104 0.457 -7.849 -3.200 1.00 0.00 C ATOM 1126 O PHE A 104 0.517 -7.777 -1.973 1.00 0.00 O ATOM 1127 CB PHE A 104 0.220 -5.396 -3.630 1.00 0.00 C ATOM 1128 CG PHE A 104 1.609 -5.106 -4.122 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.968 -5.389 -5.430 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.556 -4.551 -3.276 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.246 -5.124 -5.886 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.835 -4.284 -3.727 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.181 -4.571 -5.033 1.00 0.00 C ATOM 0 H PHE A 104 -1.993 -7.123 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.090 -6.962 -5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.463 -4.648 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.199 -5.294 -2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.241 -5.822 -6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.292 -4.325 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.513 -5.349 -6.908 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.564 -3.851 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.180 -4.364 -5.386 1.00 0.00 H new ATOM 1143 N GLN A 105 1.018 -8.832 -3.897 1.00 0.00 N ATOM 1144 CA GLN A 105 1.754 -9.907 -3.242 1.00 0.00 C ATOM 1145 C GLN A 105 0.868 -10.644 -2.243 1.00 0.00 C ATOM 1146 O GLN A 105 1.334 -11.093 -1.197 1.00 0.00 O ATOM 1147 CB GLN A 105 2.989 -9.350 -2.532 1.00 0.00 C ATOM 1148 CG GLN A 105 3.986 -8.693 -3.473 1.00 0.00 C ATOM 1149 CD GLN A 105 4.949 -9.687 -4.090 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.553 -10.776 -4.508 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.224 -9.318 -4.151 1.00 0.00 N ATOM 0 H GLN A 105 0.977 -8.906 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 105 2.072 -10.614 -4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.671 -8.622 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.486 -10.159 -1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.445 -8.177 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.551 -7.937 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.509 -8.406 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.918 -9.946 -4.556 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.415 -10.764 -2.573 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.346 -11.447 -1.694 1.00 0.00 C ATOM 1162 C GLY A 106 -1.738 -10.603 -0.497 1.00 0.00 C ATOM 1163 O GLY A 106 -2.008 -11.132 0.581 1.00 0.00 O ATOM 0 H GLY A 106 -0.826 -10.400 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.241 -11.714 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.897 -12.378 -1.347 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.767 -9.288 -0.686 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.126 -8.370 0.388 1.00 0.00 C ATOM 1169 C ARG A 107 -2.983 -7.223 -0.141 1.00 0.00 C ATOM 1170 O ARG A 107 -2.508 -6.381 -0.903 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.866 -7.814 1.054 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.337 -8.687 2.181 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.230 -8.612 3.410 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.086 -9.788 4.263 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.662 -9.907 5.454 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.416 -8.926 5.930 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.484 -11.009 6.172 1.00 0.00 N ATOM 0 H ARG A 107 -1.546 -8.835 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.706 -8.923 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.088 -7.698 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.081 -6.820 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.270 -9.721 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.673 -8.372 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.985 -7.717 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.270 -8.516 3.097 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.512 -10.561 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.555 -8.077 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.857 -9.020 6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.904 -11.766 5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.927 -11.099 7.086 1.00 0.00 H new ATOM 1191 N MET A 108 -4.247 -7.198 0.269 1.00 0.00 N ATOM 1192 CA MET A 108 -5.169 -6.154 -0.163 1.00 0.00 C ATOM 1193 C MET A 108 -4.740 -4.793 0.375 1.00 0.00 C ATOM 1194 O MET A 108 -4.698 -4.577 1.587 1.00 0.00 O ATOM 1195 CB MET A 108 -6.590 -6.475 0.304 1.00 0.00 C ATOM 1196 CG MET A 108 -7.357 -7.373 -0.653 1.00 0.00 C ATOM 1197 SD MET A 108 -9.132 -7.057 -0.631 1.00 0.00 S ATOM 1198 CE MET A 108 -9.225 -5.577 -1.636 1.00 0.00 C ATOM 0 H MET A 108 -4.656 -7.888 0.899 1.00 0.00 H new ATOM 0 HA MET A 108 -5.152 -6.116 -1.252 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.542 -6.956 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.140 -5.543 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.978 -7.227 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.174 -8.415 -0.392 1.00 0.00 H new ATOM 0 HE1 MET A 108 -10.264 -5.256 -1.716 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.636 -4.785 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.832 -5.787 -2.631 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.421 -3.877 -0.533 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.994 -2.536 -0.150 1.00 0.00 C ATOM 1210 C LEU A 109 -5.197 -1.644 0.141 1.00 0.00 C ATOM 1211 O LEU A 109 -6.089 -1.496 -0.695 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.141 -1.915 -1.258 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.976 -2.766 -1.764 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.321 -2.112 -2.971 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.956 -2.988 -0.657 1.00 0.00 C ATOM 0 H LEU A 109 -4.450 -4.039 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.397 -2.617 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.790 -1.684 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.742 -0.968 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.367 -3.736 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.494 -2.732 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.054 -2.006 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.944 -1.128 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.134 -3.596 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.570 -2.026 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.432 -3.502 0.178 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.213 -1.050 1.330 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.305 -0.170 1.730 1.00 0.00 C ATOM 1229 C HIS A 110 -5.832 1.278 1.817 1.00 0.00 C ATOM 1230 O HIS A 110 -4.919 1.599 2.577 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.878 -0.613 3.077 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.626 -1.909 3.012 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.484 -2.973 2.188 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.664 -2.222 3.865 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.427 -3.901 2.556 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -9.126 -3.424 3.570 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.482 -1.162 2.033 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.086 -0.234 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.064 -0.708 3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.545 0.164 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.040 -1.584 4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.573 -4.865 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.892 -3.902 4.044 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.459 2.148 1.032 1.00 0.00 N ATOM 1246 CA VAL A 111 -6.102 3.562 1.020 1.00 0.00 C ATOM 1247 C VAL A 111 -7.209 4.413 1.632 1.00 0.00 C ATOM 1248 O VAL A 111 -8.390 4.221 1.337 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.820 4.058 -0.411 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -5.147 5.421 -0.381 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.967 3.049 -1.165 1.00 0.00 C ATOM 0 H VAL A 111 -7.217 1.899 0.396 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.196 3.665 1.617 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.770 4.161 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.956 5.755 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.799 6.138 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.204 5.349 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.777 3.415 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.019 2.912 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.493 2.096 -1.218 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.821 5.354 2.485 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.781 6.237 3.139 1.00 0.00 C ATOM 1263 C LEU A 112 -7.353 7.696 3.013 1.00 0.00 C ATOM 1264 O LEU A 112 -6.180 8.039 3.157 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.924 5.862 4.615 1.00 0.00 C ATOM 1266 CG LEU A 112 -9.060 6.548 5.375 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.398 5.917 5.018 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.818 6.477 6.875 1.00 0.00 C ATOM 0 H LEU A 112 -5.848 5.526 2.740 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.745 6.116 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.068 4.784 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.986 6.091 5.120 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.086 7.597 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.195 6.418 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.575 6.021 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.384 4.860 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.636 6.970 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.764 5.434 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.880 6.976 7.116 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.327 8.576 2.738 1.00 0.00 N ATOM 1281 CA PRO A 113 -8.076 10.013 2.588 1.00 0.00 C ATOM 1282 C PRO A 113 -7.713 10.679 3.911 1.00 0.00 C ATOM 1283 O PRO A 113 -8.443 10.563 4.896 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.410 10.553 2.066 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.428 9.578 2.547 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.748 8.237 2.552 1.00 0.00 C ATOM 0 HA PRO A 113 -7.232 10.213 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.609 11.554 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.411 10.622 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.779 9.841 3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.300 9.571 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.118 7.602 3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.914 7.699 1.619 1.00 0.00 H new ATOM 1294 N SER A 114 -6.582 11.376 3.927 1.00 0.00 N ATOM 1295 CA SER A 114 -6.120 12.057 5.131 1.00 0.00 C ATOM 1296 C SER A 114 -6.017 13.562 4.897 1.00 0.00 C ATOM 1297 O SER A 114 -5.360 14.013 3.959 1.00 0.00 O ATOM 1298 CB SER A 114 -4.763 11.503 5.567 1.00 0.00 C ATOM 1299 OG SER A 114 -4.920 10.400 6.443 1.00 0.00 O ATOM 0 H SER A 114 -5.968 11.484 3.120 1.00 0.00 H new ATOM 0 HA SER A 114 -6.848 11.878 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.193 11.197 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.189 12.286 6.062 1.00 0.00 H new ATOM 0 HG SER A 114 -4.038 10.063 6.706 1.00 0.00 H new ATOM 1305 N THR A 115 -6.672 14.334 5.759 1.00 0.00 N ATOM 1306 CA THR A 115 -6.656 15.787 5.647 1.00 0.00 C ATOM 1307 C THR A 115 -7.042 16.444 6.968 1.00 0.00 C ATOM 1308 O THR A 115 -7.644 15.810 7.834 1.00 0.00 O ATOM 1309 CB THR A 115 -7.614 16.276 4.544 1.00 0.00 C ATOM 1310 OG1 THR A 115 -8.782 15.448 4.507 1.00 0.00 O ATOM 1311 CG2 THR A 115 -6.929 16.259 3.186 1.00 0.00 C ATOM 0 H THR A 115 -7.220 13.977 6.542 1.00 0.00 H new ATOM 0 HA THR A 115 -5.637 16.073 5.386 1.00 0.00 H new ATOM 0 HB THR A 115 -7.904 17.301 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.387 15.766 3.805 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.625 16.608 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.058 16.914 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.613 15.243 2.951 1.00 0.00 H new ATOM 1319 N ILE A 116 -6.693 17.718 7.114 1.00 0.00 N ATOM 1320 CA ILE A 116 -7.004 18.460 8.329 1.00 0.00 C ATOM 1321 C ILE A 116 -8.437 18.981 8.302 1.00 0.00 C ATOM 1322 O ILE A 116 -8.780 19.848 7.497 1.00 0.00 O ATOM 1323 CB ILE A 116 -6.042 19.646 8.526 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -4.605 19.145 8.683 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -6.457 20.469 9.736 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -3.991 18.656 7.390 1.00 0.00 C ATOM 0 H ILE A 116 -6.195 18.257 6.406 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.887 17.766 9.162 1.00 0.00 H new ATOM 0 HB ILE A 116 -6.090 20.284 7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -3.990 19.950 9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -4.589 18.335 9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.767 21.304 9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -7.467 20.852 9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -6.435 19.842 10.627 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -2.972 18.316 7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -4.583 17.830 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -3.975 19.469 6.664 1.00 0.00 H new ATOM 1338 N LYS A 117 -9.271 18.448 9.188 1.00 0.00 N ATOM 1339 CA LYS A 117 -10.668 18.861 9.270 1.00 0.00 C ATOM 1340 C LYS A 117 -10.838 20.014 10.254 1.00 0.00 C ATOM 1341 O LYS A 117 -10.568 19.871 11.447 1.00 0.00 O ATOM 1342 CB LYS A 117 -11.545 17.681 9.694 1.00 0.00 C ATOM 1343 CG LYS A 117 -13.014 18.038 9.843 1.00 0.00 C ATOM 1344 CD LYS A 117 -13.867 16.803 10.078 1.00 0.00 C ATOM 1345 CE LYS A 117 -14.278 16.151 8.767 1.00 0.00 C ATOM 1346 NZ LYS A 117 -15.231 15.027 8.981 1.00 0.00 N ATOM 0 H LYS A 117 -9.004 17.729 9.860 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.979 19.201 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.446 16.883 8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.177 17.288 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -13.138 18.731 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -13.357 18.553 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.312 16.086 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.757 17.077 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -14.737 16.897 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.391 15.782 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.487 14.609 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.785 14.303 9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.088 15.383 9.450 1.00 0.00 H new ATOM 1360 N LYS A 118 -11.288 21.157 9.746 1.00 0.00 N ATOM 1361 CA LYS A 118 -11.497 22.334 10.580 1.00 0.00 C ATOM 1362 C LYS A 118 -12.701 23.136 10.097 1.00 0.00 C ATOM 1363 O LYS A 118 -13.004 23.160 8.904 1.00 0.00 O ATOM 1364 CB LYS A 118 -10.247 23.218 10.573 1.00 0.00 C ATOM 1365 CG LYS A 118 -10.059 24.015 11.852 1.00 0.00 C ATOM 1366 CD LYS A 118 -9.248 23.241 12.878 1.00 0.00 C ATOM 1367 CE LYS A 118 -7.768 23.234 12.528 1.00 0.00 C ATOM 1368 NZ LYS A 118 -7.162 24.589 12.654 1.00 0.00 N ATOM 0 H LYS A 118 -11.515 21.293 8.761 1.00 0.00 H new ATOM 0 HA LYS A 118 -11.691 21.997 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.370 22.591 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -10.304 23.907 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -9.557 24.956 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.033 24.266 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -9.388 23.685 13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.614 22.216 12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -7.243 22.539 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.638 22.871 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.128 24.502 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.403 25.156 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -7.531 25.056 13.507 1.00 0.00 H new ATOM 1382 N GLU A 119 -13.383 23.792 11.031 1.00 0.00 N ATOM 1383 CA GLU A 119 -14.554 24.595 10.698 1.00 0.00 C ATOM 1384 C GLU A 119 -14.594 25.871 11.533 1.00 0.00 C ATOM 1385 O GLU A 119 -13.823 26.030 12.480 1.00 0.00 O ATOM 1386 CB GLU A 119 -15.834 23.787 10.921 1.00 0.00 C ATOM 1387 CG GLU A 119 -15.992 23.277 12.343 1.00 0.00 C ATOM 1388 CD GLU A 119 -16.513 24.341 13.290 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -17.595 24.900 13.018 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -15.836 24.614 14.304 1.00 0.00 O ATOM 0 H GLU A 119 -13.145 23.783 12.023 1.00 0.00 H new ATOM 0 HA GLU A 119 -14.486 24.872 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -16.694 24.408 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.842 22.939 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -16.675 22.427 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.030 22.914 12.704 1.00 0.00 H new ATOM 1397 N ALA A 120 -15.497 26.778 11.175 1.00 0.00 N ATOM 1398 CA ALA A 120 -15.638 28.040 11.892 1.00 0.00 C ATOM 1399 C ALA A 120 -14.297 28.755 12.013 1.00 0.00 C ATOM 1400 O ALA A 120 -13.947 29.261 13.080 1.00 0.00 O ATOM 1401 CB ALA A 120 -16.237 27.800 13.269 1.00 0.00 C ATOM 0 H ALA A 120 -16.142 26.663 10.393 1.00 0.00 H new ATOM 0 HA ALA A 120 -16.311 28.680 11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -16.337 28.750 13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -17.219 27.339 13.163 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -15.585 27.138 13.839 1.00 0.00 H new ATOM 1407 N SER A 121 -13.550 28.794 10.914 1.00 0.00 N ATOM 1408 CA SER A 121 -12.245 29.444 10.900 1.00 0.00 C ATOM 1409 C SER A 121 -12.289 30.731 10.081 1.00 0.00 C ATOM 1410 O SER A 121 -12.069 30.715 8.870 1.00 0.00 O ATOM 1411 CB SER A 121 -11.187 28.498 10.329 1.00 0.00 C ATOM 1412 OG SER A 121 -10.787 27.539 11.293 1.00 0.00 O ATOM 0 H SER A 121 -13.826 28.383 10.022 1.00 0.00 H new ATOM 0 HA SER A 121 -11.980 29.696 11.927 1.00 0.00 H new ATOM 0 HB2 SER A 121 -11.585 27.991 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 121 -10.320 29.072 10.001 1.00 0.00 H new ATOM 0 HG SER A 121 -10.112 26.945 10.903 1.00 0.00 H new ATOM 1418 N GLN A 122 -12.573 31.842 10.751 1.00 0.00 N ATOM 1419 CA GLN A 122 -12.646 33.138 10.086 1.00 0.00 C ATOM 1420 C GLN A 122 -11.358 33.432 9.325 1.00 0.00 C ATOM 1421 O GLN A 122 -10.273 33.457 9.907 1.00 0.00 O ATOM 1422 CB GLN A 122 -12.914 34.245 11.107 1.00 0.00 C ATOM 1423 CG GLN A 122 -13.329 35.565 10.478 1.00 0.00 C ATOM 1424 CD GLN A 122 -13.048 36.753 11.376 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -13.151 36.660 12.599 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -12.689 37.880 10.772 1.00 0.00 N ATOM 0 H GLN A 122 -12.756 31.872 11.754 1.00 0.00 H new ATOM 0 HA GLN A 122 -13.469 33.106 9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -13.697 33.916 11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -12.016 34.403 11.704 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.800 35.695 9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -14.394 35.534 10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -12.616 37.913 9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -12.486 38.713 11.325 1.00 0.00 H new ATOM 1435 N SER A 123 -11.484 33.654 8.020 1.00 0.00 N ATOM 1436 CA SER A 123 -10.329 33.943 7.179 1.00 0.00 C ATOM 1437 C SER A 123 -10.041 35.441 7.147 1.00 0.00 C ATOM 1438 O SER A 123 -10.958 36.261 7.128 1.00 0.00 O ATOM 1439 CB SER A 123 -10.565 33.427 5.758 1.00 0.00 C ATOM 1440 OG SER A 123 -10.669 32.014 5.739 1.00 0.00 O ATOM 0 H SER A 123 -12.375 33.639 7.523 1.00 0.00 H new ATOM 0 HA SER A 123 -9.464 33.434 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 123 -11.477 33.867 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 123 -9.746 33.743 5.112 1.00 0.00 H new ATOM 0 HG SER A 123 -10.821 31.710 4.820 1.00 0.00 H new ATOM 1446 N GLY A 124 -8.758 35.790 7.141 1.00 0.00 N ATOM 1447 CA GLY A 124 -8.370 37.189 7.112 1.00 0.00 C ATOM 1448 C GLY A 124 -8.890 37.959 8.309 1.00 0.00 C ATOM 1449 O GLY A 124 -9.983 37.701 8.814 1.00 0.00 O ATOM 0 H GLY A 124 -7.981 35.130 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -7.283 37.261 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.745 37.648 6.197 1.00 0.00 H new ATOM 1453 N PRO A 125 -8.095 38.930 8.783 1.00 0.00 N ATOM 1454 CA PRO A 125 -8.460 39.760 9.935 1.00 0.00 C ATOM 1455 C PRO A 125 -9.605 40.717 9.621 1.00 0.00 C ATOM 1456 O PRO A 125 -10.367 41.100 10.508 1.00 0.00 O ATOM 1457 CB PRO A 125 -7.177 40.541 10.231 1.00 0.00 C ATOM 1458 CG PRO A 125 -6.451 40.583 8.930 1.00 0.00 C ATOM 1459 CD PRO A 125 -6.779 39.293 8.231 1.00 0.00 C ATOM 0 HA PRO A 125 -8.813 39.160 10.773 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -7.399 41.545 10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -6.582 40.049 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -6.766 41.440 8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -5.377 40.680 9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -6.819 39.421 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -6.033 38.525 8.434 1.00 0.00 H new ATOM 1467 N SER A 126 -9.720 41.098 8.353 1.00 0.00 N ATOM 1468 CA SER A 126 -10.771 42.013 7.923 1.00 0.00 C ATOM 1469 C SER A 126 -11.580 41.411 6.778 1.00 0.00 C ATOM 1470 O SER A 126 -11.061 40.631 5.979 1.00 0.00 O ATOM 1471 CB SER A 126 -10.166 43.349 7.487 1.00 0.00 C ATOM 1472 OG SER A 126 -9.364 43.193 6.329 1.00 0.00 O ATOM 0 H SER A 126 -9.099 40.788 7.606 1.00 0.00 H new ATOM 0 HA SER A 126 -11.439 42.183 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.963 44.065 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.564 43.761 8.297 1.00 0.00 H new ATOM 0 HG SER A 126 -8.991 44.061 6.070 1.00 0.00 H new ATOM 1478 N SER A 127 -12.855 41.779 6.705 1.00 0.00 N ATOM 1479 CA SER A 127 -13.739 41.273 5.661 1.00 0.00 C ATOM 1480 C SER A 127 -13.128 41.490 4.280 1.00 0.00 C ATOM 1481 O SER A 127 -13.129 42.603 3.756 1.00 0.00 O ATOM 1482 CB SER A 127 -15.103 41.960 5.742 1.00 0.00 C ATOM 1483 OG SER A 127 -15.835 41.511 6.869 1.00 0.00 O ATOM 0 H SER A 127 -13.299 42.426 7.357 1.00 0.00 H new ATOM 0 HA SER A 127 -13.870 40.202 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 127 -14.967 43.040 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 127 -15.670 41.759 4.833 1.00 0.00 H new ATOM 0 HG SER A 127 -16.702 41.967 6.899 1.00 0.00 H new ATOM 1489 N GLY A 128 -12.605 40.416 3.696 1.00 0.00 N ATOM 1490 CA GLY A 128 -11.998 40.509 2.381 1.00 0.00 C ATOM 1491 C GLY A 128 -11.167 41.765 2.214 1.00 0.00 C ATOM 1492 O GLY A 128 -10.009 41.812 2.631 1.00 0.00 O ATOM 0 H GLY A 128 -12.591 39.484 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.368 39.635 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.779 40.490 1.621 1.00 0.00 H new TER 1496 GLY A 128