USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 55:sc= 0.381 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.232 USER MOD Single : A 11 TYR OH : rot 165:sc=-0.00136 USER MOD Single : A 17 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.88 F(o=-3.1!,f=-1.9) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.66 F(o=-1.3,f=-0.66) USER MOD Single : A 29 GLN : amide:sc= -0.0786 K(o=-0.079,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 149:sc= -0.258 (180deg=-2.53!) USER MOD Single : A 40 ASN : amide:sc= -0.0315 K(o=-0.031,f=-0.97) USER MOD Single : A 41 SER OG : rot 150:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0606) USER MOD Single : A 57 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.91) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.291 K(o=-0.29,f=-8.7!) USER MOD Single : A 74 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0642) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= -0.0715 (180deg=-0.396) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -2.84! X(o=-2.8!,f=-3.3) USER MOD Single : A 95 GLN : amide:sc= -0.0121 K(o=-0.012,f=-0.56) USER MOD Single : A 96 HIS : no HD1:sc=-0.00776 X(o=-0.0078,f=-0.11) USER MOD Single : A 97 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.075) USER MOD Single : A 98 SER OG : rot 104:sc= 0.316 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 110 SER OG : rot -46:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.491 -9.537 -21.858 1.00 0.00 N ATOM 2 CA GLY A 1 -4.328 -9.621 -20.995 1.00 0.00 C ATOM 3 C GLY A 1 -4.081 -11.028 -20.490 1.00 0.00 C ATOM 4 O GLY A 1 -3.224 -11.741 -21.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.617 -8.555 -22.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.356 -10.154 -22.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.336 -9.841 -21.333 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.450 -9.274 -21.540 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.461 -8.951 -20.145 1.00 0.00 H new ATOM 8 N SER A 2 -4.832 -11.429 -19.468 1.00 0.00 N ATOM 9 CA SER A 2 -4.686 -12.759 -18.888 1.00 0.00 C ATOM 10 C SER A 2 -3.224 -13.196 -18.892 1.00 0.00 C ATOM 11 O SER A 2 -2.909 -14.345 -19.201 1.00 0.00 O ATOM 12 CB SER A 2 -5.534 -13.771 -19.661 1.00 0.00 C ATOM 13 OG SER A 2 -6.882 -13.344 -19.750 1.00 0.00 O ATOM 0 H SER A 2 -5.547 -10.852 -19.025 1.00 0.00 H new ATOM 0 HA SER A 2 -5.032 -12.718 -17.855 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.124 -13.904 -20.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.488 -14.741 -19.167 1.00 0.00 H new ATOM 0 HG SER A 2 -7.403 -14.007 -20.250 1.00 0.00 H new ATOM 19 N SER A 3 -2.335 -12.270 -18.545 1.00 0.00 N ATOM 20 CA SER A 3 -0.906 -12.557 -18.511 1.00 0.00 C ATOM 21 C SER A 3 -0.397 -12.613 -17.074 1.00 0.00 C ATOM 22 O SER A 3 -0.092 -11.585 -16.471 1.00 0.00 O ATOM 23 CB SER A 3 -0.132 -11.496 -19.297 1.00 0.00 C ATOM 24 OG SER A 3 -0.219 -11.731 -20.692 1.00 0.00 O ATOM 0 H SER A 3 -2.580 -11.315 -18.284 1.00 0.00 H new ATOM 0 HA SER A 3 -0.745 -13.531 -18.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.528 -10.507 -19.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.913 -11.501 -18.989 1.00 0.00 H new ATOM 0 HG SER A 3 -1.161 -11.780 -20.957 1.00 0.00 H new ATOM 30 N GLY A 4 -0.307 -13.824 -16.532 1.00 0.00 N ATOM 31 CA GLY A 4 0.164 -13.994 -15.170 1.00 0.00 C ATOM 32 C GLY A 4 -0.845 -14.706 -14.292 1.00 0.00 C ATOM 33 O GLY A 4 -2.051 -14.514 -14.438 1.00 0.00 O ATOM 0 H GLY A 4 -0.552 -14.690 -17.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.096 -14.559 -15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.388 -13.017 -14.742 1.00 0.00 H new ATOM 37 N SER A 5 -0.350 -15.534 -13.377 1.00 0.00 N ATOM 38 CA SER A 5 -1.217 -16.283 -12.475 1.00 0.00 C ATOM 39 C SER A 5 -0.732 -16.165 -11.032 1.00 0.00 C ATOM 40 O SER A 5 0.440 -16.403 -10.739 1.00 0.00 O ATOM 41 CB SER A 5 -1.269 -17.755 -12.888 1.00 0.00 C ATOM 42 OG SER A 5 -2.096 -17.935 -14.025 1.00 0.00 O ATOM 0 H SER A 5 0.647 -15.703 -13.241 1.00 0.00 H new ATOM 0 HA SER A 5 -2.219 -15.859 -12.539 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.262 -18.111 -13.106 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.647 -18.355 -12.060 1.00 0.00 H new ATOM 0 HG SER A 5 -2.112 -18.883 -14.271 1.00 0.00 H new ATOM 48 N SER A 6 -1.642 -15.797 -10.137 1.00 0.00 N ATOM 49 CA SER A 6 -1.308 -15.644 -8.726 1.00 0.00 C ATOM 50 C SER A 6 0.073 -15.015 -8.560 1.00 0.00 C ATOM 51 O SER A 6 0.758 -15.248 -7.565 1.00 0.00 O ATOM 52 CB SER A 6 -1.351 -17.001 -8.020 1.00 0.00 C ATOM 53 OG SER A 6 -0.549 -17.954 -8.695 1.00 0.00 O ATOM 0 H SER A 6 -2.617 -15.599 -10.364 1.00 0.00 H new ATOM 0 HA SER A 6 -2.046 -14.983 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.003 -16.891 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.380 -17.357 -7.972 1.00 0.00 H new ATOM 0 HG SER A 6 -0.593 -18.812 -8.223 1.00 0.00 H new ATOM 59 N GLY A 7 0.474 -14.216 -9.544 1.00 0.00 N ATOM 60 CA GLY A 7 1.770 -13.567 -9.489 1.00 0.00 C ATOM 61 C GLY A 7 1.677 -12.125 -9.028 1.00 0.00 C ATOM 62 O GLY A 7 1.183 -11.264 -9.757 1.00 0.00 O ATOM 0 H GLY A 7 -0.075 -14.007 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.422 -14.120 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.232 -13.601 -10.476 1.00 0.00 H new ATOM 66 N LEU A 8 2.152 -11.861 -7.816 1.00 0.00 N ATOM 67 CA LEU A 8 2.118 -10.514 -7.258 1.00 0.00 C ATOM 68 C LEU A 8 3.197 -9.637 -7.887 1.00 0.00 C ATOM 69 O LEU A 8 2.961 -8.468 -8.193 1.00 0.00 O ATOM 70 CB LEU A 8 2.307 -10.564 -5.741 1.00 0.00 C ATOM 71 CG LEU A 8 1.136 -11.131 -4.938 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.289 -10.796 -3.462 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.185 -10.597 -5.473 1.00 0.00 C ATOM 0 H LEU A 8 2.565 -12.562 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 8 1.144 -10.079 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.193 -11.161 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.509 -9.553 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 8 1.138 -12.216 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.446 -11.208 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.217 -11.226 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.313 -9.714 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.008 -11.011 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.196 -9.510 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.299 -10.887 -6.517 1.00 0.00 H new ATOM 85 N ASP A 9 4.380 -10.210 -8.078 1.00 0.00 N ATOM 86 CA ASP A 9 5.495 -9.482 -8.674 1.00 0.00 C ATOM 87 C ASP A 9 5.055 -8.761 -9.945 1.00 0.00 C ATOM 88 O ASP A 9 5.559 -7.684 -10.266 1.00 0.00 O ATOM 89 CB ASP A 9 6.648 -10.437 -8.987 1.00 0.00 C ATOM 90 CG ASP A 9 7.991 -9.736 -9.009 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.634 -9.654 -7.942 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.399 -9.267 -10.092 1.00 0.00 O ATOM 0 H ASP A 9 4.592 -11.176 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 9 5.837 -8.738 -7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.669 -11.233 -8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.472 -10.909 -9.953 1.00 0.00 H new ATOM 97 N ASP A 10 4.114 -9.363 -10.665 1.00 0.00 N ATOM 98 CA ASP A 10 3.608 -8.780 -11.902 1.00 0.00 C ATOM 99 C ASP A 10 3.350 -7.286 -11.731 1.00 0.00 C ATOM 100 O ASP A 10 4.046 -6.454 -12.316 1.00 0.00 O ATOM 101 CB ASP A 10 2.321 -9.485 -12.334 1.00 0.00 C ATOM 102 CG ASP A 10 2.591 -10.809 -13.023 1.00 0.00 C ATOM 103 OD1 ASP A 10 3.289 -11.656 -12.428 1.00 0.00 O ATOM 104 OD2 ASP A 10 2.102 -10.997 -14.156 1.00 0.00 O ATOM 0 H ASP A 10 3.687 -10.254 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 10 4.364 -8.915 -12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.692 -9.655 -11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.762 -8.835 -13.008 1.00 0.00 H new ATOM 109 N TYR A 11 2.346 -6.951 -10.929 1.00 0.00 N ATOM 110 CA TYR A 11 1.994 -5.558 -10.685 1.00 0.00 C ATOM 111 C TYR A 11 3.239 -4.724 -10.397 1.00 0.00 C ATOM 112 O TYR A 11 4.331 -5.262 -10.214 1.00 0.00 O ATOM 113 CB TYR A 11 1.015 -5.453 -9.514 1.00 0.00 C ATOM 114 CG TYR A 11 -0.268 -6.223 -9.729 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.238 -5.764 -10.612 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.511 -7.411 -9.049 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.413 -6.464 -10.810 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.683 -8.118 -9.242 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.630 -7.640 -10.123 1.00 0.00 C ATOM 120 OH TYR A 11 -3.798 -8.341 -10.318 1.00 0.00 O ATOM 0 H TYR A 11 1.761 -7.626 -10.436 1.00 0.00 H new ATOM 0 HA TYR A 11 1.517 -5.169 -11.584 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.502 -5.819 -8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.775 -4.403 -9.344 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.071 -4.844 -11.153 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.229 -7.788 -8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.157 -6.092 -11.499 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.856 -9.039 -8.706 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.700 -9.247 -9.958 1.00 0.00 H new ATOM 130 N ASP A 12 3.065 -3.408 -10.357 1.00 0.00 N ATOM 131 CA ASP A 12 4.173 -2.498 -10.089 1.00 0.00 C ATOM 132 C ASP A 12 4.206 -2.100 -8.617 1.00 0.00 C ATOM 133 O ASP A 12 5.245 -2.189 -7.963 1.00 0.00 O ATOM 134 CB ASP A 12 4.057 -1.248 -10.965 1.00 0.00 C ATOM 135 CG ASP A 12 4.529 -1.492 -12.385 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.686 -1.932 -12.560 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.742 -1.243 -13.322 1.00 0.00 O ATOM 0 H ASP A 12 2.167 -2.947 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 12 5.102 -3.016 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.019 -0.915 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.643 -0.442 -10.523 1.00 0.00 H new ATOM 142 N TRP A 13 3.062 -1.661 -8.102 1.00 0.00 N ATOM 143 CA TRP A 13 2.962 -1.250 -6.707 1.00 0.00 C ATOM 144 C TRP A 13 3.610 -2.278 -5.787 1.00 0.00 C ATOM 145 O TRP A 13 4.329 -1.924 -4.853 1.00 0.00 O ATOM 146 CB TRP A 13 1.496 -1.050 -6.318 1.00 0.00 C ATOM 147 CG TRP A 13 0.562 -1.991 -7.017 1.00 0.00 C ATOM 148 CD1 TRP A 13 -0.071 -1.783 -8.209 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.156 -3.288 -6.565 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.846 -2.873 -8.526 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.724 -3.809 -7.534 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.450 -4.059 -5.438 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.311 -5.066 -7.407 1.00 0.00 C ATOM 154 CZ3 TRP A 13 -0.133 -5.306 -5.313 1.00 0.00 C ATOM 155 CH2 TRP A 13 -1.004 -5.800 -6.293 1.00 0.00 C ATOM 0 H TRP A 13 2.193 -1.581 -8.629 1.00 0.00 H new ATOM 0 HA TRP A 13 3.494 -0.305 -6.594 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.392 -1.180 -5.241 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.204 -0.025 -6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.023 -0.893 -8.814 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.419 -2.969 -9.364 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.121 -3.687 -4.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.984 -5.448 -8.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.087 -5.910 -4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.442 -6.779 -6.167 1.00 0.00 H new ATOM 166 N PHE A 14 3.350 -3.553 -6.056 1.00 0.00 N ATOM 167 CA PHE A 14 3.907 -4.634 -5.252 1.00 0.00 C ATOM 168 C PHE A 14 5.432 -4.629 -5.317 1.00 0.00 C ATOM 169 O PHE A 14 6.025 -5.165 -6.252 1.00 0.00 O ATOM 170 CB PHE A 14 3.369 -5.984 -5.729 1.00 0.00 C ATOM 171 CG PHE A 14 3.729 -7.127 -4.824 1.00 0.00 C ATOM 172 CD1 PHE A 14 2.995 -7.378 -3.677 1.00 0.00 C ATOM 173 CD2 PHE A 14 4.804 -7.951 -5.120 1.00 0.00 C ATOM 174 CE1 PHE A 14 3.323 -8.429 -2.841 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.136 -9.004 -4.289 1.00 0.00 C ATOM 176 CZ PHE A 14 4.397 -9.242 -3.148 1.00 0.00 C ATOM 0 H PHE A 14 2.756 -3.863 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 14 3.604 -4.477 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.284 -5.925 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.754 -6.187 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.155 -6.744 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.388 -7.768 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.741 -8.614 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.974 -9.641 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.658 -10.063 -2.496 1.00 0.00 H new ATOM 186 N ALA A 15 6.059 -4.021 -4.316 1.00 0.00 N ATOM 187 CA ALA A 15 7.514 -3.947 -4.258 1.00 0.00 C ATOM 188 C ALA A 15 8.111 -5.265 -3.776 1.00 0.00 C ATOM 189 O ALA A 15 9.175 -5.679 -4.233 1.00 0.00 O ATOM 190 CB ALA A 15 7.949 -2.805 -3.351 1.00 0.00 C ATOM 0 H ALA A 15 5.582 -3.572 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 15 7.884 -3.757 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.038 -2.762 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.560 -1.864 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.561 -2.971 -2.346 1.00 0.00 H new ATOM 196 N GLY A 16 7.419 -5.919 -2.848 1.00 0.00 N ATOM 197 CA GLY A 16 7.897 -7.182 -2.319 1.00 0.00 C ATOM 198 C GLY A 16 8.813 -7.001 -1.125 1.00 0.00 C ATOM 199 O GLY A 16 8.729 -5.999 -0.417 1.00 0.00 O ATOM 0 H GLY A 16 6.536 -5.596 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.045 -7.797 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.429 -7.723 -3.102 1.00 0.00 H new ATOM 203 N ASN A 17 9.689 -7.975 -0.899 1.00 0.00 N ATOM 204 CA ASN A 17 10.622 -7.920 0.220 1.00 0.00 C ATOM 205 C ASN A 17 11.490 -6.667 0.143 1.00 0.00 C ATOM 206 O ASN A 17 12.416 -6.590 -0.664 1.00 0.00 O ATOM 207 CB ASN A 17 11.509 -9.167 0.235 1.00 0.00 C ATOM 208 CG ASN A 17 12.501 -9.184 -0.912 1.00 0.00 C ATOM 209 OD1 ASN A 17 13.624 -8.697 -0.782 1.00 0.00 O ATOM 210 ND2 ASN A 17 12.090 -9.746 -2.042 1.00 0.00 N ATOM 0 H ASN A 17 9.772 -8.812 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 17 10.042 -7.884 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.050 -9.214 1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.881 -10.057 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.714 -9.787 -2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.150 -10.137 -2.105 1.00 0.00 H new ATOM 217 N ILE A 18 11.182 -5.689 0.989 1.00 0.00 N ATOM 218 CA ILE A 18 11.935 -4.441 1.018 1.00 0.00 C ATOM 219 C ILE A 18 12.209 -3.997 2.450 1.00 0.00 C ATOM 220 O ILE A 18 11.376 -4.181 3.338 1.00 0.00 O ATOM 221 CB ILE A 18 11.188 -3.316 0.277 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.781 -3.142 0.856 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.121 -3.615 -1.212 1.00 0.00 C ATOM 224 CD1 ILE A 18 8.953 -2.106 0.128 1.00 0.00 C ATOM 0 H ILE A 18 10.417 -5.737 1.662 1.00 0.00 H new ATOM 0 HA ILE A 18 12.882 -4.632 0.513 1.00 0.00 H new ATOM 0 HB ILE A 18 11.736 -2.384 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.262 -4.100 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.861 -2.860 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.590 -2.811 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.131 -3.694 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.593 -4.555 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.969 -2.035 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.451 -1.138 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.842 -2.397 -0.916 1.00 0.00 H new ATOM 236 N SER A 19 13.382 -3.411 2.669 1.00 0.00 N ATOM 237 CA SER A 19 13.767 -2.942 3.995 1.00 0.00 C ATOM 238 C SER A 19 13.093 -1.611 4.318 1.00 0.00 C ATOM 239 O SER A 19 13.000 -0.727 3.467 1.00 0.00 O ATOM 240 CB SER A 19 15.287 -2.791 4.084 1.00 0.00 C ATOM 241 OG SER A 19 15.724 -2.828 5.431 1.00 0.00 O ATOM 0 H SER A 19 14.082 -3.250 1.945 1.00 0.00 H new ATOM 0 HA SER A 19 13.439 -3.682 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.769 -3.590 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.590 -1.850 3.626 1.00 0.00 H new ATOM 0 HG SER A 19 16.699 -2.731 5.461 1.00 0.00 H new ATOM 247 N ARG A 20 12.624 -1.478 5.554 1.00 0.00 N ATOM 248 CA ARG A 20 11.957 -0.257 5.990 1.00 0.00 C ATOM 249 C ARG A 20 12.710 0.977 5.504 1.00 0.00 C ATOM 250 O ARG A 20 12.106 2.010 5.211 1.00 0.00 O ATOM 251 CB ARG A 20 11.843 -0.230 7.516 1.00 0.00 C ATOM 252 CG ARG A 20 11.452 1.129 8.073 1.00 0.00 C ATOM 253 CD ARG A 20 12.674 2.001 8.323 1.00 0.00 C ATOM 254 NE ARG A 20 12.372 3.127 9.201 1.00 0.00 N ATOM 255 CZ ARG A 20 13.105 4.234 9.256 1.00 0.00 C ATOM 256 NH1 ARG A 20 14.178 4.361 8.487 1.00 0.00 N ATOM 257 NH2 ARG A 20 12.765 5.216 10.080 1.00 0.00 N ATOM 0 H ARG A 20 12.693 -2.200 6.271 1.00 0.00 H new ATOM 0 HA ARG A 20 10.957 -0.245 5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.105 -0.968 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.797 -0.530 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.782 1.631 7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.901 0.997 9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.465 1.397 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.054 2.375 7.372 1.00 0.00 H new ATOM 0 HE ARG A 20 11.553 3.061 9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.442 3.608 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.739 5.212 8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.940 5.122 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.328 6.065 10.121 1.00 0.00 H new ATOM 271 N SER A 21 14.031 0.864 5.420 1.00 0.00 N ATOM 272 CA SER A 21 14.867 1.972 4.974 1.00 0.00 C ATOM 273 C SER A 21 14.705 2.205 3.474 1.00 0.00 C ATOM 274 O SER A 21 14.728 3.343 3.007 1.00 0.00 O ATOM 275 CB SER A 21 16.336 1.694 5.302 1.00 0.00 C ATOM 276 OG SER A 21 16.625 2.009 6.653 1.00 0.00 O ATOM 0 H SER A 21 14.546 0.016 5.655 1.00 0.00 H new ATOM 0 HA SER A 21 14.548 2.871 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.562 0.644 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.976 2.281 4.643 1.00 0.00 H new ATOM 0 HG SER A 21 17.569 1.821 6.838 1.00 0.00 H new ATOM 282 N GLN A 22 14.539 1.118 2.728 1.00 0.00 N ATOM 283 CA GLN A 22 14.374 1.204 1.281 1.00 0.00 C ATOM 284 C GLN A 22 13.008 1.782 0.924 1.00 0.00 C ATOM 285 O GLN A 22 12.915 2.828 0.282 1.00 0.00 O ATOM 286 CB GLN A 22 14.539 -0.177 0.645 1.00 0.00 C ATOM 287 CG GLN A 22 15.974 -0.505 0.266 1.00 0.00 C ATOM 288 CD GLN A 22 16.676 0.653 -0.416 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.172 1.048 -1.579 1.00 0.00 O flip ATOM 290 NE2 GLN A 22 17.660 1.186 0.096 1.00 0.00 N flip ATOM 0 H GLN A 22 14.515 0.169 3.100 1.00 0.00 H new ATOM 0 HA GLN A 22 15.144 1.870 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.173 -0.934 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.914 -0.234 -0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.528 -0.784 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.982 -1.371 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.014 0.850 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.122 1.964 -0.375 1.00 0.00 H new ATOM 299 N SER A 23 11.952 1.094 1.343 1.00 0.00 N ATOM 300 CA SER A 23 10.590 1.536 1.062 1.00 0.00 C ATOM 301 C SER A 23 10.501 3.059 1.074 1.00 0.00 C ATOM 302 O SER A 23 9.874 3.661 0.204 1.00 0.00 O ATOM 303 CB SER A 23 9.619 0.950 2.088 1.00 0.00 C ATOM 304 OG SER A 23 10.194 0.934 3.384 1.00 0.00 O ATOM 0 H SER A 23 12.012 0.228 1.878 1.00 0.00 H new ATOM 0 HA SER A 23 10.316 1.180 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.701 1.537 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.345 -0.064 1.796 1.00 0.00 H new ATOM 0 HG SER A 23 9.553 0.556 4.022 1.00 0.00 H new ATOM 310 N GLU A 24 11.134 3.675 2.068 1.00 0.00 N ATOM 311 CA GLU A 24 11.126 5.127 2.194 1.00 0.00 C ATOM 312 C GLU A 24 11.899 5.777 1.051 1.00 0.00 C ATOM 313 O GLU A 24 11.341 6.547 0.270 1.00 0.00 O ATOM 314 CB GLU A 24 11.729 5.548 3.536 1.00 0.00 C ATOM 315 CG GLU A 24 10.787 5.358 4.713 1.00 0.00 C ATOM 316 CD GLU A 24 9.956 4.095 4.596 1.00 0.00 C ATOM 317 OE1 GLU A 24 9.206 3.968 3.606 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.055 3.234 5.495 1.00 0.00 O ATOM 0 H GLU A 24 11.658 3.191 2.797 1.00 0.00 H new ATOM 0 HA GLU A 24 10.090 5.464 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.638 4.973 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.021 6.597 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.366 5.323 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.124 6.220 4.786 1.00 0.00 H new ATOM 325 N GLN A 25 13.187 5.461 0.960 1.00 0.00 N ATOM 326 CA GLN A 25 14.038 6.016 -0.087 1.00 0.00 C ATOM 327 C GLN A 25 13.366 5.900 -1.451 1.00 0.00 C ATOM 328 O GLN A 25 13.330 6.861 -2.221 1.00 0.00 O ATOM 329 CB GLN A 25 15.389 5.299 -0.108 1.00 0.00 C ATOM 330 CG GLN A 25 16.380 5.840 0.910 1.00 0.00 C ATOM 331 CD GLN A 25 16.660 7.319 0.723 1.00 0.00 C ATOM 332 OE1 GLN A 25 15.838 8.160 1.341 1.00 0.00 O flip ATOM 333 NE2 GLN A 25 17.603 7.701 0.031 1.00 0.00 N flip ATOM 0 H GLN A 25 13.664 4.824 1.598 1.00 0.00 H new ATOM 0 HA GLN A 25 14.199 7.072 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.230 4.237 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.821 5.385 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.992 5.672 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 25 17.315 5.284 0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.209 7.020 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.778 8.699 -0.086 1.00 0.00 H new ATOM 342 N LEU A 26 12.835 4.718 -1.746 1.00 0.00 N ATOM 343 CA LEU A 26 12.165 4.476 -3.019 1.00 0.00 C ATOM 344 C LEU A 26 10.886 5.300 -3.125 1.00 0.00 C ATOM 345 O LEU A 26 10.516 5.755 -4.209 1.00 0.00 O ATOM 346 CB LEU A 26 11.841 2.988 -3.172 1.00 0.00 C ATOM 347 CG LEU A 26 12.985 2.019 -2.879 1.00 0.00 C ATOM 348 CD1 LEU A 26 12.635 0.618 -3.357 1.00 0.00 C ATOM 349 CD2 LEU A 26 14.273 2.500 -3.530 1.00 0.00 C ATOM 0 H LEU A 26 12.856 3.912 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 26 12.839 4.779 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.009 2.748 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.497 2.815 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 26 13.138 1.985 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.462 -0.058 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.738 0.272 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.453 0.635 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.076 1.797 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.133 2.565 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.534 3.483 -3.138 1.00 0.00 H new ATOM 361 N LEU A 27 10.215 5.491 -1.996 1.00 0.00 N ATOM 362 CA LEU A 27 8.978 6.263 -1.960 1.00 0.00 C ATOM 363 C LEU A 27 9.267 7.760 -2.030 1.00 0.00 C ATOM 364 O LEU A 27 8.427 8.544 -2.468 1.00 0.00 O ATOM 365 CB LEU A 27 8.189 5.943 -0.690 1.00 0.00 C ATOM 366 CG LEU A 27 7.276 4.719 -0.757 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.725 4.388 0.622 1.00 0.00 C ATOM 368 CD2 LEU A 27 6.142 4.952 -1.744 1.00 0.00 C ATOM 0 H LEU A 27 10.507 5.121 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 27 8.382 5.986 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.897 5.799 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.581 6.811 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 27 7.864 3.870 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.077 3.514 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.550 4.177 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.152 5.236 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.502 4.070 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.555 5.814 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.555 5.139 -2.735 1.00 0.00 H new ATOM 380 N ARG A 28 10.463 8.146 -1.597 1.00 0.00 N ATOM 381 CA ARG A 28 10.863 9.547 -1.612 1.00 0.00 C ATOM 382 C ARG A 28 11.444 9.933 -2.968 1.00 0.00 C ATOM 383 O ARG A 28 10.976 10.874 -3.609 1.00 0.00 O ATOM 384 CB ARG A 28 11.891 9.817 -0.510 1.00 0.00 C ATOM 385 CG ARG A 28 11.284 9.902 0.882 1.00 0.00 C ATOM 386 CD ARG A 28 12.358 9.899 1.958 1.00 0.00 C ATOM 387 NE ARG A 28 12.894 11.235 2.200 1.00 0.00 N ATOM 388 CZ ARG A 28 13.946 11.475 2.975 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.570 10.473 3.581 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.375 12.718 3.147 1.00 0.00 N ATOM 0 H ARG A 28 11.171 7.509 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 28 9.976 10.154 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.641 9.026 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.409 10.751 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.687 10.810 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.609 9.061 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.942 9.502 2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.167 9.232 1.660 1.00 0.00 H new ATOM 0 HE ARG A 28 12.436 12.027 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.242 9.516 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.377 10.660 4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.897 13.491 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.183 12.901 3.742 1.00 0.00 H new ATOM 404 N GLN A 29 12.467 9.201 -3.399 1.00 0.00 N ATOM 405 CA GLN A 29 13.111 9.468 -4.679 1.00 0.00 C ATOM 406 C GLN A 29 12.076 9.764 -5.759 1.00 0.00 C ATOM 407 O GLN A 29 12.240 10.689 -6.555 1.00 0.00 O ATOM 408 CB GLN A 29 13.975 8.277 -5.098 1.00 0.00 C ATOM 409 CG GLN A 29 13.171 7.097 -5.621 1.00 0.00 C ATOM 410 CD GLN A 29 14.048 5.935 -6.045 1.00 0.00 C ATOM 411 OE1 GLN A 29 15.137 5.736 -5.506 1.00 0.00 O ATOM 412 NE2 GLN A 29 13.577 5.161 -7.015 1.00 0.00 N ATOM 0 H GLN A 29 12.867 8.419 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 29 13.746 10.346 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.675 8.600 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.569 7.951 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.480 6.762 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.568 7.421 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.669 5.363 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.123 4.364 -7.342 1.00 0.00 H new ATOM 421 N LYS A 30 11.007 8.975 -5.780 1.00 0.00 N ATOM 422 CA LYS A 30 9.943 9.152 -6.760 1.00 0.00 C ATOM 423 C LYS A 30 9.547 10.621 -6.874 1.00 0.00 C ATOM 424 O LYS A 30 9.337 11.135 -7.972 1.00 0.00 O ATOM 425 CB LYS A 30 8.724 8.311 -6.378 1.00 0.00 C ATOM 426 CG LYS A 30 7.572 8.425 -7.363 1.00 0.00 C ATOM 427 CD LYS A 30 7.907 7.764 -8.690 1.00 0.00 C ATOM 428 CE LYS A 30 7.669 6.262 -8.639 1.00 0.00 C ATOM 429 NZ LYS A 30 8.138 5.585 -9.880 1.00 0.00 N ATOM 0 H LYS A 30 10.855 8.206 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 30 10.316 8.819 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.024 7.266 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.378 8.616 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.682 7.961 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.336 9.476 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.299 8.203 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.949 7.960 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.187 5.841 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.606 6.067 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.959 4.563 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.626 5.969 -10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.158 5.750 -10.001 1.00 0.00 H new ATOM 443 N GLY A 31 9.446 11.291 -5.730 1.00 0.00 N ATOM 444 CA GLY A 31 9.076 12.695 -5.723 1.00 0.00 C ATOM 445 C GLY A 31 7.635 12.916 -6.138 1.00 0.00 C ATOM 446 O GLY A 31 7.320 13.897 -6.812 1.00 0.00 O ATOM 0 H GLY A 31 9.614 10.887 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.230 13.103 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.733 13.244 -6.397 1.00 0.00 H new ATOM 450 N LYS A 32 6.758 12.003 -5.737 1.00 0.00 N ATOM 451 CA LYS A 32 5.343 12.102 -6.071 1.00 0.00 C ATOM 452 C LYS A 32 4.475 11.895 -4.834 1.00 0.00 C ATOM 453 O LYS A 32 4.194 10.762 -4.445 1.00 0.00 O ATOM 454 CB LYS A 32 4.977 11.069 -7.141 1.00 0.00 C ATOM 455 CG LYS A 32 5.693 11.286 -8.464 1.00 0.00 C ATOM 456 CD LYS A 32 4.918 12.228 -9.369 1.00 0.00 C ATOM 457 CE LYS A 32 5.344 12.081 -10.822 1.00 0.00 C ATOM 458 NZ LYS A 32 4.660 10.936 -11.487 1.00 0.00 N ATOM 0 H LYS A 32 7.003 11.185 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 32 5.157 13.103 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.213 10.072 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.901 11.099 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.687 11.694 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.830 10.328 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.851 12.025 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.075 13.257 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.119 13.001 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.423 11.938 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.977 10.869 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.894 10.054 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.631 11.085 -11.463 1.00 0.00 H new ATOM 472 N GLU A 33 4.055 12.997 -4.220 1.00 0.00 N ATOM 473 CA GLU A 33 3.219 12.934 -3.027 1.00 0.00 C ATOM 474 C GLU A 33 1.960 12.111 -3.286 1.00 0.00 C ATOM 475 O GLU A 33 1.131 12.470 -4.121 1.00 0.00 O ATOM 476 CB GLU A 33 2.834 14.344 -2.573 1.00 0.00 C ATOM 477 CG GLU A 33 4.003 15.149 -2.030 1.00 0.00 C ATOM 478 CD GLU A 33 4.786 15.851 -3.121 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.288 16.871 -3.644 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.895 15.383 -3.453 1.00 0.00 O ATOM 0 H GLU A 33 4.280 13.943 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 33 3.793 12.449 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.394 14.880 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.065 14.272 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.631 15.889 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.670 14.487 -1.478 1.00 0.00 H new ATOM 487 N GLY A 34 1.827 11.002 -2.565 1.00 0.00 N ATOM 488 CA GLY A 34 0.669 10.144 -2.731 1.00 0.00 C ATOM 489 C GLY A 34 1.043 8.747 -3.186 1.00 0.00 C ATOM 490 O GLY A 34 0.230 7.826 -3.116 1.00 0.00 O ATOM 0 H GLY A 34 2.501 10.683 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.128 10.083 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.009 10.590 -3.458 1.00 0.00 H new ATOM 494 N ALA A 35 2.276 8.591 -3.655 1.00 0.00 N ATOM 495 CA ALA A 35 2.756 7.296 -4.125 1.00 0.00 C ATOM 496 C ALA A 35 2.569 6.223 -3.058 1.00 0.00 C ATOM 497 O ALA A 35 2.789 6.467 -1.871 1.00 0.00 O ATOM 498 CB ALA A 35 4.219 7.391 -4.530 1.00 0.00 C ATOM 0 H ALA A 35 2.961 9.344 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 35 2.167 7.012 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.564 6.418 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.328 8.123 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.815 7.701 -3.671 1.00 0.00 H new ATOM 504 N PHE A 36 2.162 5.033 -3.487 1.00 0.00 N ATOM 505 CA PHE A 36 1.944 3.922 -2.568 1.00 0.00 C ATOM 506 C PHE A 36 2.747 2.696 -2.995 1.00 0.00 C ATOM 507 O PHE A 36 3.359 2.684 -4.063 1.00 0.00 O ATOM 508 CB PHE A 36 0.456 3.573 -2.499 1.00 0.00 C ATOM 509 CG PHE A 36 0.004 2.658 -3.602 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.050 3.104 -4.912 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.366 1.351 -3.328 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.466 2.264 -5.929 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.783 0.507 -4.340 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.831 0.964 -5.642 1.00 0.00 C ATOM 0 H PHE A 36 1.976 4.813 -4.466 1.00 0.00 H new ATOM 0 HA PHE A 36 2.284 4.230 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.245 3.103 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.127 4.493 -2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.236 4.120 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.328 0.988 -2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.505 2.625 -6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.071 -0.509 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.154 0.305 -6.435 1.00 0.00 H new ATOM 524 N MET A 37 2.739 1.668 -2.154 1.00 0.00 N ATOM 525 CA MET A 37 3.465 0.437 -2.445 1.00 0.00 C ATOM 526 C MET A 37 3.027 -0.686 -1.511 1.00 0.00 C ATOM 527 O MET A 37 2.402 -0.441 -0.480 1.00 0.00 O ATOM 528 CB MET A 37 4.972 0.666 -2.314 1.00 0.00 C ATOM 529 CG MET A 37 5.422 0.954 -0.892 1.00 0.00 C ATOM 530 SD MET A 37 7.150 0.522 -0.609 1.00 0.00 S ATOM 531 CE MET A 37 7.922 1.256 -2.048 1.00 0.00 C ATOM 0 H MET A 37 2.238 1.662 -1.265 1.00 0.00 H new ATOM 0 HA MET A 37 3.237 0.143 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.498 -0.215 -2.681 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.261 1.500 -2.954 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.276 2.012 -0.676 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.794 0.397 -0.197 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.934 1.572 -1.796 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.961 0.523 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.342 2.120 -2.371 1.00 0.00 H new ATOM 541 N VAL A 38 3.359 -1.920 -1.880 1.00 0.00 N ATOM 542 CA VAL A 38 3.000 -3.081 -1.076 1.00 0.00 C ATOM 543 C VAL A 38 4.193 -4.011 -0.890 1.00 0.00 C ATOM 544 O VAL A 38 4.762 -4.510 -1.862 1.00 0.00 O ATOM 545 CB VAL A 38 1.842 -3.871 -1.714 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.530 -5.116 -0.897 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.609 -2.991 -1.851 1.00 0.00 C ATOM 0 H VAL A 38 3.876 -2.140 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 38 2.681 -2.705 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 38 2.148 -4.187 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.709 -5.661 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.412 -5.755 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.244 -4.826 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.199 -3.565 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.299 -2.643 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.842 -2.133 -2.482 1.00 0.00 H new ATOM 557 N ARG A 39 4.569 -4.241 0.364 1.00 0.00 N ATOM 558 CA ARG A 39 5.696 -5.111 0.677 1.00 0.00 C ATOM 559 C ARG A 39 5.245 -6.303 1.517 1.00 0.00 C ATOM 560 O ARG A 39 4.219 -6.246 2.194 1.00 0.00 O ATOM 561 CB ARG A 39 6.779 -4.330 1.422 1.00 0.00 C ATOM 562 CG ARG A 39 6.333 -3.811 2.779 1.00 0.00 C ATOM 563 CD ARG A 39 7.430 -3.003 3.455 1.00 0.00 C ATOM 564 NE ARG A 39 7.179 -2.828 4.883 1.00 0.00 N ATOM 565 CZ ARG A 39 8.104 -2.425 5.747 1.00 0.00 C ATOM 566 NH1 ARG A 39 9.334 -2.157 5.330 1.00 0.00 N ATOM 567 NH2 ARG A 39 7.800 -2.289 7.032 1.00 0.00 N ATOM 0 H ARG A 39 4.109 -3.837 1.180 1.00 0.00 H new ATOM 0 HA ARG A 39 6.107 -5.484 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.650 -4.972 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.096 -3.488 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.445 -3.191 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.052 -4.650 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.388 -3.503 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.507 -2.026 2.978 1.00 0.00 H new ATOM 0 HE ARG A 39 6.243 -3.026 5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.572 -2.260 4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.042 -1.848 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.855 -2.494 7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.511 -1.979 7.694 1.00 0.00 H new ATOM 581 N ASN A 40 6.020 -7.382 1.467 1.00 0.00 N ATOM 582 CA ASN A 40 5.700 -8.588 2.223 1.00 0.00 C ATOM 583 C ASN A 40 5.781 -8.327 3.724 1.00 0.00 C ATOM 584 O ASN A 40 6.575 -7.506 4.180 1.00 0.00 O ATOM 585 CB ASN A 40 6.653 -9.722 1.839 1.00 0.00 C ATOM 586 CG ASN A 40 6.084 -11.090 2.166 1.00 0.00 C ATOM 587 OD1 ASN A 40 4.886 -11.329 2.012 1.00 0.00 O ATOM 588 ND2 ASN A 40 6.943 -11.995 2.618 1.00 0.00 N ATOM 0 H ASN A 40 6.873 -7.446 0.912 1.00 0.00 H new ATOM 0 HA ASN A 40 4.679 -8.881 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.868 -9.666 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.600 -9.590 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.619 -12.933 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.927 -11.753 2.730 1.00 0.00 H new ATOM 595 N SER A 41 4.952 -9.032 4.487 1.00 0.00 N ATOM 596 CA SER A 41 4.925 -8.875 5.936 1.00 0.00 C ATOM 597 C SER A 41 5.968 -9.771 6.598 1.00 0.00 C ATOM 598 O SER A 41 6.385 -10.781 6.031 1.00 0.00 O ATOM 599 CB SER A 41 3.535 -9.202 6.482 1.00 0.00 C ATOM 600 OG SER A 41 3.450 -8.917 7.867 1.00 0.00 O ATOM 0 H SER A 41 4.290 -9.718 4.125 1.00 0.00 H new ATOM 0 HA SER A 41 5.162 -7.837 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.784 -8.625 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.312 -10.255 6.310 1.00 0.00 H new ATOM 0 HG SER A 41 2.530 -8.666 8.093 1.00 0.00 H new ATOM 606 N SER A 42 6.384 -9.395 7.803 1.00 0.00 N ATOM 607 CA SER A 42 7.379 -10.162 8.543 1.00 0.00 C ATOM 608 C SER A 42 7.094 -11.658 8.447 1.00 0.00 C ATOM 609 O SER A 42 7.968 -12.443 8.082 1.00 0.00 O ATOM 610 CB SER A 42 7.402 -9.728 10.010 1.00 0.00 C ATOM 611 OG SER A 42 8.150 -8.536 10.178 1.00 0.00 O ATOM 0 H SER A 42 6.047 -8.563 8.288 1.00 0.00 H new ATOM 0 HA SER A 42 8.355 -9.967 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.382 -9.574 10.363 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.834 -10.521 10.620 1.00 0.00 H new ATOM 0 HG SER A 42 8.148 -8.279 11.124 1.00 0.00 H new ATOM 617 N GLN A 43 5.866 -12.041 8.777 1.00 0.00 N ATOM 618 CA GLN A 43 5.465 -13.443 8.730 1.00 0.00 C ATOM 619 C GLN A 43 4.633 -13.729 7.484 1.00 0.00 C ATOM 620 O GLN A 43 3.753 -12.948 7.120 1.00 0.00 O ATOM 621 CB GLN A 43 4.670 -13.810 9.983 1.00 0.00 C ATOM 622 CG GLN A 43 5.541 -14.056 11.205 1.00 0.00 C ATOM 623 CD GLN A 43 4.763 -13.970 12.503 1.00 0.00 C ATOM 624 OE1 GLN A 43 3.617 -14.411 12.584 1.00 0.00 O ATOM 625 NE2 GLN A 43 5.384 -13.399 13.529 1.00 0.00 N ATOM 0 H GLN A 43 5.131 -11.402 9.080 1.00 0.00 H new ATOM 0 HA GLN A 43 6.368 -14.052 8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.966 -13.008 10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.081 -14.705 9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.001 -15.041 11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.351 -13.326 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.335 -13.047 13.418 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.910 -13.313 14.428 1.00 0.00 H new ATOM 634 N VAL A 44 4.917 -14.852 6.833 1.00 0.00 N ATOM 635 CA VAL A 44 4.194 -15.242 5.628 1.00 0.00 C ATOM 636 C VAL A 44 2.687 -15.209 5.857 1.00 0.00 C ATOM 637 O VAL A 44 2.155 -15.963 6.671 1.00 0.00 O ATOM 638 CB VAL A 44 4.601 -16.652 5.161 1.00 0.00 C ATOM 639 CG1 VAL A 44 4.264 -17.685 6.226 1.00 0.00 C ATOM 640 CG2 VAL A 44 3.922 -16.993 3.843 1.00 0.00 C ATOM 0 H VAL A 44 5.643 -15.508 7.120 1.00 0.00 H new ATOM 0 HA VAL A 44 4.457 -14.521 4.854 1.00 0.00 H new ATOM 0 HB VAL A 44 5.679 -16.666 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.559 -18.675 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.800 -17.448 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.191 -17.672 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.221 -17.993 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.840 -16.961 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.218 -16.269 3.083 1.00 0.00 H new ATOM 650 N GLY A 45 2.003 -14.329 5.131 1.00 0.00 N ATOM 651 CA GLY A 45 0.563 -14.215 5.268 1.00 0.00 C ATOM 652 C GLY A 45 0.082 -12.782 5.155 1.00 0.00 C ATOM 653 O GLY A 45 -0.477 -12.387 4.132 1.00 0.00 O ATOM 0 H GLY A 45 2.421 -13.694 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.079 -14.819 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.259 -14.622 6.233 1.00 0.00 H new ATOM 657 N MET A 46 0.298 -12.001 6.209 1.00 0.00 N ATOM 658 CA MET A 46 -0.118 -10.604 6.222 1.00 0.00 C ATOM 659 C MET A 46 0.665 -9.793 5.194 1.00 0.00 C ATOM 660 O MET A 46 1.686 -10.250 4.676 1.00 0.00 O ATOM 661 CB MET A 46 0.078 -10.005 7.616 1.00 0.00 C ATOM 662 CG MET A 46 -0.980 -10.442 8.619 1.00 0.00 C ATOM 663 SD MET A 46 -0.523 -11.947 9.499 1.00 0.00 S ATOM 664 CE MET A 46 -1.967 -12.963 9.203 1.00 0.00 C ATOM 0 H MET A 46 0.758 -12.312 7.064 1.00 0.00 H new ATOM 0 HA MET A 46 -1.176 -10.564 5.961 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.061 -10.290 7.990 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.068 -8.918 7.540 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.145 -9.641 9.339 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.924 -10.603 8.099 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.836 -13.931 9.686 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.849 -12.470 9.612 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.097 -13.108 8.130 1.00 0.00 H new ATOM 674 N TYR A 47 0.183 -8.591 4.904 1.00 0.00 N ATOM 675 CA TYR A 47 0.837 -7.718 3.936 1.00 0.00 C ATOM 676 C TYR A 47 0.888 -6.280 4.444 1.00 0.00 C ATOM 677 O TYR A 47 -0.089 -5.767 4.991 1.00 0.00 O ATOM 678 CB TYR A 47 0.103 -7.770 2.594 1.00 0.00 C ATOM 679 CG TYR A 47 0.245 -9.093 1.877 1.00 0.00 C ATOM 680 CD1 TYR A 47 1.436 -9.443 1.252 1.00 0.00 C ATOM 681 CD2 TYR A 47 -0.811 -9.995 1.824 1.00 0.00 C ATOM 682 CE1 TYR A 47 1.570 -10.651 0.595 1.00 0.00 C ATOM 683 CE2 TYR A 47 -0.685 -11.205 1.171 1.00 0.00 C ATOM 684 CZ TYR A 47 0.506 -11.529 0.558 1.00 0.00 C ATOM 685 OH TYR A 47 0.636 -12.733 -0.095 1.00 0.00 O ATOM 0 H TYR A 47 -0.659 -8.198 5.325 1.00 0.00 H new ATOM 0 HA TYR A 47 1.859 -8.072 3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.955 -7.568 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.482 -6.975 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.271 -8.759 1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.747 -9.745 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.502 -10.907 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.516 -11.894 1.141 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.203 -13.234 -0.027 1.00 0.00 H new ATOM 695 N THR A 48 2.035 -5.635 4.260 1.00 0.00 N ATOM 696 CA THR A 48 2.216 -4.258 4.700 1.00 0.00 C ATOM 697 C THR A 48 2.143 -3.291 3.524 1.00 0.00 C ATOM 698 O THR A 48 3.029 -3.270 2.668 1.00 0.00 O ATOM 699 CB THR A 48 3.564 -4.070 5.422 1.00 0.00 C ATOM 700 OG1 THR A 48 3.728 -5.079 6.425 1.00 0.00 O ATOM 701 CG2 THR A 48 3.649 -2.693 6.061 1.00 0.00 C ATOM 0 H THR A 48 2.853 -6.045 3.809 1.00 0.00 H new ATOM 0 HA THR A 48 1.406 -4.041 5.397 1.00 0.00 H new ATOM 0 HB THR A 48 4.361 -4.160 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.588 -4.953 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.610 -2.584 6.565 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.555 -1.928 5.290 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.844 -2.578 6.787 1.00 0.00 H new ATOM 709 N VAL A 49 1.083 -2.489 3.487 1.00 0.00 N ATOM 710 CA VAL A 49 0.896 -1.518 2.417 1.00 0.00 C ATOM 711 C VAL A 49 1.342 -0.127 2.852 1.00 0.00 C ATOM 712 O VAL A 49 0.601 0.593 3.521 1.00 0.00 O ATOM 713 CB VAL A 49 -0.576 -1.455 1.966 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.726 -0.552 0.751 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.102 -2.851 1.671 1.00 0.00 C ATOM 0 H VAL A 49 0.341 -2.493 4.187 1.00 0.00 H new ATOM 0 HA VAL A 49 1.511 -1.848 1.580 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.168 -1.032 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.773 -0.521 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.391 0.454 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.122 -0.942 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.143 -2.788 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.508 -3.304 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.033 -3.463 2.570 1.00 0.00 H new ATOM 725 N SER A 50 2.558 0.246 2.467 1.00 0.00 N ATOM 726 CA SER A 50 3.106 1.550 2.821 1.00 0.00 C ATOM 727 C SER A 50 2.962 2.532 1.662 1.00 0.00 C ATOM 728 O SER A 50 3.001 2.142 0.493 1.00 0.00 O ATOM 729 CB SER A 50 4.578 1.419 3.214 1.00 0.00 C ATOM 730 OG SER A 50 4.764 0.380 4.159 1.00 0.00 O ATOM 0 H SER A 50 3.183 -0.337 1.910 1.00 0.00 H new ATOM 0 HA SER A 50 2.544 1.934 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.178 1.219 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.931 2.362 3.632 1.00 0.00 H new ATOM 0 HG SER A 50 5.714 0.316 4.392 1.00 0.00 H new ATOM 736 N LEU A 51 2.796 3.808 1.992 1.00 0.00 N ATOM 737 CA LEU A 51 2.647 4.848 0.981 1.00 0.00 C ATOM 738 C LEU A 51 3.043 6.211 1.537 1.00 0.00 C ATOM 739 O LEU A 51 2.781 6.518 2.701 1.00 0.00 O ATOM 740 CB LEU A 51 1.203 4.890 0.475 1.00 0.00 C ATOM 741 CG LEU A 51 0.178 5.510 1.423 1.00 0.00 C ATOM 742 CD1 LEU A 51 0.101 7.015 1.217 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.189 4.872 1.222 1.00 0.00 C ATOM 0 H LEU A 51 2.761 4.147 2.953 1.00 0.00 H new ATOM 0 HA LEU A 51 3.311 4.610 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.184 5.446 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.889 3.871 0.248 1.00 0.00 H new ATOM 0 HG LEU A 51 0.499 5.320 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.634 7.439 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.077 7.459 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.195 7.227 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.906 5.326 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.517 5.030 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.124 3.802 1.422 1.00 0.00 H new ATOM 755 N PHE A 52 3.674 7.026 0.699 1.00 0.00 N ATOM 756 CA PHE A 52 4.104 8.359 1.107 1.00 0.00 C ATOM 757 C PHE A 52 2.985 9.375 0.914 1.00 0.00 C ATOM 758 O PHE A 52 2.088 9.179 0.094 1.00 0.00 O ATOM 759 CB PHE A 52 5.339 8.785 0.310 1.00 0.00 C ATOM 760 CG PHE A 52 5.847 10.150 0.675 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.195 10.448 1.983 1.00 0.00 C ATOM 762 CD2 PHE A 52 5.975 11.137 -0.289 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.663 11.703 2.323 1.00 0.00 C ATOM 764 CE2 PHE A 52 6.443 12.394 0.044 1.00 0.00 C ATOM 765 CZ PHE A 52 6.786 12.677 1.352 1.00 0.00 C ATOM 0 H PHE A 52 3.899 6.787 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 52 4.358 8.323 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.133 8.056 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.099 8.768 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.099 9.690 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.706 10.922 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.932 11.922 3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.540 13.154 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.150 13.659 1.615 1.00 0.00 H new ATOM 775 N SER A 53 3.043 10.464 1.675 1.00 0.00 N ATOM 776 CA SER A 53 2.031 11.511 1.592 1.00 0.00 C ATOM 777 C SER A 53 2.452 12.737 2.397 1.00 0.00 C ATOM 778 O SER A 53 3.349 12.666 3.236 1.00 0.00 O ATOM 779 CB SER A 53 0.685 10.990 2.099 1.00 0.00 C ATOM 780 OG SER A 53 0.781 10.553 3.443 1.00 0.00 O ATOM 0 H SER A 53 3.781 10.644 2.356 1.00 0.00 H new ATOM 0 HA SER A 53 1.928 11.802 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.065 11.777 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.349 10.167 1.469 1.00 0.00 H new ATOM 0 HG SER A 53 -0.093 10.226 3.744 1.00 0.00 H new ATOM 786 N LYS A 54 1.794 13.862 2.136 1.00 0.00 N ATOM 787 CA LYS A 54 2.096 15.105 2.836 1.00 0.00 C ATOM 788 C LYS A 54 0.817 15.783 3.317 1.00 0.00 C ATOM 789 O LYS A 54 -0.278 15.463 2.854 1.00 0.00 O ATOM 790 CB LYS A 54 2.876 16.053 1.923 1.00 0.00 C ATOM 791 CG LYS A 54 4.382 15.880 2.011 1.00 0.00 C ATOM 792 CD LYS A 54 5.111 16.897 1.148 1.00 0.00 C ATOM 793 CE LYS A 54 5.209 18.248 1.842 1.00 0.00 C ATOM 794 NZ LYS A 54 6.225 18.239 2.932 1.00 0.00 N ATOM 0 H LYS A 54 1.048 13.938 1.445 1.00 0.00 H new ATOM 0 HA LYS A 54 2.708 14.863 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.560 15.893 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.621 17.082 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.701 15.986 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.653 14.873 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.112 16.531 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.588 17.011 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.467 19.014 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.236 18.516 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.409 19.214 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.869 17.681 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.107 17.815 2.581 1.00 0.00 H new ATOM 808 N ALA A 55 0.963 16.721 4.247 1.00 0.00 N ATOM 809 CA ALA A 55 -0.180 17.446 4.787 1.00 0.00 C ATOM 810 C ALA A 55 -0.002 18.952 4.624 1.00 0.00 C ATOM 811 O ALA A 55 1.051 19.419 4.191 1.00 0.00 O ATOM 812 CB ALA A 55 -0.386 17.092 6.253 1.00 0.00 C ATOM 0 H ALA A 55 1.862 16.997 4.642 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.065 17.148 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.243 17.641 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.568 16.021 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.505 17.360 6.821 1.00 0.00 H new ATOM 818 N VAL A 56 -1.039 19.707 4.974 1.00 0.00 N ATOM 819 CA VAL A 56 -0.996 21.161 4.866 1.00 0.00 C ATOM 820 C VAL A 56 0.142 21.739 5.698 1.00 0.00 C ATOM 821 O VAL A 56 1.068 22.349 5.164 1.00 0.00 O ATOM 822 CB VAL A 56 -2.324 21.796 5.321 1.00 0.00 C ATOM 823 CG1 VAL A 56 -2.246 23.313 5.237 1.00 0.00 C ATOM 824 CG2 VAL A 56 -3.481 21.266 4.486 1.00 0.00 C ATOM 0 H VAL A 56 -1.918 19.336 5.334 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.830 21.397 3.815 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.501 21.522 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.193 23.745 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.443 23.672 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.046 23.611 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.411 21.725 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.314 21.509 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.548 20.184 4.602 1.00 0.00 H new ATOM 834 N ASN A 57 0.068 21.545 7.011 1.00 0.00 N ATOM 835 CA ASN A 57 1.093 22.048 7.919 1.00 0.00 C ATOM 836 C ASN A 57 2.111 20.960 8.245 1.00 0.00 C ATOM 837 O ASN A 57 1.985 20.259 9.249 1.00 0.00 O ATOM 838 CB ASN A 57 0.452 22.566 9.208 1.00 0.00 C ATOM 839 CG ASN A 57 1.458 23.233 10.126 1.00 0.00 C ATOM 840 OD1 ASN A 57 2.619 23.420 9.761 1.00 0.00 O ATOM 841 ND2 ASN A 57 1.015 23.597 11.324 1.00 0.00 N ATOM 0 H ASN A 57 -0.692 21.043 7.470 1.00 0.00 H new ATOM 0 HA ASN A 57 1.611 22.869 7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.336 23.277 8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.022 21.737 9.734 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.646 24.052 11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.044 23.422 11.584 1.00 0.00 H new ATOM 848 N ASP A 58 3.120 20.827 7.391 1.00 0.00 N ATOM 849 CA ASP A 58 4.162 19.826 7.589 1.00 0.00 C ATOM 850 C ASP A 58 5.382 20.133 6.727 1.00 0.00 C ATOM 851 O ASP A 58 5.260 20.398 5.530 1.00 0.00 O ATOM 852 CB ASP A 58 3.629 18.432 7.260 1.00 0.00 C ATOM 853 CG ASP A 58 4.735 17.403 7.130 1.00 0.00 C ATOM 854 OD1 ASP A 58 5.299 17.003 8.171 1.00 0.00 O ATOM 855 OD2 ASP A 58 5.038 16.999 5.988 1.00 0.00 O ATOM 0 H ASP A 58 3.238 21.400 6.555 1.00 0.00 H new ATOM 0 HA ASP A 58 4.463 19.854 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.935 18.118 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.064 18.473 6.329 1.00 0.00 H new ATOM 860 N LYS A 59 6.559 20.100 7.342 1.00 0.00 N ATOM 861 CA LYS A 59 7.803 20.375 6.632 1.00 0.00 C ATOM 862 C LYS A 59 8.209 19.187 5.766 1.00 0.00 C ATOM 863 O LYS A 59 8.518 19.344 4.584 1.00 0.00 O ATOM 864 CB LYS A 59 8.920 20.701 7.626 1.00 0.00 C ATOM 865 CG LYS A 59 8.622 21.904 8.502 1.00 0.00 C ATOM 866 CD LYS A 59 9.897 22.512 9.066 1.00 0.00 C ATOM 867 CE LYS A 59 10.390 21.744 10.283 1.00 0.00 C ATOM 868 NZ LYS A 59 11.526 22.437 10.953 1.00 0.00 N ATOM 0 H LYS A 59 6.678 19.885 8.332 1.00 0.00 H new ATOM 0 HA LYS A 59 7.640 21.236 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.094 19.833 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.843 20.883 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.086 22.654 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.967 21.606 9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.671 22.515 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.716 23.551 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.571 21.621 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.702 20.745 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.833 21.882 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.317 22.532 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.221 23.381 11.265 1.00 0.00 H new ATOM 882 N LYS A 60 8.203 17.999 6.359 1.00 0.00 N ATOM 883 CA LYS A 60 8.568 16.783 5.642 1.00 0.00 C ATOM 884 C LYS A 60 7.476 15.726 5.772 1.00 0.00 C ATOM 885 O LYS A 60 7.062 15.380 6.878 1.00 0.00 O ATOM 886 CB LYS A 60 9.893 16.230 6.172 1.00 0.00 C ATOM 887 CG LYS A 60 9.829 15.788 7.624 1.00 0.00 C ATOM 888 CD LYS A 60 11.179 15.923 8.308 1.00 0.00 C ATOM 889 CE LYS A 60 11.423 17.347 8.781 1.00 0.00 C ATOM 890 NZ LYS A 60 10.784 17.610 10.101 1.00 0.00 N ATOM 0 H LYS A 60 7.949 17.852 7.336 1.00 0.00 H new ATOM 0 HA LYS A 60 8.683 17.035 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.196 15.383 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.664 16.993 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.089 16.387 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.496 14.751 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.227 15.243 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.969 15.627 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.496 17.527 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.032 18.047 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.973 18.591 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.757 17.463 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.175 16.959 10.812 1.00 0.00 H new ATOM 904 N GLY A 61 7.015 15.214 4.635 1.00 0.00 N ATOM 905 CA GLY A 61 5.975 14.200 4.644 1.00 0.00 C ATOM 906 C GLY A 61 6.335 13.011 5.512 1.00 0.00 C ATOM 907 O GLY A 61 7.508 12.780 5.810 1.00 0.00 O ATOM 0 H GLY A 61 7.343 15.483 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.045 14.640 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.794 13.860 3.624 1.00 0.00 H new ATOM 911 N THR A 62 5.323 12.252 5.923 1.00 0.00 N ATOM 912 CA THR A 62 5.537 11.082 6.764 1.00 0.00 C ATOM 913 C THR A 62 5.070 9.810 6.067 1.00 0.00 C ATOM 914 O THR A 62 3.982 9.769 5.492 1.00 0.00 O ATOM 915 CB THR A 62 4.799 11.215 8.110 1.00 0.00 C ATOM 916 OG1 THR A 62 5.126 12.467 8.726 1.00 0.00 O ATOM 917 CG2 THR A 62 5.168 10.073 9.045 1.00 0.00 C ATOM 0 H THR A 62 4.347 12.428 5.686 1.00 0.00 H new ATOM 0 HA THR A 62 6.609 11.019 6.949 1.00 0.00 H new ATOM 0 HB THR A 62 3.727 11.174 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.652 12.545 9.580 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.635 10.189 9.989 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.892 9.124 8.586 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.242 10.088 9.231 1.00 0.00 H new ATOM 925 N VAL A 63 5.900 8.772 6.119 1.00 0.00 N ATOM 926 CA VAL A 63 5.571 7.498 5.492 1.00 0.00 C ATOM 927 C VAL A 63 4.651 6.670 6.383 1.00 0.00 C ATOM 928 O VAL A 63 4.974 6.386 7.537 1.00 0.00 O ATOM 929 CB VAL A 63 6.840 6.682 5.184 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.473 5.275 4.736 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.681 7.383 4.128 1.00 0.00 C ATOM 0 H VAL A 63 6.805 8.789 6.589 1.00 0.00 H new ATOM 0 HA VAL A 63 5.059 7.726 4.557 1.00 0.00 H new ATOM 0 HB VAL A 63 7.432 6.606 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.382 4.712 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.914 4.775 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.859 5.328 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.574 6.792 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.099 7.491 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.973 8.368 4.491 1.00 0.00 H new ATOM 941 N LYS A 64 3.503 6.283 5.839 1.00 0.00 N ATOM 942 CA LYS A 64 2.534 5.484 6.581 1.00 0.00 C ATOM 943 C LYS A 64 2.678 4.003 6.244 1.00 0.00 C ATOM 944 O LYS A 64 3.134 3.645 5.158 1.00 0.00 O ATOM 945 CB LYS A 64 1.111 5.954 6.272 1.00 0.00 C ATOM 946 CG LYS A 64 0.710 7.213 7.020 1.00 0.00 C ATOM 947 CD LYS A 64 1.076 8.465 6.242 1.00 0.00 C ATOM 948 CE LYS A 64 0.563 9.720 6.930 1.00 0.00 C ATOM 949 NZ LYS A 64 -0.858 10.000 6.584 1.00 0.00 N ATOM 0 H LYS A 64 3.220 6.510 4.886 1.00 0.00 H new ATOM 0 HA LYS A 64 2.730 5.616 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.022 6.134 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.412 5.156 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.364 7.200 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.202 7.231 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.159 8.524 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.660 8.404 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.658 9.607 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.181 10.570 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.171 10.863 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.945 10.133 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.452 9.200 6.881 1.00 0.00 H new ATOM 963 N HIS A 65 2.283 3.147 7.181 1.00 0.00 N ATOM 964 CA HIS A 65 2.365 1.705 6.982 1.00 0.00 C ATOM 965 C HIS A 65 1.097 1.015 7.474 1.00 0.00 C ATOM 966 O HIS A 65 0.809 1.005 8.672 1.00 0.00 O ATOM 967 CB HIS A 65 3.584 1.136 7.710 1.00 0.00 C ATOM 968 CG HIS A 65 3.564 1.374 9.189 1.00 0.00 C ATOM 969 ND1 HIS A 65 3.183 0.413 10.101 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.880 2.473 9.912 1.00 0.00 C ATOM 971 CE1 HIS A 65 3.265 0.910 11.321 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.686 2.159 11.236 1.00 0.00 N ATOM 0 H HIS A 65 1.903 3.427 8.085 1.00 0.00 H new ATOM 0 HA HIS A 65 2.469 1.517 5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.640 0.064 7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.487 1.580 7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.221 3.420 9.522 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.028 0.384 12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.842 2.788 12.024 1.00 0.00 H new ATOM 981 N TYR A 66 0.342 0.440 6.544 1.00 0.00 N ATOM 982 CA TYR A 66 -0.897 -0.248 6.883 1.00 0.00 C ATOM 983 C TYR A 66 -0.698 -1.761 6.880 1.00 0.00 C ATOM 984 O TYR A 66 0.175 -2.283 6.186 1.00 0.00 O ATOM 985 CB TYR A 66 -2.003 0.134 5.899 1.00 0.00 C ATOM 986 CG TYR A 66 -2.332 1.610 5.901 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.965 2.199 6.988 1.00 0.00 C ATOM 988 CD2 TYR A 66 -2.013 2.414 4.814 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.268 3.546 6.994 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.310 3.763 4.811 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.939 4.325 5.904 1.00 0.00 C ATOM 992 OH TYR A 66 -3.237 5.667 5.904 1.00 0.00 O ATOM 0 H TYR A 66 0.567 0.437 5.549 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.191 0.060 7.886 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.701 -0.161 4.894 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.904 -0.431 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.225 1.593 7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.524 1.977 3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.760 3.988 7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.052 4.374 3.959 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.937 6.069 5.062 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.515 -2.460 7.661 1.00 0.00 N ATOM 1003 CA HIS A 67 -1.431 -3.914 7.749 1.00 0.00 C ATOM 1004 C HIS A 67 -2.719 -4.563 7.251 1.00 0.00 C ATOM 1005 O HIS A 67 -3.805 -4.000 7.390 1.00 0.00 O ATOM 1006 CB HIS A 67 -1.153 -4.344 9.189 1.00 0.00 C ATOM 1007 CG HIS A 67 0.225 -3.997 9.662 1.00 0.00 C ATOM 1008 ND1 HIS A 67 0.475 -3.011 10.594 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.432 -4.512 9.328 1.00 0.00 C ATOM 1010 CE1 HIS A 67 1.775 -2.933 10.811 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.379 -3.833 10.056 1.00 0.00 N ATOM 0 H HIS A 67 -2.243 -2.044 8.242 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.609 -4.245 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.883 -3.874 9.847 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.296 -5.421 9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.616 -5.308 8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.262 -2.249 11.491 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.385 -3.997 10.019 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.590 -5.752 6.670 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.744 -6.479 6.153 1.00 0.00 C ATOM 1022 C VAL A 68 -4.117 -7.641 7.066 1.00 0.00 C ATOM 1023 O VAL A 68 -3.466 -8.687 7.056 1.00 0.00 O ATOM 1024 CB VAL A 68 -3.476 -7.020 4.735 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.674 -7.809 4.229 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -3.138 -5.881 3.786 1.00 0.00 C ATOM 0 H VAL A 68 -1.699 -6.232 6.546 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.572 -5.772 6.115 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.620 -7.693 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.466 -8.183 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.865 -8.649 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.550 -7.161 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.952 -6.281 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.973 -5.181 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.247 -5.363 4.142 1.00 0.00 H new ATOM 1036 N HIS A 69 -5.169 -7.452 7.856 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.631 -8.485 8.775 1.00 0.00 C ATOM 1038 C HIS A 69 -6.435 -9.550 8.037 1.00 0.00 C ATOM 1039 O HIS A 69 -7.137 -9.255 7.068 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.481 -7.867 9.886 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.823 -6.705 10.566 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.503 -6.713 10.962 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -6.313 -5.493 10.918 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.209 -5.557 11.530 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.290 -4.799 11.516 1.00 0.00 N ATOM 0 H HIS A 69 -5.718 -6.592 7.878 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.755 -8.959 9.218 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.432 -7.541 9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.706 -8.632 10.629 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.320 -5.138 10.758 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.248 -5.279 11.937 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.355 -3.852 11.889 1.00 0.00 H new ATOM 1054 N THR A 70 -6.328 -10.792 8.500 1.00 0.00 N ATOM 1055 CA THR A 70 -7.045 -11.902 7.882 1.00 0.00 C ATOM 1056 C THR A 70 -8.272 -12.287 8.699 1.00 0.00 C ATOM 1057 O THR A 70 -8.206 -12.398 9.922 1.00 0.00 O ATOM 1058 CB THR A 70 -6.137 -13.137 7.726 1.00 0.00 C ATOM 1059 OG1 THR A 70 -4.866 -12.748 7.195 1.00 0.00 O ATOM 1060 CG2 THR A 70 -6.781 -14.169 6.812 1.00 0.00 C ATOM 0 H THR A 70 -5.752 -11.055 9.300 1.00 0.00 H new ATOM 0 HA THR A 70 -7.362 -11.565 6.895 1.00 0.00 H new ATOM 0 HB THR A 70 -5.996 -13.584 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.295 -13.539 7.101 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.122 -15.032 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.734 -14.485 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.948 -13.730 5.829 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.393 -12.491 8.014 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.637 -12.864 8.677 1.00 0.00 C ATOM 1070 C ASN A 71 -10.758 -14.381 8.793 1.00 0.00 C ATOM 1071 O ASN A 71 -10.026 -15.123 8.140 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.837 -12.303 7.909 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.048 -12.101 8.799 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.500 -13.028 9.470 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -13.581 -10.885 8.805 1.00 0.00 N ATOM 0 H ASN A 71 -9.465 -12.404 7.000 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.626 -12.440 9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.561 -11.352 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.095 -12.982 7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.399 -10.690 9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.173 -10.146 8.232 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.687 -14.832 9.629 1.00 0.00 N ATOM 1083 CA ALA A 72 -11.906 -16.259 9.830 1.00 0.00 C ATOM 1084 C ALA A 72 -12.049 -16.985 8.497 1.00 0.00 C ATOM 1085 O ALA A 72 -11.579 -18.112 8.340 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.137 -16.488 10.693 1.00 0.00 C ATOM 0 H ALA A 72 -12.300 -14.230 10.178 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.035 -16.666 10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.288 -17.558 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.996 -16.010 11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.011 -16.060 10.201 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.701 -16.332 7.540 1.00 0.00 N ATOM 1093 CA GLU A 73 -12.907 -16.918 6.220 1.00 0.00 C ATOM 1094 C GLU A 73 -11.740 -16.593 5.292 1.00 0.00 C ATOM 1095 O GLU A 73 -11.884 -16.600 4.071 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.214 -16.410 5.610 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.456 -17.041 6.218 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.607 -17.128 5.235 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -16.564 -18.003 4.346 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.552 -16.320 5.356 1.00 0.00 O ATOM 0 H GLU A 73 -13.095 -15.398 7.654 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.966 -18.000 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.268 -15.329 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.205 -16.606 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.213 -18.041 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.767 -16.459 7.085 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.584 -16.308 5.883 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.391 -15.979 5.111 1.00 0.00 C ATOM 1109 C ASN A 74 -9.611 -14.717 4.283 1.00 0.00 C ATOM 1110 O ASN A 74 -9.024 -14.552 3.213 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.015 -17.144 4.194 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.427 -18.315 4.958 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -8.786 -18.563 6.109 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -7.517 -19.041 4.320 1.00 0.00 N ATOM 0 H ASN A 74 -10.448 -16.298 6.894 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.575 -15.797 5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.900 -17.476 3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.295 -16.800 3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.086 -19.840 4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.249 -18.799 3.366 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.459 -13.826 4.786 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.756 -12.576 4.095 1.00 0.00 C ATOM 1123 C LYS A 75 -9.683 -11.530 4.379 1.00 0.00 C ATOM 1124 O LYS A 75 -9.271 -11.344 5.525 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.126 -12.047 4.523 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.235 -13.080 4.428 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.583 -12.430 4.166 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.720 -13.245 4.762 1.00 0.00 C ATOM 1129 NZ LYS A 75 -15.784 -13.109 6.244 1.00 0.00 N ATOM 0 H LYS A 75 -10.953 -13.946 5.670 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.769 -12.775 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.063 -11.688 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.385 -11.190 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.009 -13.785 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.280 -13.653 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.592 -11.426 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.734 -12.324 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.665 -12.921 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.591 -14.295 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.071 -14.016 6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.848 -12.839 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.478 -12.376 6.496 1.00 0.00 H new ATOM 1143 N LEU A 76 -9.237 -10.847 3.331 1.00 0.00 N ATOM 1144 CA LEU A 76 -8.212 -9.817 3.468 1.00 0.00 C ATOM 1145 C LEU A 76 -8.832 -8.425 3.430 1.00 0.00 C ATOM 1146 O LEU A 76 -9.747 -8.163 2.648 1.00 0.00 O ATOM 1147 CB LEU A 76 -7.171 -9.955 2.355 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.696 -11.376 2.053 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -6.059 -11.444 0.673 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.717 -11.850 3.118 1.00 0.00 C ATOM 0 H LEU A 76 -9.569 -10.987 2.377 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.723 -9.951 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.587 -9.531 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.303 -9.352 2.620 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.562 -12.038 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.727 -12.463 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.789 -11.148 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.204 -10.770 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.390 -12.864 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.853 -11.186 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.206 -11.841 4.092 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.328 -7.535 4.277 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.832 -6.169 4.341 1.00 0.00 C ATOM 1164 C TYR A 77 -7.797 -5.234 4.960 1.00 0.00 C ATOM 1165 O TYR A 77 -7.038 -5.629 5.846 1.00 0.00 O ATOM 1166 CB TYR A 77 -10.129 -6.118 5.150 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.016 -6.756 6.517 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.020 -8.138 6.662 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -9.905 -5.977 7.661 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -9.918 -8.725 7.909 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -9.801 -6.555 8.911 1.00 0.00 C ATOM 1172 CZ TYR A 77 -9.807 -7.928 9.030 1.00 0.00 C ATOM 1173 OH TYR A 77 -9.704 -8.509 10.274 1.00 0.00 O ATOM 0 H TYR A 77 -7.570 -7.735 4.929 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.033 -5.836 3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.433 -5.078 5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.918 -6.619 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.104 -8.764 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.900 -4.901 7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.925 -9.801 8.006 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.715 -5.934 9.791 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.632 -7.810 10.957 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.774 -3.993 4.488 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.834 -2.999 4.995 1.00 0.00 C ATOM 1185 C LEU A 78 -7.513 -2.062 5.988 1.00 0.00 C ATOM 1186 O LEU A 78 -6.862 -1.488 6.860 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.241 -2.192 3.839 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.030 -2.812 3.138 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.726 -2.072 1.845 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.819 -2.801 4.059 1.00 0.00 C ATOM 0 H LEU A 78 -8.395 -3.651 3.755 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.032 -3.526 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.022 -2.031 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.954 -1.211 4.217 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.266 -3.848 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.862 -2.527 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.588 -2.131 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.510 -1.027 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.967 -3.245 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.581 -1.774 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.040 -3.376 4.958 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.827 -1.915 5.850 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.595 -1.051 6.738 1.00 0.00 C ATOM 1204 C ALA A 79 -10.662 -1.844 7.487 1.00 0.00 C ATOM 1205 O ALA A 79 -11.364 -2.665 6.899 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.234 0.082 5.949 1.00 0.00 C ATOM 0 H ALA A 79 -9.381 -2.383 5.133 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.911 -0.627 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.804 0.719 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.456 0.672 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.900 -0.332 5.192 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.775 -1.592 8.788 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.755 -2.284 9.617 1.00 0.00 C ATOM 1214 C GLU A 80 -13.169 -2.062 9.088 1.00 0.00 C ATOM 1215 O GLU A 80 -13.493 -0.987 8.585 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.659 -1.804 11.067 1.00 0.00 C ATOM 1217 CG GLU A 80 -10.262 -1.910 11.653 1.00 0.00 C ATOM 1218 CD GLU A 80 -10.223 -1.584 13.133 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -10.031 -0.399 13.474 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -10.386 -2.515 13.949 1.00 0.00 O ATOM 0 H GLU A 80 -10.201 -0.915 9.290 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.536 -3.351 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.988 -0.766 11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.346 -2.387 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.883 -2.920 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.596 -1.233 11.118 1.00 0.00 H new ATOM 1227 N ASN A 81 -14.006 -3.087 9.205 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.385 -3.006 8.738 1.00 0.00 C ATOM 1229 C ASN A 81 -15.447 -3.048 7.214 1.00 0.00 C ATOM 1230 O ASN A 81 -16.345 -2.469 6.603 1.00 0.00 O ATOM 1231 CB ASN A 81 -16.044 -1.724 9.251 1.00 0.00 C ATOM 1232 CG ASN A 81 -15.518 -1.307 10.611 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.793 -1.956 11.620 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -14.755 -0.221 10.643 1.00 0.00 N ATOM 0 H ASN A 81 -13.753 -3.984 9.619 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.926 -3.867 9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -15.872 -0.919 8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -17.122 -1.872 9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.371 0.106 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.553 0.286 9.781 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.485 -3.735 6.607 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.429 -3.851 5.155 1.00 0.00 C ATOM 1243 C TYR A 82 -13.740 -5.146 4.738 1.00 0.00 C ATOM 1244 O TYR A 82 -12.767 -5.574 5.362 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.692 -2.653 4.555 1.00 0.00 C ATOM 1246 CG TYR A 82 -14.576 -1.445 4.338 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -15.337 -1.316 3.182 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.650 -0.433 5.288 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -16.146 -0.213 2.980 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.456 0.671 5.094 1.00 0.00 C ATOM 1251 CZ TYR A 82 -16.203 0.776 3.938 1.00 0.00 C ATOM 1252 OH TYR A 82 -17.006 1.876 3.741 1.00 0.00 O ATOM 0 H TYR A 82 -13.734 -4.220 7.098 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.452 -3.867 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.869 -2.377 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.253 -2.947 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.296 -2.090 2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.067 -0.512 6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.730 -0.127 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.502 1.448 5.843 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.932 2.477 4.511 1.00 0.00 H new ATOM 1262 N CYS A 83 -14.250 -5.767 3.680 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.684 -7.013 3.178 1.00 0.00 C ATOM 1264 C CYS A 83 -13.498 -6.957 1.666 1.00 0.00 C ATOM 1265 O CYS A 83 -14.338 -6.416 0.946 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.585 -8.193 3.550 1.00 0.00 C ATOM 1267 SG CYS A 83 -14.721 -8.486 5.328 1.00 0.00 S ATOM 0 H CYS A 83 -15.055 -5.427 3.153 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.707 -7.151 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -15.581 -8.017 3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.201 -9.094 3.072 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.504 -9.501 5.542 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.392 -7.519 1.189 1.00 0.00 N ATOM 1274 CA PHE A 84 -12.095 -7.530 -0.238 1.00 0.00 C ATOM 1275 C PHE A 84 -11.906 -8.958 -0.743 1.00 0.00 C ATOM 1276 O PHE A 84 -12.050 -9.918 0.012 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.838 -6.706 -0.526 1.00 0.00 C ATOM 1278 CG PHE A 84 -11.032 -5.229 -0.331 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -11.038 -4.679 0.941 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -11.208 -4.391 -1.420 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -11.218 -3.320 1.123 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.387 -3.031 -1.244 1.00 0.00 C ATOM 1283 CZ PHE A 84 -11.391 -2.496 0.029 1.00 0.00 C ATOM 0 H PHE A 84 -11.687 -7.973 1.770 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.941 -7.086 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.032 -7.048 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.520 -6.890 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.901 -5.319 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.205 -4.804 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.223 -2.904 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.523 -2.388 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.529 -1.434 0.169 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.584 -9.086 -2.026 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.376 -10.396 -2.633 1.00 0.00 C ATOM 1295 C ASP A 85 -9.953 -10.888 -2.390 1.00 0.00 C ATOM 1296 O ASP A 85 -9.740 -12.041 -2.016 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.657 -10.336 -4.136 1.00 0.00 C ATOM 1298 CG ASP A 85 -13.062 -9.855 -4.442 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -13.989 -10.209 -3.685 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -13.234 -9.125 -5.441 1.00 0.00 O ATOM 0 H ASP A 85 -11.462 -8.300 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.069 -11.098 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.936 -9.671 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.512 -11.325 -4.570 1.00 0.00 H new ATOM 1305 N SER A 86 -8.982 -10.005 -2.604 1.00 0.00 N ATOM 1306 CA SER A 86 -7.578 -10.351 -2.411 1.00 0.00 C ATOM 1307 C SER A 86 -6.710 -9.097 -2.373 1.00 0.00 C ATOM 1308 O SER A 86 -7.210 -7.980 -2.508 1.00 0.00 O ATOM 1309 CB SER A 86 -7.102 -11.280 -3.530 1.00 0.00 C ATOM 1310 OG SER A 86 -6.040 -12.107 -3.089 1.00 0.00 O ATOM 0 H SER A 86 -9.142 -9.045 -2.911 1.00 0.00 H new ATOM 0 HA SER A 86 -7.484 -10.866 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.932 -11.899 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.775 -10.687 -4.384 1.00 0.00 H new ATOM 0 HG SER A 86 -5.755 -12.692 -3.822 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.410 -9.291 -2.187 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.471 -8.177 -2.132 1.00 0.00 C ATOM 1318 C ILE A 87 -4.509 -7.362 -3.419 1.00 0.00 C ATOM 1319 O ILE A 87 -4.784 -6.161 -3.415 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.030 -8.666 -1.889 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.731 -8.714 -0.389 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.038 -7.762 -2.604 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.453 -7.356 0.216 1.00 0.00 C ATOM 0 H ILE A 87 -4.982 -10.210 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.778 -7.547 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.930 -9.674 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.578 -9.166 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.871 -9.361 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.024 -8.120 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.241 -7.774 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.136 -6.744 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.250 -7.467 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.588 -6.910 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.321 -6.711 0.078 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.230 -8.028 -4.550 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.229 -7.384 -5.867 1.00 0.00 C ATOM 1337 C PRO A 88 -5.631 -6.998 -6.326 1.00 0.00 C ATOM 1338 O PRO A 88 -5.800 -6.091 -7.142 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.643 -8.459 -6.786 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.949 -9.749 -6.104 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.895 -9.459 -4.629 1.00 0.00 C ATOM 0 HA PRO A 88 -3.665 -6.451 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.092 -8.419 -7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.569 -8.325 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.932 -10.120 -6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.225 -10.517 -6.378 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.607 -10.070 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.908 -9.664 -4.215 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.633 -7.689 -5.795 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.022 -7.418 -6.147 1.00 0.00 C ATOM 1351 C LYS A 89 -8.569 -6.246 -5.340 1.00 0.00 C ATOM 1352 O LYS A 89 -9.643 -5.721 -5.638 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.882 -8.661 -5.909 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.614 -9.785 -6.895 1.00 0.00 C ATOM 1355 CD LYS A 89 -9.816 -10.705 -7.032 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.863 -10.119 -7.965 1.00 0.00 C ATOM 1357 NZ LYS A 89 -10.373 -10.042 -9.370 1.00 0.00 N ATOM 0 H LYS A 89 -6.509 -8.442 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.058 -7.156 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.705 -9.027 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.934 -8.381 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.364 -9.364 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.749 -10.361 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.492 -11.675 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.257 -10.877 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.765 -10.730 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.139 -9.122 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.185 -10.002 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.792 -9.187 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.799 -10.883 -9.584 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.824 -5.838 -4.318 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.234 -4.725 -3.469 1.00 0.00 C ATOM 1373 C LEU A 90 -7.728 -3.399 -4.027 1.00 0.00 C ATOM 1374 O LEU A 90 -8.494 -2.447 -4.184 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.711 -4.925 -2.046 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.982 -3.784 -1.064 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.116 -4.320 0.353 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.877 -2.741 -1.140 1.00 0.00 C ATOM 0 H LEU A 90 -6.933 -6.261 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.323 -4.697 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.152 -5.837 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.634 -5.087 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.923 -3.308 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.309 -3.494 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.943 -5.028 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.192 -4.822 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.087 -1.937 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.922 -3.204 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.829 -2.334 -2.150 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.434 -3.343 -4.326 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.827 -2.135 -4.870 1.00 0.00 C ATOM 1392 C ILE A 91 -6.679 -1.549 -5.990 1.00 0.00 C ATOM 1393 O ILE A 91 -6.876 -0.335 -6.066 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.410 -2.409 -5.408 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.609 -3.233 -4.398 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.698 -1.101 -5.716 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.899 -2.872 -2.958 1.00 0.00 C ATOM 0 H ILE A 91 -5.786 -4.121 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.763 -1.418 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.492 -2.981 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.827 -4.290 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.545 -3.095 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.698 -1.312 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.262 -0.548 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.623 -0.505 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.296 -3.496 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.655 -1.823 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.956 -3.037 -2.747 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.184 -2.418 -6.860 1.00 0.00 N ATOM 1410 CA HIS A 92 -8.017 -1.986 -7.976 1.00 0.00 C ATOM 1411 C HIS A 92 -9.101 -1.021 -7.504 1.00 0.00 C ATOM 1412 O HIS A 92 -9.435 -0.060 -8.197 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.657 -3.195 -8.660 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.265 -2.878 -9.991 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -10.625 -2.757 -10.188 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -8.691 -2.656 -11.197 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -10.860 -2.474 -11.457 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -9.703 -2.407 -12.090 1.00 0.00 N ATOM 0 H HIS A 92 -7.031 -3.425 -6.813 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.380 -1.467 -8.693 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.902 -3.970 -8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.427 -3.606 -8.007 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.633 -2.672 -11.416 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.833 -2.323 -11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.581 -2.203 -13.082 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.648 -1.286 -6.323 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.695 -0.443 -5.759 1.00 0.00 C ATOM 1429 C TYR A 93 -10.115 0.862 -5.222 1.00 0.00 C ATOM 1430 O TYR A 93 -10.436 1.945 -5.711 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.431 -1.185 -4.642 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.591 -2.021 -5.132 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.811 -1.434 -5.451 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.470 -3.397 -5.279 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.874 -2.193 -5.899 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -13.528 -4.165 -5.728 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.728 -3.559 -6.036 1.00 0.00 C ATOM 1438 OH TYR A 93 -15.785 -4.318 -6.483 1.00 0.00 O ATOM 0 H TYR A 93 -9.384 -2.078 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.401 -0.205 -6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.725 -1.830 -4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.798 -0.460 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.929 -0.366 -5.346 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.532 -3.875 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.815 -1.721 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.416 -5.234 -5.837 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.517 -5.260 -6.524 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.259 0.749 -4.211 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.632 1.919 -3.607 1.00 0.00 C ATOM 1450 C HIS A 94 -7.995 2.806 -4.672 1.00 0.00 C ATOM 1451 O HIS A 94 -8.367 3.968 -4.829 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.577 1.489 -2.588 1.00 0.00 C ATOM 1453 CG HIS A 94 -8.156 0.908 -1.334 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.243 1.609 -0.151 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.682 -0.315 -1.086 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.796 0.842 0.773 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -9.071 -0.331 0.230 1.00 0.00 N ATOM 0 H HIS A 94 -8.984 -0.140 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.406 2.493 -3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.918 0.753 -3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.962 2.351 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.778 -1.127 -1.792 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.990 1.126 1.797 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.502 -1.120 0.711 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.033 2.249 -5.402 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.343 2.990 -6.451 1.00 0.00 C ATOM 1468 C GLN A 95 -7.300 3.940 -7.164 1.00 0.00 C ATOM 1469 O GLN A 95 -7.094 5.154 -7.173 1.00 0.00 O ATOM 1470 CB GLN A 95 -5.718 2.025 -7.460 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.501 2.593 -8.171 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.311 2.011 -9.558 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.778 0.909 -9.850 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -3.622 2.748 -10.421 1.00 0.00 N ATOM 0 H GLN A 95 -6.714 1.287 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.553 3.579 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.432 1.108 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.468 1.753 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.601 3.676 -8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.611 2.396 -7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.253 3.655 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.461 2.407 -11.369 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.347 3.380 -7.762 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.336 4.179 -8.477 1.00 0.00 C ATOM 1485 C HIS A 96 -9.978 5.206 -7.551 1.00 0.00 C ATOM 1486 O HIS A 96 -10.156 6.366 -7.922 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.412 3.275 -9.081 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.090 2.804 -10.466 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -9.880 3.663 -11.524 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.940 1.553 -10.963 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -9.618 2.961 -12.612 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.648 1.679 -12.299 1.00 0.00 N ATOM 0 H HIS A 96 -8.532 2.377 -7.766 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.826 4.711 -9.280 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.552 2.408 -8.435 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.359 3.814 -9.100 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.033 0.629 -10.412 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.414 3.367 -13.592 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.481 0.907 -12.945 1.00 0.00 H new ATOM 1501 N ASN A 97 -10.327 4.771 -6.345 1.00 0.00 N ATOM 1502 CA ASN A 97 -10.952 5.653 -5.365 1.00 0.00 C ATOM 1503 C ASN A 97 -10.838 5.072 -3.959 1.00 0.00 C ATOM 1504 O ASN A 97 -11.190 3.916 -3.724 1.00 0.00 O ATOM 1505 CB ASN A 97 -12.423 5.880 -5.718 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.171 4.580 -5.940 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -13.756 4.021 -5.012 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.155 4.092 -7.175 1.00 0.00 N ATOM 0 H ASN A 97 -10.188 3.813 -6.022 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.428 6.609 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.904 6.440 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.488 6.492 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.641 3.220 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.657 4.589 -7.913 1.00 0.00 H new ATOM 1515 N SER A 98 -10.344 5.882 -3.028 1.00 0.00 N ATOM 1516 CA SER A 98 -10.181 5.447 -1.646 1.00 0.00 C ATOM 1517 C SER A 98 -11.457 4.788 -1.129 1.00 0.00 C ATOM 1518 O SER A 98 -12.482 4.777 -1.810 1.00 0.00 O ATOM 1519 CB SER A 98 -9.811 6.634 -0.756 1.00 0.00 C ATOM 1520 OG SER A 98 -10.012 6.328 0.614 1.00 0.00 O ATOM 0 H SER A 98 -10.050 6.842 -3.206 1.00 0.00 H new ATOM 0 HA SER A 98 -9.376 4.713 -1.615 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.768 6.906 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.414 7.500 -1.030 1.00 0.00 H new ATOM 0 HG SER A 98 -9.147 6.156 1.041 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.384 4.239 0.079 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.533 3.580 0.689 1.00 0.00 C ATOM 1528 C ALA A 99 -12.877 4.210 2.035 1.00 0.00 C ATOM 1529 O ALA A 99 -13.996 4.675 2.246 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.261 2.093 0.854 1.00 0.00 C ATOM 0 H ALA A 99 -10.542 4.237 0.655 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.389 3.711 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.127 1.613 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.072 1.647 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.389 1.951 1.492 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.906 4.220 2.944 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.126 4.795 4.258 1.00 0.00 C ATOM 1538 C GLY A 100 -11.015 5.738 4.672 1.00 0.00 C ATOM 1539 O GLY A 100 -10.848 6.806 4.085 1.00 0.00 O ATOM 0 H GLY A 100 -10.971 3.840 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.074 5.332 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.211 3.994 4.992 1.00 0.00 H new ATOM 1543 N MET A 101 -10.254 5.343 5.689 1.00 0.00 N ATOM 1544 CA MET A 101 -9.153 6.162 6.181 1.00 0.00 C ATOM 1545 C MET A 101 -7.870 5.868 5.410 1.00 0.00 C ATOM 1546 O MET A 101 -6.796 6.354 5.767 1.00 0.00 O ATOM 1547 CB MET A 101 -8.933 5.913 7.675 1.00 0.00 C ATOM 1548 CG MET A 101 -8.488 4.496 7.995 1.00 0.00 C ATOM 1549 SD MET A 101 -6.712 4.260 7.789 1.00 0.00 S ATOM 1550 CE MET A 101 -6.466 2.733 8.689 1.00 0.00 C ATOM 0 H MET A 101 -10.380 4.462 6.187 1.00 0.00 H new ATOM 0 HA MET A 101 -9.415 7.209 6.029 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.184 6.613 8.045 1.00 0.00 H new ATOM 0 HB3 MET A 101 -9.859 6.124 8.210 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.766 4.256 9.021 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.020 3.798 7.349 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.413 2.455 8.653 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.770 2.869 9.727 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.066 1.943 8.236 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.988 5.072 4.354 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.838 4.715 3.534 1.00 0.00 C ATOM 1562 C ILE A 102 -6.589 5.760 2.451 1.00 0.00 C ATOM 1563 O ILE A 102 -7.380 5.903 1.517 1.00 0.00 O ATOM 1564 CB ILE A 102 -7.026 3.338 2.869 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.361 2.281 3.923 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.774 2.946 2.098 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.242 2.035 4.910 1.00 0.00 C ATOM 0 H ILE A 102 -8.869 4.661 4.046 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.976 4.673 4.200 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.857 3.401 2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.253 2.592 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.605 1.344 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.923 1.971 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.575 3.689 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.926 2.897 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.550 1.274 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.355 1.693 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.013 2.960 5.439 1.00 0.00 H new ATOM 1579 N THR A 103 -5.484 6.488 2.581 1.00 0.00 N ATOM 1580 CA THR A 103 -5.131 7.519 1.614 1.00 0.00 C ATOM 1581 C THR A 103 -5.443 7.069 0.191 1.00 0.00 C ATOM 1582 O THR A 103 -5.403 5.878 -0.115 1.00 0.00 O ATOM 1583 CB THR A 103 -3.639 7.890 1.709 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.386 8.600 2.926 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.216 8.740 0.520 1.00 0.00 C ATOM 0 H THR A 103 -4.819 6.382 3.347 1.00 0.00 H new ATOM 0 HA THR A 103 -5.732 8.396 1.853 1.00 0.00 H new ATOM 0 HB THR A 103 -3.057 6.968 1.701 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.435 8.830 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.159 8.990 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.381 8.183 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.805 9.657 0.500 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.750 8.030 -0.674 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.069 7.731 -2.065 1.00 0.00 C ATOM 1595 C ARG A 104 -4.797 7.514 -2.879 1.00 0.00 C ATOM 1596 O ARG A 104 -4.170 8.470 -3.338 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.891 8.867 -2.677 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.624 8.472 -3.949 1.00 0.00 C ATOM 1599 CD ARG A 104 -6.731 8.615 -5.172 1.00 0.00 C ATOM 1600 NE ARG A 104 -7.429 8.254 -6.403 1.00 0.00 N ATOM 1601 CZ ARG A 104 -6.811 7.991 -7.549 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -5.488 8.048 -7.620 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -7.514 7.670 -8.627 1.00 0.00 N ATOM 0 H ARG A 104 -5.785 9.021 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.656 6.813 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.617 9.215 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.230 9.706 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.969 7.441 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.510 9.096 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.377 9.643 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.851 7.982 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.447 8.201 -6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.943 8.294 -6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.015 7.846 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.532 7.625 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.037 7.469 -9.506 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.422 6.252 -3.055 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.223 5.909 -3.814 1.00 0.00 C ATOM 1619 C LEU A 105 -3.085 6.798 -5.044 1.00 0.00 C ATOM 1620 O LEU A 105 -3.978 6.850 -5.890 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.268 4.439 -4.237 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.720 3.446 -3.164 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.448 2.018 -3.611 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.025 3.735 -1.842 1.00 0.00 C ATOM 0 H LEU A 105 -4.930 5.449 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.357 6.071 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.937 4.348 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.274 4.149 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.794 3.561 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.776 1.325 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.993 1.815 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.380 1.889 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.359 3.019 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.946 3.648 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.271 4.745 -1.515 1.00 0.00 H new ATOM 1636 N ARG A 106 -1.959 7.498 -5.139 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.702 8.386 -6.266 1.00 0.00 C ATOM 1638 C ARG A 106 -1.034 7.630 -7.412 1.00 0.00 C ATOM 1639 O ARG A 106 -1.389 7.809 -8.577 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.820 9.557 -5.830 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.553 10.563 -6.938 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.724 11.515 -7.120 1.00 0.00 C ATOM 1643 NE ARG A 106 -1.449 12.534 -8.129 1.00 0.00 N ATOM 1644 CZ ARG A 106 -0.674 13.592 -7.915 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -0.100 13.767 -6.732 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -0.472 14.476 -8.883 1.00 0.00 N ATOM 0 H ARG A 106 -1.209 7.467 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.659 8.773 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.297 10.068 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.131 9.169 -5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.347 11.132 -6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.363 10.035 -7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.610 10.949 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.950 11.998 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.876 12.428 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.253 13.089 -5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.495 14.579 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.912 14.344 -9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.123 15.287 -8.717 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.066 6.786 -7.072 1.00 0.00 N ATOM 1661 CA HIS A 107 0.651 6.003 -8.072 1.00 0.00 C ATOM 1662 C HIS A 107 1.459 4.889 -7.413 1.00 0.00 C ATOM 1663 O HIS A 107 1.941 5.021 -6.287 1.00 0.00 O ATOM 1664 CB HIS A 107 1.577 6.905 -8.888 1.00 0.00 C ATOM 1665 CG HIS A 107 0.928 7.483 -10.107 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.513 6.716 -11.175 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.620 8.763 -10.424 1.00 0.00 C ATOM 1668 CE1 HIS A 107 -0.020 7.498 -12.097 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.033 8.745 -11.665 1.00 0.00 N ATOM 0 H HIS A 107 0.240 6.627 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.083 5.550 -8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.930 7.718 -8.254 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.454 6.333 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.802 9.636 -9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.429 7.173 -13.042 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.307 9.562 -12.171 1.00 0.00 H new ATOM 1678 N PRO A 108 1.610 3.764 -8.128 1.00 0.00 N ATOM 1679 CA PRO A 108 2.359 2.605 -7.632 1.00 0.00 C ATOM 1680 C PRO A 108 3.858 2.873 -7.554 1.00 0.00 C ATOM 1681 O PRO A 108 4.404 3.638 -8.349 1.00 0.00 O ATOM 1682 CB PRO A 108 2.062 1.521 -8.671 1.00 0.00 C ATOM 1683 CG PRO A 108 1.738 2.269 -9.917 1.00 0.00 C ATOM 1684 CD PRO A 108 1.062 3.537 -9.475 1.00 0.00 C ATOM 0 HA PRO A 108 2.067 2.334 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.920 0.865 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.229 0.892 -8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.641 2.487 -10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.085 1.684 -10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.287 4.367 -10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.022 3.428 -9.455 1.00 0.00 H new ATOM 1692 N VAL A 109 4.518 2.239 -6.590 1.00 0.00 N ATOM 1693 CA VAL A 109 5.955 2.408 -6.410 1.00 0.00 C ATOM 1694 C VAL A 109 6.625 1.082 -6.067 1.00 0.00 C ATOM 1695 O VAL A 109 6.110 0.304 -5.265 1.00 0.00 O ATOM 1696 CB VAL A 109 6.265 3.430 -5.300 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.761 3.490 -5.032 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.726 4.802 -5.674 1.00 0.00 C ATOM 0 H VAL A 109 4.081 1.604 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 109 6.352 2.778 -7.355 1.00 0.00 H new ATOM 0 HB VAL A 109 5.769 3.108 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.961 4.217 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.114 2.508 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.282 3.788 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.954 5.512 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.191 5.135 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.646 4.744 -5.810 1.00 0.00 H new ATOM 1708 N SER A 110 7.778 0.833 -6.680 1.00 0.00 N ATOM 1709 CA SER A 110 8.519 -0.401 -6.442 1.00 0.00 C ATOM 1710 C SER A 110 9.693 -0.156 -5.500 1.00 0.00 C ATOM 1711 O SER A 110 10.286 -1.097 -4.975 1.00 0.00 O ATOM 1712 CB SER A 110 9.023 -0.981 -7.765 1.00 0.00 C ATOM 1713 OG SER A 110 7.979 -1.058 -8.720 1.00 0.00 O ATOM 0 H SER A 110 8.219 1.469 -7.345 1.00 0.00 H new ATOM 0 HA SER A 110 7.844 -1.117 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.830 -0.360 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.438 -1.974 -7.595 1.00 0.00 H new ATOM 0 HG SER A 110 7.182 -1.446 -8.302 1.00 0.00 H new TER 1719 SER A 110