USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 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 84 HIS : no HD1:sc= -0.65 K(o=-0.75,f=-1.7!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= -0.099 (180deg=0) USER MOD Set 2.1: A 74 SER OG : rot 180:sc= -0.773! USER MOD Set 2.2: A 75 SER OG : rot 180:sc= -0.039 USER MOD Set 3.1: A 53 GLN : amide:sc= 0.0622 K(o=0.13,f=-1.4!) USER MOD Set 3.2: A 59 LYS NZ :NH3+ 152:sc= 0.0678 (180deg=0) USER MOD Set 4.1: A 36 SER OG : rot -170:sc= -2.09! USER MOD Set 4.2: A 42 SER OG : rot 171:sc= 1.1 USER MOD Single : A 17 ASN : amide:sc= -4.93! C(o=-4.9!,f=-8.5!) USER MOD Single : A 22 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.051) USER MOD Single : A 26 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.099) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 90:sc= -0.465 USER MOD Single : A 33 ASN : amide:sc= -13.6! C(o=-14!,f=-17!) USER MOD Single : A 37 ASN : amide:sc= -1.01 X(o=-1,f=-0.92) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -0.013 (180deg=-0.059) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 90:sc= -0.655! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 56 SER OG : rot -91:sc= 1.06 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 170:sc= -0.493 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.407 K(o=-0.41,f=-4.8!) USER MOD Single : A 80 SER OG : rot -132:sc= 0.245 USER MOD Single : A 89 MET CE :methyl 144:sc= -0.355 (180deg=-2.07!) USER MOD Single : A 92 TYR OH : rot 100:sc= -2.87! USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 100 TYR OH : rot -3:sc= 0.159 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.05 K(o=-1,f=-5.2!) USER MOD Single : A 107 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.8!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 105:sc= 0.0445 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -18.268 -4.032 16.591 1.00 0.00 N ATOM 2 CA GLY A 9 -18.740 -2.673 17.111 1.00 0.00 C ATOM 3 C GLY A 9 -17.813 -1.507 17.067 1.00 0.00 C ATOM 4 O GLY A 9 -18.202 -0.382 17.315 1.00 0.00 O ATOM 0 HA2 GLY A 9 -19.634 -2.401 16.549 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.045 -2.809 18.149 1.00 0.00 H new ATOM 7 N ALA A 10 -16.568 -1.738 16.753 1.00 0.00 N ATOM 8 CA ALA A 10 -15.595 -0.611 16.694 1.00 0.00 C ATOM 9 C ALA A 10 -14.404 -1.011 15.817 1.00 0.00 C ATOM 10 O ALA A 10 -14.343 -2.120 15.324 1.00 0.00 O ATOM 11 CB ALA A 10 -15.103 -0.291 18.108 1.00 0.00 C ATOM 0 H ALA A 10 -16.183 -2.657 16.535 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.080 0.268 16.269 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.391 0.533 18.068 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.950 -0.008 18.733 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.617 -1.170 18.532 1.00 0.00 H new ATOM 17 N PRO A 11 -13.495 -0.087 15.650 1.00 0.00 N ATOM 18 CA PRO A 11 -12.263 -0.284 14.831 1.00 0.00 C ATOM 19 C PRO A 11 -11.194 -1.023 15.644 1.00 0.00 C ATOM 20 O PRO A 11 -11.073 -0.840 16.837 1.00 0.00 O ATOM 21 CB PRO A 11 -11.822 1.141 14.525 1.00 0.00 C ATOM 22 CG PRO A 11 -12.406 2.034 15.614 1.00 0.00 C ATOM 23 CD PRO A 11 -13.577 1.280 16.255 1.00 0.00 C ATOM 0 HA PRO A 11 -12.428 -0.882 13.935 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.734 1.213 14.510 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.176 1.451 13.542 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.649 2.271 16.361 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.745 2.980 15.192 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.483 1.243 17.340 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.531 1.759 16.033 1.00 0.00 H new ATOM 31 N VAL A 12 -10.420 -1.856 15.005 1.00 0.00 N ATOM 32 CA VAL A 12 -9.363 -2.603 15.746 1.00 0.00 C ATOM 33 C VAL A 12 -8.136 -2.772 14.847 1.00 0.00 C ATOM 34 O VAL A 12 -8.240 -2.701 13.639 1.00 0.00 O ATOM 35 CB VAL A 12 -9.898 -3.979 16.148 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.252 -3.818 16.841 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.063 -4.848 14.900 1.00 0.00 C ATOM 0 H VAL A 12 -10.473 -2.052 14.005 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.083 -2.048 16.642 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.195 -4.456 16.831 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.633 -4.798 17.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.134 -3.200 17.731 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.955 -3.340 16.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.444 -5.828 15.187 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.765 -4.372 14.215 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.098 -4.964 14.407 1.00 0.00 H new ATOM 47 N PRO A 13 -7.007 -2.989 15.469 1.00 0.00 N ATOM 48 CA PRO A 13 -5.707 -3.176 14.765 1.00 0.00 C ATOM 49 C PRO A 13 -5.584 -4.608 14.243 1.00 0.00 C ATOM 50 O PRO A 13 -6.047 -5.545 14.865 1.00 0.00 O ATOM 51 CB PRO A 13 -4.680 -2.901 15.857 1.00 0.00 C ATOM 52 CG PRO A 13 -5.367 -3.165 17.192 1.00 0.00 C ATOM 53 CD PRO A 13 -6.880 -3.083 16.961 1.00 0.00 C ATOM 0 HA PRO A 13 -5.586 -2.529 13.896 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.809 -3.545 15.738 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.326 -1.872 15.803 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.091 -4.147 17.576 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.053 -2.432 17.935 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.393 -3.962 17.352 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.314 -2.214 17.455 1.00 0.00 H new ATOM 61 N VAL A 14 -4.969 -4.790 13.107 1.00 0.00 N ATOM 62 CA VAL A 14 -4.822 -6.159 12.554 1.00 0.00 C ATOM 63 C VAL A 14 -3.347 -6.561 12.564 1.00 0.00 C ATOM 64 O VAL A 14 -2.486 -5.824 12.126 1.00 0.00 O ATOM 65 CB VAL A 14 -5.337 -6.179 11.127 1.00 0.00 C ATOM 66 CG1 VAL A 14 -5.792 -7.592 10.759 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.511 -5.204 10.974 1.00 0.00 C ATOM 0 H VAL A 14 -4.562 -4.046 12.539 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.393 -6.860 13.163 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.532 -5.873 10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.161 -7.600 9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.951 -8.280 10.848 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.589 -7.905 11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.872 -5.227 9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.316 -5.496 11.648 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.180 -4.195 11.220 1.00 0.00 H new ATOM 77 N ASP A 15 -3.054 -7.723 13.069 1.00 0.00 N ATOM 78 CA ASP A 15 -1.640 -8.185 13.123 1.00 0.00 C ATOM 79 C ASP A 15 -1.514 -9.512 12.377 1.00 0.00 C ATOM 80 O ASP A 15 -1.046 -10.497 12.914 1.00 0.00 O ATOM 81 CB ASP A 15 -1.251 -8.389 14.592 1.00 0.00 C ATOM 82 CG ASP A 15 -2.268 -9.320 15.252 1.00 0.00 C ATOM 83 OD1 ASP A 15 -3.334 -8.845 15.607 1.00 0.00 O ATOM 84 OD2 ASP A 15 -1.965 -10.495 15.389 1.00 0.00 O ATOM 0 H ASP A 15 -3.737 -8.378 13.450 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.985 -7.447 12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.250 -8.816 14.661 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.225 -7.431 15.111 1.00 0.00 H new ATOM 89 N GLU A 16 -1.930 -9.543 11.147 1.00 0.00 N ATOM 90 CA GLU A 16 -1.832 -10.826 10.364 1.00 0.00 C ATOM 91 C GLU A 16 -2.776 -11.864 10.979 1.00 0.00 C ATOM 92 O GLU A 16 -2.499 -13.047 10.971 1.00 0.00 O ATOM 93 CB GLU A 16 -0.395 -11.349 10.432 1.00 0.00 C ATOM 94 CG GLU A 16 -0.221 -12.494 9.432 1.00 0.00 C ATOM 95 CD GLU A 16 0.632 -12.018 8.254 1.00 0.00 C ATOM 96 OE1 GLU A 16 1.386 -11.075 8.438 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.518 -12.603 7.190 1.00 0.00 O ATOM 0 H GLU A 16 -2.331 -8.752 10.644 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.109 -10.646 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.307 -10.546 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.170 -11.696 11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.254 -13.346 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.195 -12.832 9.077 1.00 0.00 H new ATOM 104 N ASN A 17 -3.887 -11.432 11.515 1.00 0.00 N ATOM 105 CA ASN A 17 -4.840 -12.390 12.129 1.00 0.00 C ATOM 106 C ASN A 17 -5.519 -13.216 11.036 1.00 0.00 C ATOM 107 O ASN A 17 -5.744 -14.399 11.189 1.00 0.00 O ATOM 108 CB ASN A 17 -5.894 -11.606 12.904 1.00 0.00 C ATOM 109 CG ASN A 17 -5.207 -10.544 13.764 1.00 0.00 C ATOM 110 OD1 ASN A 17 -4.187 -10.803 14.369 1.00 0.00 O ATOM 111 ND2 ASN A 17 -5.728 -9.350 13.845 1.00 0.00 N ATOM 0 H ASN A 17 -4.172 -10.453 11.552 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.306 -13.061 12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.593 -11.134 12.213 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.474 -12.280 13.534 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.278 -8.635 14.417 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.585 -9.132 13.337 1.00 0.00 H new ATOM 118 N ASP A 18 -5.851 -12.600 9.936 1.00 0.00 N ATOM 119 CA ASP A 18 -6.518 -13.354 8.837 1.00 0.00 C ATOM 120 C ASP A 18 -5.476 -13.769 7.796 1.00 0.00 C ATOM 121 O ASP A 18 -4.892 -12.942 7.125 1.00 0.00 O ATOM 122 CB ASP A 18 -7.573 -12.466 8.175 1.00 0.00 C ATOM 123 CG ASP A 18 -8.410 -13.305 7.209 1.00 0.00 C ATOM 124 OD1 ASP A 18 -9.071 -14.222 7.671 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.375 -13.019 6.025 1.00 0.00 O ATOM 0 H ASP A 18 -5.690 -11.610 9.750 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.997 -14.243 9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.214 -12.017 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.091 -11.648 7.640 1.00 0.00 H new ATOM 130 N GLU A 19 -5.245 -15.045 7.654 1.00 0.00 N ATOM 131 CA GLU A 19 -4.240 -15.512 6.647 1.00 0.00 C ATOM 132 C GLU A 19 -4.754 -15.183 5.234 1.00 0.00 C ATOM 133 O GLU A 19 -3.986 -14.883 4.341 1.00 0.00 O ATOM 134 CB GLU A 19 -4.012 -17.032 6.820 1.00 0.00 C ATOM 135 CG GLU A 19 -3.881 -17.722 5.462 1.00 0.00 C ATOM 136 CD GLU A 19 -2.667 -17.161 4.717 1.00 0.00 C ATOM 137 OE1 GLU A 19 -1.806 -16.595 5.372 1.00 0.00 O ATOM 138 OE2 GLU A 19 -2.618 -17.308 3.508 1.00 0.00 O ATOM 0 H GLU A 19 -5.704 -15.784 8.187 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.287 -15.004 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.111 -17.204 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.843 -17.468 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.772 -18.798 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.786 -17.565 4.874 1.00 0.00 H new ATOM 145 N GLY A 20 -6.042 -15.233 5.026 1.00 0.00 N ATOM 146 CA GLY A 20 -6.595 -14.924 3.677 1.00 0.00 C ATOM 147 C GLY A 20 -6.288 -13.467 3.317 1.00 0.00 C ATOM 148 O GLY A 20 -6.434 -13.056 2.185 1.00 0.00 O ATOM 0 H GLY A 20 -6.736 -15.475 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.161 -15.592 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.672 -15.092 3.667 1.00 0.00 H new ATOM 152 N LEU A 21 -5.877 -12.681 4.277 1.00 0.00 N ATOM 153 CA LEU A 21 -5.571 -11.246 3.997 1.00 0.00 C ATOM 154 C LEU A 21 -4.449 -11.133 2.957 1.00 0.00 C ATOM 155 O LEU A 21 -4.228 -10.082 2.387 1.00 0.00 O ATOM 156 CB LEU A 21 -5.133 -10.573 5.298 1.00 0.00 C ATOM 157 CG LEU A 21 -4.745 -9.123 5.021 1.00 0.00 C ATOM 158 CD1 LEU A 21 -5.875 -8.429 4.258 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.511 -8.408 6.350 1.00 0.00 C ATOM 0 H LEU A 21 -5.740 -12.971 5.245 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.461 -10.757 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.941 -10.610 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.288 -11.110 5.730 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.835 -9.092 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.598 -7.394 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.047 -8.945 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.786 -8.453 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.233 -7.371 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.424 -8.437 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.708 -8.905 6.894 1.00 0.00 H new ATOM 171 N GLN A 22 -3.744 -12.203 2.697 1.00 0.00 N ATOM 172 CA GLN A 22 -2.648 -12.151 1.693 1.00 0.00 C ATOM 173 C GLN A 22 -3.223 -11.801 0.319 1.00 0.00 C ATOM 174 O GLN A 22 -2.499 -11.493 -0.606 1.00 0.00 O ATOM 175 CB GLN A 22 -1.933 -13.502 1.654 1.00 0.00 C ATOM 176 CG GLN A 22 -0.503 -13.296 1.168 1.00 0.00 C ATOM 177 CD GLN A 22 -0.357 -13.850 -0.251 1.00 0.00 C ATOM 178 OE1 GLN A 22 0.139 -13.175 -1.132 1.00 0.00 O ATOM 179 NE2 GLN A 22 -0.769 -15.061 -0.511 1.00 0.00 N ATOM 0 H GLN A 22 -3.883 -13.111 3.139 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.928 -11.381 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.932 -13.955 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.460 -14.188 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.253 -12.235 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.195 -13.797 1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.185 -15.628 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.675 -15.441 -1.453 1.00 0.00 H new ATOM 188 N ARG A 23 -4.521 -11.840 0.180 1.00 0.00 N ATOM 189 CA ARG A 23 -5.140 -11.502 -1.131 1.00 0.00 C ATOM 190 C ARG A 23 -5.279 -9.982 -1.241 1.00 0.00 C ATOM 191 O ARG A 23 -4.804 -9.371 -2.178 1.00 0.00 O ATOM 192 CB ARG A 23 -6.521 -12.155 -1.225 1.00 0.00 C ATOM 193 CG ARG A 23 -7.173 -11.786 -2.560 1.00 0.00 C ATOM 194 CD ARG A 23 -8.553 -12.444 -2.655 1.00 0.00 C ATOM 195 NE ARG A 23 -8.545 -13.736 -1.912 1.00 0.00 N ATOM 196 CZ ARG A 23 -8.967 -14.825 -2.491 1.00 0.00 C ATOM 197 NH1 ARG A 23 -8.345 -15.287 -3.542 1.00 0.00 N ATOM 198 NH2 ARG A 23 -10.008 -15.453 -2.020 1.00 0.00 N ATOM 0 H ARG A 23 -5.178 -12.091 0.918 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.513 -11.871 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.429 -13.238 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.149 -11.823 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.268 -10.703 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.544 -12.115 -3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.312 -11.780 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.814 -12.615 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.209 -13.768 -0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.530 -14.796 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.674 -16.139 -3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.493 -15.092 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.338 -16.305 -2.473 1.00 0.00 H new ATOM 212 N ALA A 24 -5.925 -9.364 -0.288 1.00 0.00 N ATOM 213 CA ALA A 24 -6.089 -7.888 -0.336 1.00 0.00 C ATOM 214 C ALA A 24 -4.714 -7.226 -0.438 1.00 0.00 C ATOM 215 O ALA A 24 -4.505 -6.319 -1.219 1.00 0.00 O ATOM 216 CB ALA A 24 -6.788 -7.411 0.939 1.00 0.00 C ATOM 0 H ALA A 24 -6.345 -9.821 0.521 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.690 -7.618 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.909 -6.328 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.768 -7.883 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.186 -7.682 1.807 1.00 0.00 H new ATOM 222 N LEU A 25 -3.778 -7.672 0.352 1.00 0.00 N ATOM 223 CA LEU A 25 -2.423 -7.086 0.322 1.00 0.00 C ATOM 224 C LEU A 25 -1.907 -7.016 -1.119 1.00 0.00 C ATOM 225 O LEU A 25 -1.173 -6.118 -1.480 1.00 0.00 O ATOM 226 CB LEU A 25 -1.511 -7.956 1.178 1.00 0.00 C ATOM 227 CG LEU A 25 -0.324 -7.122 1.623 1.00 0.00 C ATOM 228 CD1 LEU A 25 -0.858 -6.028 2.542 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.675 -7.999 2.380 1.00 0.00 C ATOM 0 H LEU A 25 -3.903 -8.429 1.024 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.442 -6.070 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.053 -8.335 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.173 -8.823 0.610 1.00 0.00 H new ATOM 0 HG LEU A 25 0.188 -6.689 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.032 -5.405 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.575 -5.413 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.350 -6.483 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.524 -7.393 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.190 -8.430 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.023 -8.800 1.728 1.00 0.00 H new ATOM 241 N GLN A 26 -2.294 -7.945 -1.950 1.00 0.00 N ATOM 242 CA GLN A 26 -1.826 -7.906 -3.372 1.00 0.00 C ATOM 243 C GLN A 26 -2.480 -6.705 -4.065 1.00 0.00 C ATOM 244 O GLN A 26 -1.817 -5.897 -4.686 1.00 0.00 O ATOM 245 CB GLN A 26 -2.238 -9.210 -4.107 1.00 0.00 C ATOM 246 CG GLN A 26 -1.309 -10.385 -3.731 1.00 0.00 C ATOM 247 CD GLN A 26 -1.317 -11.431 -4.855 1.00 0.00 C ATOM 248 OE1 GLN A 26 -0.502 -12.333 -4.857 1.00 0.00 O ATOM 249 NE2 GLN A 26 -2.200 -11.355 -5.820 1.00 0.00 N ATOM 0 H GLN A 26 -2.908 -8.724 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.740 -7.817 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.268 -9.463 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.205 -9.048 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.295 -10.021 -3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.640 -10.838 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.887 -10.601 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.201 -12.050 -6.567 1.00 0.00 H new ATOM 258 N PHE A 27 -3.773 -6.588 -3.944 1.00 0.00 N ATOM 259 CA PHE A 27 -4.507 -5.437 -4.567 1.00 0.00 C ATOM 260 C PHE A 27 -3.664 -4.182 -4.457 1.00 0.00 C ATOM 261 O PHE A 27 -3.562 -3.392 -5.376 1.00 0.00 O ATOM 262 CB PHE A 27 -5.803 -5.178 -3.810 1.00 0.00 C ATOM 263 CG PHE A 27 -6.933 -4.898 -4.776 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.745 -3.993 -5.830 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.177 -5.516 -4.600 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.802 -3.703 -6.699 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.231 -5.232 -5.478 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.041 -4.321 -6.523 1.00 0.00 C ATOM 0 H PHE A 27 -4.364 -7.245 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.713 -5.681 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.050 -6.042 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.674 -4.331 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.784 -3.520 -5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.324 -6.212 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.659 -3.000 -7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.188 -5.715 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.856 -4.095 -7.195 1.00 0.00 H new ATOM 278 N ALA A 28 -3.079 -3.990 -3.319 1.00 0.00 N ATOM 279 CA ALA A 28 -2.250 -2.778 -3.099 1.00 0.00 C ATOM 280 C ALA A 28 -0.985 -2.837 -3.962 1.00 0.00 C ATOM 281 O ALA A 28 -0.625 -1.876 -4.613 1.00 0.00 O ATOM 282 CB ALA A 28 -1.869 -2.701 -1.624 1.00 0.00 C ATOM 0 H ALA A 28 -3.138 -4.624 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.819 -1.892 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.260 -1.814 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.773 -2.644 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.302 -3.590 -1.348 1.00 0.00 H new ATOM 288 N MET A 29 -0.306 -3.950 -3.974 1.00 0.00 N ATOM 289 CA MET A 29 0.936 -4.055 -4.795 1.00 0.00 C ATOM 290 C MET A 29 0.636 -3.654 -6.243 1.00 0.00 C ATOM 291 O MET A 29 1.341 -2.859 -6.831 1.00 0.00 O ATOM 292 CB MET A 29 1.447 -5.496 -4.767 1.00 0.00 C ATOM 293 CG MET A 29 2.778 -5.551 -4.013 1.00 0.00 C ATOM 294 SD MET A 29 4.072 -4.776 -5.014 1.00 0.00 S ATOM 295 CE MET A 29 4.886 -3.865 -3.679 1.00 0.00 C ATOM 0 H MET A 29 -0.555 -4.791 -3.453 1.00 0.00 H new ATOM 0 HA MET A 29 1.694 -3.388 -4.384 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.716 -6.143 -4.283 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.577 -5.867 -5.784 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.687 -5.037 -3.056 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.042 -6.586 -3.796 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.730 -3.306 -4.082 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.176 -3.174 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.243 -4.566 -2.925 1.00 0.00 H new ATOM 305 N ALA A 30 -0.396 -4.200 -6.824 1.00 0.00 N ATOM 306 CA ALA A 30 -0.724 -3.846 -8.234 1.00 0.00 C ATOM 307 C ALA A 30 -1.001 -2.344 -8.327 1.00 0.00 C ATOM 308 O ALA A 30 -0.454 -1.655 -9.164 1.00 0.00 O ATOM 309 CB ALA A 30 -1.959 -4.626 -8.690 1.00 0.00 C ATOM 0 H ALA A 30 -1.024 -4.873 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 30 0.117 -4.103 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.195 -4.364 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.759 -5.695 -8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.805 -4.375 -8.050 1.00 0.00 H new ATOM 315 N GLU A 31 -1.841 -1.821 -7.476 1.00 0.00 N ATOM 316 CA GLU A 31 -2.115 -0.358 -7.537 1.00 0.00 C ATOM 317 C GLU A 31 -0.774 0.370 -7.622 1.00 0.00 C ATOM 318 O GLU A 31 -0.636 1.368 -8.303 1.00 0.00 O ATOM 319 CB GLU A 31 -2.869 0.091 -6.279 1.00 0.00 C ATOM 320 CG GLU A 31 -4.153 -0.729 -6.134 1.00 0.00 C ATOM 321 CD GLU A 31 -5.301 -0.012 -6.850 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.054 1.040 -7.415 1.00 0.00 O ATOM 323 OE2 GLU A 31 -6.406 -0.529 -6.821 1.00 0.00 O ATOM 0 H GLU A 31 -2.343 -2.335 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.730 -0.128 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.240 -0.040 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.108 1.152 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.011 -1.724 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.395 -0.862 -5.080 1.00 0.00 H new ATOM 330 N TYR A 32 0.216 -0.137 -6.940 1.00 0.00 N ATOM 331 CA TYR A 32 1.569 0.512 -6.980 1.00 0.00 C ATOM 332 C TYR A 32 2.186 0.326 -8.368 1.00 0.00 C ATOM 333 O TYR A 32 2.833 1.208 -8.898 1.00 0.00 O ATOM 334 CB TYR A 32 2.505 -0.122 -5.937 1.00 0.00 C ATOM 335 CG TYR A 32 3.821 0.641 -5.892 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.933 1.909 -6.485 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.938 0.072 -5.258 1.00 0.00 C ATOM 338 CE1 TYR A 32 5.149 2.600 -6.442 1.00 0.00 C ATOM 339 CE2 TYR A 32 6.153 0.765 -5.218 1.00 0.00 C ATOM 340 CZ TYR A 32 6.258 2.029 -5.810 1.00 0.00 C ATOM 341 OH TYR A 32 7.458 2.713 -5.772 1.00 0.00 O ATOM 0 H TYR A 32 0.153 -0.971 -6.356 1.00 0.00 H new ATOM 0 HA TYR A 32 1.448 1.572 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.032 -0.108 -4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.689 -1.167 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.079 2.352 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.859 -0.903 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.231 3.576 -6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.010 0.324 -4.730 1.00 0.00 H new ATOM 0 HH TYR A 32 7.491 3.271 -4.967 1.00 0.00 H new ATOM 351 N ASN A 33 2.002 -0.825 -8.948 1.00 0.00 N ATOM 352 CA ASN A 33 2.597 -1.085 -10.307 1.00 0.00 C ATOM 353 C ASN A 33 2.126 -0.010 -11.288 1.00 0.00 C ATOM 354 O ASN A 33 2.860 0.412 -12.160 1.00 0.00 O ATOM 355 CB ASN A 33 2.209 -2.489 -10.856 1.00 0.00 C ATOM 356 CG ASN A 33 0.711 -2.536 -11.275 1.00 0.00 C ATOM 357 OD1 ASN A 33 -0.038 -3.317 -10.729 1.00 0.00 O ATOM 358 ND2 ASN A 33 0.226 -1.762 -12.232 1.00 0.00 N ATOM 0 H ASN A 33 1.470 -1.599 -8.551 1.00 0.00 H new ATOM 0 HA ASN A 33 3.682 -1.055 -10.203 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.837 -2.733 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.400 -3.245 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.757 -1.831 -12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.835 -1.096 -12.707 1.00 0.00 H new ATOM 365 N ARG A 34 0.900 0.423 -11.168 1.00 0.00 N ATOM 366 CA ARG A 34 0.377 1.458 -12.111 1.00 0.00 C ATOM 367 C ARG A 34 0.623 2.863 -11.550 1.00 0.00 C ATOM 368 O ARG A 34 0.479 3.850 -12.242 1.00 0.00 O ATOM 369 CB ARG A 34 -1.124 1.234 -12.344 1.00 0.00 C ATOM 370 CG ARG A 34 -1.526 1.834 -13.691 1.00 0.00 C ATOM 371 CD ARG A 34 -2.690 1.033 -14.275 1.00 0.00 C ATOM 372 NE ARG A 34 -2.887 1.407 -15.704 1.00 0.00 N ATOM 373 CZ ARG A 34 -3.484 0.580 -16.519 1.00 0.00 C ATOM 374 NH1 ARG A 34 -4.417 -0.216 -16.074 1.00 0.00 N ATOM 375 NH2 ARG A 34 -3.146 0.551 -17.780 1.00 0.00 N ATOM 0 H ARG A 34 0.238 0.107 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 34 0.903 1.370 -13.062 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.350 0.168 -12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.700 1.695 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.815 2.878 -13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.679 1.818 -14.376 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.487 -0.035 -14.193 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.600 1.229 -13.708 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.555 2.309 -16.045 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.680 -0.192 -15.089 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.883 -0.862 -16.711 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.417 1.174 -18.127 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.611 -0.095 -18.418 1.00 0.00 H new ATOM 389 N ALA A 35 0.981 2.962 -10.300 1.00 0.00 N ATOM 390 CA ALA A 35 1.220 4.309 -9.699 1.00 0.00 C ATOM 391 C ALA A 35 2.640 4.797 -10.025 1.00 0.00 C ATOM 392 O ALA A 35 2.950 5.959 -9.845 1.00 0.00 O ATOM 393 CB ALA A 35 1.052 4.230 -8.183 1.00 0.00 C ATOM 0 H ALA A 35 1.119 2.173 -9.669 1.00 0.00 H new ATOM 0 HA ALA A 35 0.498 5.011 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.227 5.213 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.040 3.902 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.769 3.518 -7.774 1.00 0.00 H new ATOM 399 N SER A 36 3.513 3.940 -10.501 1.00 0.00 N ATOM 400 CA SER A 36 4.910 4.439 -10.819 1.00 0.00 C ATOM 401 C SER A 36 4.882 5.318 -12.068 1.00 0.00 C ATOM 402 O SER A 36 5.884 5.891 -12.448 1.00 0.00 O ATOM 403 CB SER A 36 5.939 3.312 -11.016 1.00 0.00 C ATOM 404 OG SER A 36 7.233 3.816 -10.717 1.00 0.00 O ATOM 0 H SER A 36 3.339 2.951 -10.681 1.00 0.00 H new ATOM 0 HA SER A 36 5.230 5.013 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.703 2.468 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.905 2.945 -12.042 1.00 0.00 H new ATOM 0 HG SER A 36 7.910 3.161 -10.989 1.00 0.00 H new ATOM 410 N ASN A 37 3.739 5.436 -12.678 1.00 0.00 N ATOM 411 CA ASN A 37 3.583 6.288 -13.904 1.00 0.00 C ATOM 412 C ASN A 37 4.907 6.417 -14.665 1.00 0.00 C ATOM 413 O ASN A 37 5.227 5.612 -15.518 1.00 0.00 O ATOM 414 CB ASN A 37 3.102 7.683 -13.491 1.00 0.00 C ATOM 415 CG ASN A 37 3.150 8.619 -14.699 1.00 0.00 C ATOM 416 OD1 ASN A 37 3.650 9.722 -14.609 1.00 0.00 O ATOM 417 ND2 ASN A 37 2.646 8.223 -15.836 1.00 0.00 N ATOM 0 H ASN A 37 2.883 4.970 -12.377 1.00 0.00 H new ATOM 0 HA ASN A 37 2.855 5.812 -14.561 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.086 7.628 -13.101 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.730 8.073 -12.690 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.672 8.840 -16.648 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.226 7.297 -15.913 1.00 0.00 H new ATOM 424 N ASP A 38 5.671 7.434 -14.367 1.00 0.00 N ATOM 425 CA ASP A 38 6.963 7.649 -15.059 1.00 0.00 C ATOM 426 C ASP A 38 7.839 6.398 -14.984 1.00 0.00 C ATOM 427 O ASP A 38 7.384 5.313 -14.677 1.00 0.00 O ATOM 428 CB ASP A 38 7.659 8.837 -14.391 1.00 0.00 C ATOM 429 CG ASP A 38 8.416 8.378 -13.143 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.049 7.352 -12.595 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.348 9.063 -12.757 1.00 0.00 O ATOM 0 H ASP A 38 5.445 8.134 -13.660 1.00 0.00 H new ATOM 0 HA ASP A 38 6.791 7.856 -16.115 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.351 9.303 -15.093 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.922 9.593 -14.120 1.00 0.00 H new ATOM 436 N LYS A 39 9.097 6.554 -15.271 1.00 0.00 N ATOM 437 CA LYS A 39 10.040 5.400 -15.236 1.00 0.00 C ATOM 438 C LYS A 39 11.186 5.743 -14.294 1.00 0.00 C ATOM 439 O LYS A 39 12.333 5.474 -14.585 1.00 0.00 O ATOM 440 CB LYS A 39 10.621 5.185 -16.635 1.00 0.00 C ATOM 441 CG LYS A 39 11.431 6.414 -17.051 1.00 0.00 C ATOM 442 CD LYS A 39 11.245 6.677 -18.549 1.00 0.00 C ATOM 443 CE LYS A 39 9.753 6.788 -18.874 1.00 0.00 C ATOM 444 NZ LYS A 39 9.377 5.717 -19.839 1.00 0.00 N ATOM 0 H LYS A 39 9.521 7.444 -15.533 1.00 0.00 H new ATOM 0 HA LYS A 39 9.518 4.503 -14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.256 4.299 -16.643 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.817 5.008 -17.350 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.110 7.283 -16.477 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.486 6.257 -16.828 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.758 7.596 -18.833 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.694 5.870 -19.128 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.163 6.695 -17.962 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.533 7.768 -19.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.341 5.670 -19.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.787 5.930 -20.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.740 4.803 -19.502 1.00 0.00 H new ATOM 458 N TYR A 40 10.913 6.384 -13.192 1.00 0.00 N ATOM 459 CA TYR A 40 12.028 6.774 -12.305 1.00 0.00 C ATOM 460 C TYR A 40 11.472 7.397 -11.024 1.00 0.00 C ATOM 461 O TYR A 40 10.387 7.941 -11.015 1.00 0.00 O ATOM 462 CB TYR A 40 12.808 7.895 -13.025 1.00 0.00 C ATOM 463 CG TYR A 40 13.963 7.401 -13.932 1.00 0.00 C ATOM 464 CD1 TYR A 40 15.189 6.984 -13.362 1.00 0.00 C ATOM 465 CD2 TYR A 40 13.846 7.398 -15.344 1.00 0.00 C ATOM 466 CE1 TYR A 40 16.250 6.579 -14.172 1.00 0.00 C ATOM 467 CE2 TYR A 40 14.918 6.983 -16.139 1.00 0.00 C ATOM 468 CZ TYR A 40 16.115 6.574 -15.557 1.00 0.00 C ATOM 469 OH TYR A 40 17.168 6.170 -16.352 1.00 0.00 O ATOM 0 H TYR A 40 9.980 6.648 -12.876 1.00 0.00 H new ATOM 0 HA TYR A 40 12.642 5.903 -12.076 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.110 8.473 -13.631 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.217 8.573 -12.276 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.305 6.979 -12.288 1.00 0.00 H new ATOM 0 HD2 TYR A 40 12.925 7.718 -15.808 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.181 6.268 -13.722 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.817 6.980 -17.214 1.00 0.00 H new ATOM 0 HH TYR A 40 16.906 6.226 -17.295 1.00 0.00 H new ATOM 479 N SER A 41 12.231 7.394 -9.961 1.00 0.00 N ATOM 480 CA SER A 41 11.753 8.069 -8.722 1.00 0.00 C ATOM 481 C SER A 41 10.695 7.284 -7.997 1.00 0.00 C ATOM 482 O SER A 41 10.082 7.778 -7.111 1.00 0.00 O ATOM 483 CB SER A 41 11.177 9.437 -9.064 1.00 0.00 C ATOM 484 OG SER A 41 11.597 9.834 -10.361 1.00 0.00 O ATOM 0 H SER A 41 13.151 6.958 -9.897 1.00 0.00 H new ATOM 0 HA SER A 41 12.620 8.157 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.088 9.403 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.502 10.172 -8.327 1.00 0.00 H new ATOM 0 HG SER A 41 10.951 9.516 -11.026 1.00 0.00 H new ATOM 490 N SER A 42 10.499 6.079 -8.335 1.00 0.00 N ATOM 491 CA SER A 42 9.446 5.286 -7.617 1.00 0.00 C ATOM 492 C SER A 42 10.025 4.036 -6.892 1.00 0.00 C ATOM 493 O SER A 42 10.537 3.142 -7.536 1.00 0.00 O ATOM 494 CB SER A 42 8.409 4.814 -8.639 1.00 0.00 C ATOM 495 OG SER A 42 8.408 5.696 -9.752 1.00 0.00 O ATOM 0 H SER A 42 11.003 5.582 -9.070 1.00 0.00 H new ATOM 0 HA SER A 42 9.005 5.935 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.639 3.800 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.419 4.785 -8.183 1.00 0.00 H new ATOM 0 HG SER A 42 7.849 5.322 -10.465 1.00 0.00 H new ATOM 501 N ARG A 43 9.910 3.926 -5.567 1.00 0.00 N ATOM 502 CA ARG A 43 10.416 2.698 -4.873 1.00 0.00 C ATOM 503 C ARG A 43 9.749 2.601 -3.493 1.00 0.00 C ATOM 504 O ARG A 43 9.573 3.595 -2.813 1.00 0.00 O ATOM 505 CB ARG A 43 11.956 2.745 -4.733 1.00 0.00 C ATOM 506 CG ARG A 43 12.386 3.506 -3.467 1.00 0.00 C ATOM 507 CD ARG A 43 13.735 2.951 -2.999 1.00 0.00 C ATOM 508 NE ARG A 43 13.521 1.981 -1.884 1.00 0.00 N ATOM 509 CZ ARG A 43 14.500 1.212 -1.486 1.00 0.00 C ATOM 510 NH1 ARG A 43 15.425 0.835 -2.328 1.00 0.00 N ATOM 511 NH2 ARG A 43 14.555 0.818 -0.242 1.00 0.00 N ATOM 0 H ARG A 43 9.492 4.629 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 43 10.165 1.816 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.350 1.729 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.387 3.225 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.468 4.573 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.637 3.391 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.244 2.460 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.379 3.765 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 43 12.609 1.918 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.385 1.141 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.187 0.235 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.834 1.110 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.319 0.218 0.070 1.00 0.00 H new ATOM 525 N VAL A 44 9.371 1.425 -3.068 1.00 0.00 N ATOM 526 CA VAL A 44 8.716 1.298 -1.734 1.00 0.00 C ATOM 527 C VAL A 44 9.779 1.113 -0.644 1.00 0.00 C ATOM 528 O VAL A 44 10.901 0.727 -0.911 1.00 0.00 O ATOM 529 CB VAL A 44 7.754 0.091 -1.745 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.516 -1.200 -1.426 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.665 0.311 -0.693 1.00 0.00 C ATOM 0 H VAL A 44 9.486 0.552 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 44 8.151 2.206 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 44 7.306 -0.000 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.825 -2.043 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.293 -1.358 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.973 -1.119 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.981 -0.538 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.124 0.406 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.113 1.222 -0.925 1.00 0.00 H new ATOM 541 N VAL A 45 9.423 1.385 0.582 1.00 0.00 N ATOM 542 CA VAL A 45 10.393 1.230 1.701 1.00 0.00 C ATOM 543 C VAL A 45 9.885 0.145 2.656 1.00 0.00 C ATOM 544 O VAL A 45 10.472 -0.910 2.788 1.00 0.00 O ATOM 545 CB VAL A 45 10.509 2.549 2.466 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.744 2.512 3.368 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.641 3.703 1.473 1.00 0.00 C ATOM 0 H VAL A 45 8.496 1.710 0.857 1.00 0.00 H new ATOM 0 HA VAL A 45 11.368 0.952 1.301 1.00 0.00 H new ATOM 0 HB VAL A 45 9.618 2.692 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.825 3.453 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.652 1.689 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.636 2.368 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.724 4.644 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.532 3.557 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.761 3.732 0.830 1.00 0.00 H new ATOM 557 N ARG A 46 8.789 0.406 3.324 1.00 0.00 N ATOM 558 CA ARG A 46 8.229 -0.598 4.277 1.00 0.00 C ATOM 559 C ARG A 46 6.879 -0.098 4.804 1.00 0.00 C ATOM 560 O ARG A 46 6.616 1.088 4.832 1.00 0.00 O ATOM 561 CB ARG A 46 9.196 -0.772 5.449 1.00 0.00 C ATOM 562 CG ARG A 46 8.823 -2.032 6.233 1.00 0.00 C ATOM 563 CD ARG A 46 9.353 -3.265 5.498 1.00 0.00 C ATOM 564 NE ARG A 46 10.843 -3.266 5.546 1.00 0.00 N ATOM 565 CZ ARG A 46 11.459 -3.672 6.621 1.00 0.00 C ATOM 566 NH1 ARG A 46 11.397 -4.927 6.976 1.00 0.00 N ATOM 567 NH2 ARG A 46 12.138 -2.823 7.342 1.00 0.00 N ATOM 0 H ARG A 46 8.258 1.273 3.249 1.00 0.00 H new ATOM 0 HA ARG A 46 8.092 -1.552 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.220 -0.848 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.155 0.101 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.243 -1.986 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.741 -2.098 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.962 -4.173 5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.011 -3.260 4.463 1.00 0.00 H new ATOM 0 HE ARG A 46 11.380 -2.949 4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.866 -5.591 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.879 -5.243 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.187 -1.843 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.620 -3.139 8.183 1.00 0.00 H new ATOM 581 N VAL A 47 6.019 -0.989 5.223 1.00 0.00 N ATOM 582 CA VAL A 47 4.690 -0.552 5.746 1.00 0.00 C ATOM 583 C VAL A 47 4.872 0.085 7.129 1.00 0.00 C ATOM 584 O VAL A 47 5.749 -0.292 7.882 1.00 0.00 O ATOM 585 CB VAL A 47 3.738 -1.762 5.818 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.738 -2.380 7.224 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.325 -1.294 5.470 1.00 0.00 C ATOM 0 H VAL A 47 6.178 -1.997 5.226 1.00 0.00 H new ATOM 0 HA VAL A 47 4.253 0.189 5.077 1.00 0.00 H new ATOM 0 HB VAL A 47 4.076 -2.521 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.058 -3.232 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.745 -2.713 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.411 -1.635 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.640 -2.140 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.009 -0.531 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.318 -0.876 4.463 1.00 0.00 H new ATOM 597 N ILE A 48 4.055 1.046 7.477 1.00 0.00 N ATOM 598 CA ILE A 48 4.208 1.685 8.818 1.00 0.00 C ATOM 599 C ILE A 48 3.147 1.126 9.781 1.00 0.00 C ATOM 600 O ILE A 48 3.334 1.127 10.981 1.00 0.00 O ATOM 601 CB ILE A 48 4.068 3.215 8.683 1.00 0.00 C ATOM 602 CG1 ILE A 48 5.437 3.836 8.373 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.539 3.824 9.989 1.00 0.00 C ATOM 604 CD1 ILE A 48 6.181 2.991 7.332 1.00 0.00 C ATOM 0 H ILE A 48 3.298 1.412 6.899 1.00 0.00 H new ATOM 0 HA ILE A 48 5.196 1.461 9.220 1.00 0.00 H new ATOM 0 HB ILE A 48 3.367 3.424 7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.307 4.852 8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.028 3.904 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.447 4.904 9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.562 3.398 10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.232 3.602 10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.150 3.443 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.327 1.983 7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.595 2.946 6.414 1.00 0.00 H new ATOM 616 N SER A 49 2.045 0.638 9.269 1.00 0.00 N ATOM 617 CA SER A 49 0.991 0.076 10.172 1.00 0.00 C ATOM 618 C SER A 49 -0.230 -0.344 9.351 1.00 0.00 C ATOM 619 O SER A 49 -0.296 -0.126 8.158 1.00 0.00 O ATOM 620 CB SER A 49 0.570 1.121 11.211 1.00 0.00 C ATOM 621 OG SER A 49 0.098 0.460 12.376 1.00 0.00 O ATOM 0 H SER A 49 1.829 0.604 8.273 1.00 0.00 H new ATOM 0 HA SER A 49 1.401 -0.794 10.685 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.414 1.764 11.460 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.210 1.764 10.802 1.00 0.00 H new ATOM 0 HG SER A 49 -0.171 1.125 13.043 1.00 0.00 H new ATOM 627 N ALA A 50 -1.201 -0.947 9.985 1.00 0.00 N ATOM 628 CA ALA A 50 -2.421 -1.380 9.248 1.00 0.00 C ATOM 629 C ALA A 50 -3.600 -1.450 10.219 1.00 0.00 C ATOM 630 O ALA A 50 -3.574 -2.181 11.190 1.00 0.00 O ATOM 631 CB ALA A 50 -2.184 -2.761 8.630 1.00 0.00 C ATOM 0 H ALA A 50 -1.200 -1.158 10.983 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.642 -0.664 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.077 -3.077 8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.342 -2.711 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.963 -3.480 9.419 1.00 0.00 H new ATOM 637 N LYS A 51 -4.635 -0.698 9.967 1.00 0.00 N ATOM 638 CA LYS A 51 -5.814 -0.728 10.885 1.00 0.00 C ATOM 639 C LYS A 51 -7.057 -1.144 10.095 1.00 0.00 C ATOM 640 O LYS A 51 -7.122 -0.971 8.895 1.00 0.00 O ATOM 641 CB LYS A 51 -6.026 0.660 11.503 1.00 0.00 C ATOM 642 CG LYS A 51 -4.696 1.169 12.063 1.00 0.00 C ATOM 643 CD LYS A 51 -4.750 2.692 12.213 1.00 0.00 C ATOM 644 CE LYS A 51 -3.366 3.215 12.608 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.057 2.799 14.004 1.00 0.00 N ATOM 0 H LYS A 51 -4.718 -0.066 9.170 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.636 -1.446 11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.407 1.352 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.772 0.608 12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.495 0.705 13.029 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.879 0.888 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.070 3.149 11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.484 2.968 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.610 2.826 11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.339 4.302 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.192 3.278 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.848 3.059 14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.915 1.769 14.036 1.00 0.00 H new ATOM 659 N ARG A 52 -8.039 -1.704 10.748 1.00 0.00 N ATOM 660 CA ARG A 52 -9.257 -2.134 10.009 1.00 0.00 C ATOM 661 C ARG A 52 -10.492 -1.446 10.579 1.00 0.00 C ATOM 662 O ARG A 52 -10.662 -1.317 11.774 1.00 0.00 O ATOM 663 CB ARG A 52 -9.427 -3.656 10.138 1.00 0.00 C ATOM 664 CG ARG A 52 -9.328 -4.054 11.611 1.00 0.00 C ATOM 665 CD ARG A 52 -9.799 -5.499 11.781 1.00 0.00 C ATOM 666 NE ARG A 52 -11.185 -5.506 12.331 1.00 0.00 N ATOM 667 CZ ARG A 52 -12.050 -6.385 11.904 1.00 0.00 C ATOM 668 NH1 ARG A 52 -11.780 -7.659 11.987 1.00 0.00 N ATOM 669 NH2 ARG A 52 -13.185 -5.991 11.392 1.00 0.00 N ATOM 0 H ARG A 52 -8.050 -1.881 11.753 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.145 -1.859 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.391 -3.961 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.660 -4.169 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.300 -3.952 11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.938 -3.387 12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.774 -6.017 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.127 -6.036 12.451 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.457 -4.825 13.040 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.893 -7.967 12.386 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.456 -8.346 11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.396 -4.995 11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.860 -6.679 11.059 1.00 0.00 H new ATOM 683 N GLN A 53 -11.365 -1.026 9.712 1.00 0.00 N ATOM 684 CA GLN A 53 -12.620 -0.361 10.152 1.00 0.00 C ATOM 685 C GLN A 53 -13.791 -1.076 9.479 1.00 0.00 C ATOM 686 O GLN A 53 -13.601 -1.857 8.569 1.00 0.00 O ATOM 687 CB GLN A 53 -12.604 1.111 9.730 1.00 0.00 C ATOM 688 CG GLN A 53 -11.823 1.933 10.759 1.00 0.00 C ATOM 689 CD GLN A 53 -11.823 3.405 10.341 1.00 0.00 C ATOM 690 OE1 GLN A 53 -12.075 3.722 9.195 1.00 0.00 O ATOM 691 NE2 GLN A 53 -11.546 4.323 11.226 1.00 0.00 N ATOM 0 H GLN A 53 -11.261 -1.116 8.701 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.715 -0.410 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.146 1.212 8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.624 1.487 9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.274 1.824 11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.800 1.565 10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.335 4.057 12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.541 5.307 10.956 1.00 0.00 H new ATOM 700 N LEU A 54 -14.997 -0.835 9.908 1.00 0.00 N ATOM 701 CA LEU A 54 -16.146 -1.532 9.267 1.00 0.00 C ATOM 702 C LEU A 54 -17.106 -0.503 8.646 1.00 0.00 C ATOM 703 O LEU A 54 -17.250 0.596 9.145 1.00 0.00 O ATOM 704 CB LEU A 54 -16.896 -2.352 10.318 1.00 0.00 C ATOM 705 CG LEU A 54 -17.527 -1.406 11.341 1.00 0.00 C ATOM 706 CD1 LEU A 54 -19.036 -1.646 11.396 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.917 -1.666 12.720 1.00 0.00 C ATOM 0 H LEU A 54 -15.236 -0.194 10.665 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.770 -2.191 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.667 -2.957 9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.212 -3.040 10.815 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.335 -0.374 11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -19.485 -0.972 12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.470 -1.460 10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.230 -2.678 11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -17.366 -0.992 13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.108 -2.698 13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.842 -1.493 12.681 1.00 0.00 H new ATOM 719 N VAL A 55 -17.781 -0.849 7.573 1.00 0.00 N ATOM 720 CA VAL A 55 -18.733 0.085 6.936 1.00 0.00 C ATOM 721 C VAL A 55 -19.617 -0.803 6.072 1.00 0.00 C ATOM 722 O VAL A 55 -19.494 -0.792 4.864 1.00 0.00 O ATOM 723 CB VAL A 55 -17.973 1.069 6.044 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.253 2.104 6.911 1.00 0.00 C ATOM 725 CG2 VAL A 55 -16.951 0.303 5.203 1.00 0.00 C ATOM 0 H VAL A 55 -17.703 -1.756 7.114 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.300 0.664 7.665 1.00 0.00 H new ATOM 0 HB VAL A 55 -18.676 1.581 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.713 2.802 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.983 2.649 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.549 1.599 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.408 1.001 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.249 -0.210 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.467 -0.429 4.582 1.00 0.00 H new ATOM 735 N SER A 56 -20.440 -1.643 6.685 1.00 0.00 N ATOM 736 CA SER A 56 -21.256 -2.602 5.898 1.00 0.00 C ATOM 737 C SER A 56 -20.401 -3.861 5.746 1.00 0.00 C ATOM 738 O SER A 56 -20.816 -4.959 6.061 1.00 0.00 O ATOM 739 CB SER A 56 -21.576 -2.011 4.542 1.00 0.00 C ATOM 740 OG SER A 56 -22.781 -2.573 4.040 1.00 0.00 O ATOM 0 H SER A 56 -20.570 -1.693 7.695 1.00 0.00 H new ATOM 0 HA SER A 56 -22.203 -2.827 6.389 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.675 -0.928 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.758 -2.206 3.849 1.00 0.00 H new ATOM 0 HG SER A 56 -22.573 -3.364 3.500 1.00 0.00 H new ATOM 746 N GLY A 57 -19.184 -3.686 5.297 1.00 0.00 N ATOM 747 CA GLY A 57 -18.251 -4.823 5.150 1.00 0.00 C ATOM 748 C GLY A 57 -16.967 -4.488 5.920 1.00 0.00 C ATOM 749 O GLY A 57 -16.996 -3.685 6.835 1.00 0.00 O ATOM 0 H GLY A 57 -18.799 -2.782 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.700 -5.737 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.029 -4.999 4.098 1.00 0.00 H new ATOM 753 N ILE A 58 -15.831 -5.049 5.559 1.00 0.00 N ATOM 754 CA ILE A 58 -14.594 -4.678 6.309 1.00 0.00 C ATOM 755 C ILE A 58 -13.726 -3.782 5.430 1.00 0.00 C ATOM 756 O ILE A 58 -13.807 -3.816 4.220 1.00 0.00 O ATOM 757 CB ILE A 58 -13.790 -5.920 6.715 1.00 0.00 C ATOM 758 CG1 ILE A 58 -14.704 -7.147 6.735 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.198 -5.699 8.112 1.00 0.00 C ATOM 760 CD1 ILE A 58 -13.917 -8.357 7.241 1.00 0.00 C ATOM 0 H ILE A 58 -15.713 -5.724 4.804 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.889 -4.152 7.217 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.988 -6.086 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.564 -6.963 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.091 -7.343 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.625 -6.578 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.543 -4.828 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.004 -5.534 8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.566 -9.233 7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.071 -8.544 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.552 -8.158 8.249 1.00 0.00 H new ATOM 772 N LYS A 59 -12.898 -2.978 6.031 1.00 0.00 N ATOM 773 CA LYS A 59 -12.025 -2.071 5.236 1.00 0.00 C ATOM 774 C LYS A 59 -10.639 -2.028 5.877 1.00 0.00 C ATOM 775 O LYS A 59 -10.503 -2.112 7.081 1.00 0.00 O ATOM 776 CB LYS A 59 -12.640 -0.666 5.222 1.00 0.00 C ATOM 777 CG LYS A 59 -11.756 0.281 4.413 1.00 0.00 C ATOM 778 CD LYS A 59 -12.271 1.711 4.590 1.00 0.00 C ATOM 779 CE LYS A 59 -11.717 2.295 5.891 1.00 0.00 C ATOM 780 NZ LYS A 59 -12.039 3.747 5.959 1.00 0.00 N ATOM 0 H LYS A 59 -12.787 -2.909 7.043 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.938 -2.434 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.640 -0.702 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.746 -0.296 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.721 0.209 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.771 0.003 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.966 2.326 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.361 1.716 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.147 1.776 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.638 2.148 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.112 4.040 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.286 4.292 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.944 3.925 5.479 1.00 0.00 H new ATOM 794 N TYR A 60 -9.605 -1.905 5.094 1.00 0.00 N ATOM 795 CA TYR A 60 -8.239 -1.863 5.678 1.00 0.00 C ATOM 796 C TYR A 60 -7.596 -0.512 5.370 1.00 0.00 C ATOM 797 O TYR A 60 -7.909 0.126 4.385 1.00 0.00 O ATOM 798 CB TYR A 60 -7.385 -2.980 5.072 1.00 0.00 C ATOM 799 CG TYR A 60 -7.892 -4.324 5.539 1.00 0.00 C ATOM 800 CD1 TYR A 60 -9.182 -4.746 5.191 1.00 0.00 C ATOM 801 CD2 TYR A 60 -7.072 -5.151 6.317 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.651 -5.993 5.621 1.00 0.00 C ATOM 803 CE2 TYR A 60 -7.543 -6.399 6.745 1.00 0.00 C ATOM 804 CZ TYR A 60 -8.831 -6.820 6.398 1.00 0.00 C ATOM 805 OH TYR A 60 -9.294 -8.049 6.821 1.00 0.00 O ATOM 0 H TYR A 60 -9.647 -1.832 4.078 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.304 -2.001 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.419 -2.926 3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.343 -2.853 5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.815 -4.109 4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.078 -4.827 6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.646 -6.317 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.910 -7.037 7.344 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.600 -8.496 7.349 1.00 0.00 H new ATOM 815 N ILE A 61 -6.696 -0.078 6.200 1.00 0.00 N ATOM 816 CA ILE A 61 -6.022 1.224 5.953 1.00 0.00 C ATOM 817 C ILE A 61 -4.536 1.067 6.266 1.00 0.00 C ATOM 818 O ILE A 61 -4.148 0.845 7.400 1.00 0.00 O ATOM 819 CB ILE A 61 -6.635 2.307 6.852 1.00 0.00 C ATOM 820 CG1 ILE A 61 -6.740 1.785 8.286 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.034 2.670 6.344 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.146 2.931 9.215 1.00 0.00 C ATOM 0 H ILE A 61 -6.396 -0.569 7.042 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.153 1.521 4.913 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.999 3.192 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.474 0.981 8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.785 1.366 8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.466 3.439 6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.964 3.045 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.669 1.784 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.221 2.561 10.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.395 3.720 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.111 3.329 8.901 1.00 0.00 H new ATOM 834 N LEU A 62 -3.697 1.167 5.268 1.00 0.00 N ATOM 835 CA LEU A 62 -2.240 1.011 5.514 1.00 0.00 C ATOM 836 C LEU A 62 -1.522 2.315 5.175 1.00 0.00 C ATOM 837 O LEU A 62 -1.837 2.969 4.199 1.00 0.00 O ATOM 838 CB LEU A 62 -1.688 -0.149 4.655 1.00 0.00 C ATOM 839 CG LEU A 62 -1.395 0.301 3.222 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.262 -0.553 2.651 1.00 0.00 C ATOM 841 CD2 LEU A 62 -2.654 0.113 2.377 1.00 0.00 C ATOM 0 H LEU A 62 -3.960 1.349 4.299 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.069 0.779 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.776 -0.537 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.409 -0.966 4.640 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.100 1.350 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.048 -0.238 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.631 -0.429 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.561 -1.601 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.456 0.431 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.941 -0.938 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.464 0.712 2.793 1.00 0.00 H new ATOM 853 N GLN A 63 -0.549 2.677 5.968 1.00 0.00 N ATOM 854 CA GLN A 63 0.223 3.923 5.706 1.00 0.00 C ATOM 855 C GLN A 63 1.627 3.497 5.271 1.00 0.00 C ATOM 856 O GLN A 63 2.434 3.085 6.078 1.00 0.00 O ATOM 857 CB GLN A 63 0.300 4.761 6.996 1.00 0.00 C ATOM 858 CG GLN A 63 -0.966 4.537 7.827 1.00 0.00 C ATOM 859 CD GLN A 63 -1.301 5.816 8.597 1.00 0.00 C ATOM 860 OE1 GLN A 63 -2.391 6.343 8.478 1.00 0.00 O ATOM 861 NE2 GLN A 63 -0.405 6.344 9.384 1.00 0.00 N ATOM 0 H GLN A 63 -0.254 2.156 6.794 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.252 4.528 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.181 4.480 7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.404 5.818 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.797 4.262 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.817 3.710 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.509 5.903 9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.618 7.198 9.899 1.00 0.00 H new ATOM 870 N VAL A 64 1.911 3.535 3.999 1.00 0.00 N ATOM 871 CA VAL A 64 3.225 3.080 3.515 1.00 0.00 C ATOM 872 C VAL A 64 4.217 4.240 3.439 1.00 0.00 C ATOM 873 O VAL A 64 3.857 5.364 3.180 1.00 0.00 O ATOM 874 CB VAL A 64 3.006 2.523 2.115 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.757 1.637 2.109 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.814 3.688 1.134 1.00 0.00 C ATOM 0 H VAL A 64 1.276 3.867 3.273 1.00 0.00 H new ATOM 0 HA VAL A 64 3.636 2.334 4.195 1.00 0.00 H new ATOM 0 HB VAL A 64 3.870 1.931 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.599 1.238 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.891 0.814 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.890 2.228 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.657 3.296 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.947 4.277 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.702 4.320 1.142 1.00 0.00 H new ATOM 886 N GLU A 65 5.472 3.956 3.601 1.00 0.00 N ATOM 887 CA GLU A 65 6.492 5.024 3.475 1.00 0.00 C ATOM 888 C GLU A 65 7.182 4.809 2.128 1.00 0.00 C ATOM 889 O GLU A 65 8.167 4.105 2.030 1.00 0.00 O ATOM 890 CB GLU A 65 7.512 4.911 4.611 1.00 0.00 C ATOM 891 CG GLU A 65 8.733 5.778 4.291 1.00 0.00 C ATOM 892 CD GLU A 65 9.576 5.956 5.555 1.00 0.00 C ATOM 893 OE1 GLU A 65 9.247 5.340 6.556 1.00 0.00 O ATOM 894 OE2 GLU A 65 10.539 6.706 5.502 1.00 0.00 O ATOM 0 H GLU A 65 5.837 3.028 3.816 1.00 0.00 H new ATOM 0 HA GLU A 65 6.038 6.013 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.062 5.231 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.815 3.872 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.328 5.311 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.414 6.750 3.914 1.00 0.00 H new ATOM 901 N ILE A 66 6.649 5.379 1.083 1.00 0.00 N ATOM 902 CA ILE A 66 7.256 5.170 -0.263 1.00 0.00 C ATOM 903 C ILE A 66 8.192 6.334 -0.593 1.00 0.00 C ATOM 904 O ILE A 66 7.891 7.475 -0.311 1.00 0.00 O ATOM 905 CB ILE A 66 6.153 5.069 -1.326 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.971 5.972 -0.965 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.664 3.622 -1.413 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.893 5.845 -2.043 1.00 0.00 C ATOM 0 H ILE A 66 5.823 5.978 1.101 1.00 0.00 H new ATOM 0 HA ILE A 66 7.827 4.242 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 66 6.564 5.388 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.566 5.689 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.301 7.008 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.881 3.547 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.495 2.973 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.267 3.313 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.049 6.486 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.304 6.148 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.557 4.810 -2.102 1.00 0.00 H new ATOM 920 N GLY A 67 9.323 6.064 -1.195 1.00 0.00 N ATOM 921 CA GLY A 67 10.257 7.169 -1.537 1.00 0.00 C ATOM 922 C GLY A 67 10.510 7.159 -3.039 1.00 0.00 C ATOM 923 O GLY A 67 10.069 6.267 -3.752 1.00 0.00 O ATOM 0 H GLY A 67 9.635 5.130 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.834 8.127 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.196 7.049 -0.996 1.00 0.00 H new ATOM 927 N ARG A 68 11.205 8.141 -3.542 1.00 0.00 N ATOM 928 CA ARG A 68 11.458 8.168 -4.999 1.00 0.00 C ATOM 929 C ARG A 68 12.903 7.723 -5.286 1.00 0.00 C ATOM 930 O ARG A 68 13.801 8.021 -4.526 1.00 0.00 O ATOM 931 CB ARG A 68 11.235 9.585 -5.536 1.00 0.00 C ATOM 932 CG ARG A 68 9.732 9.856 -5.648 1.00 0.00 C ATOM 933 CD ARG A 68 9.421 11.242 -5.080 1.00 0.00 C ATOM 934 NE ARG A 68 9.172 12.191 -6.200 1.00 0.00 N ATOM 935 CZ ARG A 68 7.973 12.665 -6.399 1.00 0.00 C ATOM 936 NH1 ARG A 68 6.947 11.859 -6.416 1.00 0.00 N ATOM 937 NH2 ARG A 68 7.800 13.945 -6.580 1.00 0.00 N ATOM 0 H ARG A 68 11.602 8.915 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 68 10.769 7.484 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.699 10.315 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.709 9.695 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.418 9.799 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.173 9.094 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.548 11.193 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.254 11.592 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 68 9.939 12.471 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.082 10.858 -6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.010 12.230 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.602 14.575 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.863 14.316 -6.736 1.00 0.00 H new ATOM 951 N THR A 69 13.145 6.999 -6.362 1.00 0.00 N ATOM 952 CA THR A 69 14.554 6.544 -6.638 1.00 0.00 C ATOM 953 C THR A 69 15.127 7.169 -7.930 1.00 0.00 C ATOM 954 O THR A 69 14.459 7.896 -8.634 1.00 0.00 O ATOM 955 CB THR A 69 14.590 5.032 -6.793 1.00 0.00 C ATOM 956 OG1 THR A 69 13.333 4.569 -7.265 1.00 0.00 O ATOM 957 CG2 THR A 69 14.908 4.390 -5.449 1.00 0.00 C ATOM 0 H THR A 69 12.446 6.709 -7.046 1.00 0.00 H new ATOM 0 HA THR A 69 15.161 6.867 -5.792 1.00 0.00 H new ATOM 0 HB THR A 69 15.362 4.760 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.406 3.625 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.934 3.306 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.878 4.742 -5.098 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.140 4.662 -4.725 1.00 0.00 H new ATOM 965 N THR A 70 16.375 6.873 -8.257 1.00 0.00 N ATOM 966 CA THR A 70 16.985 7.446 -9.503 1.00 0.00 C ATOM 967 C THR A 70 16.972 6.412 -10.631 1.00 0.00 C ATOM 968 O THR A 70 17.775 6.473 -11.541 1.00 0.00 O ATOM 969 CB THR A 70 18.429 7.855 -9.213 1.00 0.00 C ATOM 970 OG1 THR A 70 18.946 7.049 -8.165 1.00 0.00 O ATOM 971 CG2 THR A 70 18.478 9.330 -8.803 1.00 0.00 C ATOM 0 H THR A 70 16.988 6.264 -7.716 1.00 0.00 H new ATOM 0 HA THR A 70 16.403 8.314 -9.814 1.00 0.00 H new ATOM 0 HB THR A 70 19.032 7.715 -10.110 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.872 7.309 -7.979 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.509 9.616 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.085 9.946 -9.612 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.875 9.479 -7.907 1.00 0.00 H new ATOM 979 N CYS A 71 16.062 5.476 -10.608 1.00 0.00 N ATOM 980 CA CYS A 71 16.015 4.475 -11.719 1.00 0.00 C ATOM 981 C CYS A 71 14.575 4.017 -11.907 1.00 0.00 C ATOM 982 O CYS A 71 13.750 4.205 -11.034 1.00 0.00 O ATOM 983 CB CYS A 71 16.875 3.233 -11.413 1.00 0.00 C ATOM 984 SG CYS A 71 17.716 3.388 -9.819 1.00 0.00 S ATOM 0 H CYS A 71 15.357 5.359 -9.880 1.00 0.00 H new ATOM 0 HA CYS A 71 16.406 4.955 -12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 71 16.244 2.344 -11.408 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.613 3.096 -12.203 1.00 0.00 H new ATOM 989 N PRO A 72 14.323 3.396 -13.027 1.00 0.00 N ATOM 990 CA PRO A 72 12.987 2.838 -13.361 1.00 0.00 C ATOM 991 C PRO A 72 12.869 1.480 -12.686 1.00 0.00 C ATOM 992 O PRO A 72 12.848 0.448 -13.325 1.00 0.00 O ATOM 993 CB PRO A 72 13.033 2.692 -14.868 1.00 0.00 C ATOM 994 CG PRO A 72 14.505 2.590 -15.260 1.00 0.00 C ATOM 995 CD PRO A 72 15.334 3.170 -14.108 1.00 0.00 C ATOM 0 HA PRO A 72 12.142 3.446 -13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.486 1.804 -15.187 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.563 3.547 -15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.781 1.552 -15.445 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.694 3.139 -16.182 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.115 2.480 -13.789 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.827 4.098 -14.396 1.00 0.00 H new ATOM 1003 N LYS A 73 12.841 1.487 -11.390 1.00 0.00 N ATOM 1004 CA LYS A 73 12.780 0.212 -10.629 1.00 0.00 C ATOM 1005 C LYS A 73 14.187 -0.413 -10.637 1.00 0.00 C ATOM 1006 O LYS A 73 15.156 0.243 -10.966 1.00 0.00 O ATOM 1007 CB LYS A 73 11.738 -0.725 -11.276 1.00 0.00 C ATOM 1008 CG LYS A 73 12.407 -1.791 -12.161 1.00 0.00 C ATOM 1009 CD LYS A 73 11.497 -2.116 -13.346 1.00 0.00 C ATOM 1010 CE LYS A 73 12.329 -2.142 -14.631 1.00 0.00 C ATOM 1011 NZ LYS A 73 11.645 -1.339 -15.685 1.00 0.00 N ATOM 0 H LYS A 73 12.858 2.330 -10.816 1.00 0.00 H new ATOM 0 HA LYS A 73 12.472 0.383 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.153 -1.213 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.042 -0.138 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.371 -1.429 -12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.600 -2.692 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.012 -3.080 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.706 -1.371 -13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.324 -1.739 -14.441 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.461 -3.169 -14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.211 -1.357 -16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.705 -1.742 -15.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.541 -0.356 -15.360 1.00 0.00 H new ATOM 1025 N SER A 74 14.313 -1.667 -10.295 1.00 0.00 N ATOM 1026 CA SER A 74 15.669 -2.299 -10.312 1.00 0.00 C ATOM 1027 C SER A 74 16.069 -2.580 -11.763 1.00 0.00 C ATOM 1028 O SER A 74 16.640 -1.745 -12.436 1.00 0.00 O ATOM 1029 CB SER A 74 15.640 -3.615 -9.525 1.00 0.00 C ATOM 1030 OG SER A 74 16.619 -4.501 -10.048 1.00 0.00 O ATOM 0 H SER A 74 13.548 -2.277 -10.008 1.00 0.00 H new ATOM 0 HA SER A 74 16.392 -1.625 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.834 -3.424 -8.469 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.651 -4.069 -9.591 1.00 0.00 H new ATOM 0 HG SER A 74 16.602 -5.342 -9.544 1.00 0.00 H new ATOM 1036 N SER A 75 15.767 -3.750 -12.246 1.00 0.00 N ATOM 1037 CA SER A 75 16.120 -4.103 -13.659 1.00 0.00 C ATOM 1038 C SER A 75 15.220 -5.255 -14.094 1.00 0.00 C ATOM 1039 O SER A 75 15.606 -6.114 -14.863 1.00 0.00 O ATOM 1040 CB SER A 75 17.584 -4.546 -13.722 1.00 0.00 C ATOM 1041 OG SER A 75 18.118 -4.592 -12.408 1.00 0.00 O ATOM 0 H SER A 75 15.288 -4.485 -11.725 1.00 0.00 H new ATOM 0 HA SER A 75 15.981 -3.243 -14.314 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.659 -5.527 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.159 -3.853 -14.336 1.00 0.00 H new ATOM 0 HG SER A 75 19.055 -4.877 -12.445 1.00 0.00 H new ATOM 1047 N GLY A 76 14.023 -5.285 -13.580 1.00 0.00 N ATOM 1048 CA GLY A 76 13.077 -6.380 -13.919 1.00 0.00 C ATOM 1049 C GLY A 76 12.670 -7.069 -12.617 1.00 0.00 C ATOM 1050 O GLY A 76 13.284 -8.031 -12.200 1.00 0.00 O ATOM 0 H GLY A 76 13.657 -4.588 -12.932 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.200 -5.982 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.546 -7.093 -14.598 1.00 0.00 H new ATOM 1054 N ASP A 77 11.656 -6.560 -11.965 1.00 0.00 N ATOM 1055 CA ASP A 77 11.206 -7.152 -10.671 1.00 0.00 C ATOM 1056 C ASP A 77 12.065 -6.578 -9.540 1.00 0.00 C ATOM 1057 O ASP A 77 13.013 -5.857 -9.776 1.00 0.00 O ATOM 1058 CB ASP A 77 11.346 -8.678 -10.711 1.00 0.00 C ATOM 1059 CG ASP A 77 10.499 -9.295 -9.597 1.00 0.00 C ATOM 1060 OD1 ASP A 77 9.289 -9.335 -9.754 1.00 0.00 O ATOM 1061 OD2 ASP A 77 11.074 -9.715 -8.607 1.00 0.00 O ATOM 0 H ASP A 77 11.117 -5.753 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 77 10.158 -6.906 -10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.025 -9.058 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.391 -8.962 -10.588 1.00 0.00 H new ATOM 1066 N LEU A 78 11.741 -6.888 -8.313 1.00 0.00 N ATOM 1067 CA LEU A 78 12.536 -6.363 -7.174 1.00 0.00 C ATOM 1068 C LEU A 78 12.615 -4.831 -7.264 1.00 0.00 C ATOM 1069 O LEU A 78 12.170 -4.236 -8.224 1.00 0.00 O ATOM 1070 CB LEU A 78 13.936 -6.957 -7.242 1.00 0.00 C ATOM 1071 CG LEU A 78 13.841 -8.481 -7.323 1.00 0.00 C ATOM 1072 CD1 LEU A 78 14.691 -8.984 -8.493 1.00 0.00 C ATOM 1073 CD2 LEU A 78 14.353 -9.093 -6.018 1.00 0.00 C ATOM 0 H LEU A 78 10.956 -7.485 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 78 12.064 -6.637 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.465 -6.568 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.510 -6.664 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 78 12.802 -8.773 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.624 -10.070 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.325 -8.548 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.730 -8.693 -8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.286 -10.179 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 78 15.392 -8.801 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.747 -8.735 -5.186 1.00 0.00 H new ATOM 1085 N GLN A 79 13.170 -4.183 -6.266 1.00 0.00 N ATOM 1086 CA GLN A 79 13.262 -2.697 -6.302 1.00 0.00 C ATOM 1087 C GLN A 79 14.729 -2.265 -6.273 1.00 0.00 C ATOM 1088 O GLN A 79 15.292 -1.870 -7.273 1.00 0.00 O ATOM 1089 CB GLN A 79 12.520 -2.112 -5.095 1.00 0.00 C ATOM 1090 CG GLN A 79 11.445 -3.089 -4.612 1.00 0.00 C ATOM 1091 CD GLN A 79 11.988 -3.908 -3.438 1.00 0.00 C ATOM 1092 OE1 GLN A 79 13.151 -3.808 -3.099 1.00 0.00 O ATOM 1093 NE2 GLN A 79 11.190 -4.721 -2.799 1.00 0.00 N ATOM 0 H GLN A 79 13.561 -4.622 -5.432 1.00 0.00 H new ATOM 0 HA GLN A 79 12.805 -2.328 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 79 13.225 -1.908 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.062 -1.161 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.553 -2.542 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.149 -3.752 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.214 -4.805 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.543 -5.271 -2.016 1.00 0.00 H new ATOM 1102 N SER A 80 15.343 -2.329 -5.135 1.00 0.00 N ATOM 1103 CA SER A 80 16.775 -1.923 -5.028 1.00 0.00 C ATOM 1104 C SER A 80 16.918 -0.444 -5.419 1.00 0.00 C ATOM 1105 O SER A 80 16.030 0.354 -5.187 1.00 0.00 O ATOM 1106 CB SER A 80 17.628 -2.787 -5.971 1.00 0.00 C ATOM 1107 OG SER A 80 18.996 -2.687 -5.601 1.00 0.00 O ATOM 0 H SER A 80 14.918 -2.646 -4.264 1.00 0.00 H new ATOM 0 HA SER A 80 17.115 -2.063 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.303 -3.826 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.495 -2.459 -7.002 1.00 0.00 H new ATOM 0 HG SER A 80 19.539 -2.514 -6.398 1.00 0.00 H new ATOM 1113 N CYS A 81 18.028 -0.075 -6.005 1.00 0.00 N ATOM 1114 CA CYS A 81 18.233 1.352 -6.411 1.00 0.00 C ATOM 1115 C CYS A 81 18.320 2.239 -5.171 1.00 0.00 C ATOM 1116 O CYS A 81 18.286 1.764 -4.053 1.00 0.00 O ATOM 1117 CB CYS A 81 17.080 1.821 -7.303 1.00 0.00 C ATOM 1118 SG CYS A 81 17.536 1.538 -9.029 1.00 0.00 S ATOM 0 H CYS A 81 18.804 -0.700 -6.221 1.00 0.00 H new ATOM 0 HA CYS A 81 19.165 1.425 -6.971 1.00 0.00 H new ATOM 0 HB2 CYS A 81 16.167 1.278 -7.059 1.00 0.00 H new ATOM 0 HB3 CYS A 81 16.876 2.878 -7.134 1.00 0.00 H new ATOM 1123 N GLU A 82 18.450 3.525 -5.357 1.00 0.00 N ATOM 1124 CA GLU A 82 18.561 4.433 -4.182 1.00 0.00 C ATOM 1125 C GLU A 82 17.665 5.663 -4.367 1.00 0.00 C ATOM 1126 O GLU A 82 17.293 6.029 -5.480 1.00 0.00 O ATOM 1127 CB GLU A 82 20.017 4.888 -4.022 1.00 0.00 C ATOM 1128 CG GLU A 82 20.960 3.823 -4.593 1.00 0.00 C ATOM 1129 CD GLU A 82 21.241 4.125 -6.066 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.041 5.260 -6.466 1.00 0.00 O ATOM 1131 OE2 GLU A 82 21.652 3.217 -6.769 1.00 0.00 O ATOM 0 H GLU A 82 18.484 3.983 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 82 18.240 3.892 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.170 5.836 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.241 5.058 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.893 3.809 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.512 2.834 -4.493 1.00 0.00 H new ATOM 1138 N PHE A 83 17.325 6.307 -3.271 1.00 0.00 N ATOM 1139 CA PHE A 83 16.463 7.529 -3.340 1.00 0.00 C ATOM 1140 C PHE A 83 17.325 8.756 -3.672 1.00 0.00 C ATOM 1141 O PHE A 83 17.146 9.812 -3.098 1.00 0.00 O ATOM 1142 CB PHE A 83 15.742 7.787 -2.001 1.00 0.00 C ATOM 1143 CG PHE A 83 15.089 6.515 -1.472 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.852 5.542 -0.807 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.703 6.324 -1.624 1.00 0.00 C ATOM 1146 CE1 PHE A 83 15.233 4.388 -0.301 1.00 0.00 C ATOM 1147 CE2 PHE A 83 13.090 5.172 -1.113 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.852 4.203 -0.452 1.00 0.00 C ATOM 0 H PHE A 83 17.610 6.035 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 83 15.717 7.362 -4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.455 8.165 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.984 8.559 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.916 5.681 -0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.110 7.067 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.823 3.640 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.026 5.032 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.378 3.316 -0.059 1.00 0.00 H new ATOM 1158 N HIS A 84 18.249 8.625 -4.590 1.00 0.00 N ATOM 1159 CA HIS A 84 19.119 9.780 -4.968 1.00 0.00 C ATOM 1160 C HIS A 84 20.265 9.933 -3.956 1.00 0.00 C ATOM 1161 O HIS A 84 20.143 10.648 -2.984 1.00 0.00 O ATOM 1162 CB HIS A 84 18.293 11.067 -4.991 1.00 0.00 C ATOM 1163 CG HIS A 84 19.030 12.123 -5.768 1.00 0.00 C ATOM 1164 ND1 HIS A 84 20.398 12.064 -5.979 1.00 0.00 N ATOM 1165 CD2 HIS A 84 18.603 13.266 -6.394 1.00 0.00 C ATOM 1166 CE1 HIS A 84 20.743 13.144 -6.705 1.00 0.00 C ATOM 1167 NE2 HIS A 84 19.685 13.910 -6.985 1.00 0.00 N ATOM 0 H HIS A 84 18.439 7.761 -5.097 1.00 0.00 H new ATOM 0 HA HIS A 84 19.535 9.594 -5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 84 17.320 10.879 -5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 84 18.109 11.411 -3.973 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.581 13.614 -6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 84 21.752 13.364 -7.022 1.00 0.00 H new ATOM 0 HE2 HIS A 84 19.673 14.780 -7.518 1.00 0.00 H new ATOM 1175 N ASP A 85 21.367 9.260 -4.184 1.00 0.00 N ATOM 1176 CA ASP A 85 22.539 9.352 -3.247 1.00 0.00 C ATOM 1177 C ASP A 85 22.268 8.511 -1.993 1.00 0.00 C ATOM 1178 O ASP A 85 22.381 7.301 -2.016 1.00 0.00 O ATOM 1179 CB ASP A 85 22.820 10.812 -2.839 1.00 0.00 C ATOM 1180 CG ASP A 85 24.007 10.841 -1.873 1.00 0.00 C ATOM 1181 OD1 ASP A 85 24.952 10.104 -2.106 1.00 0.00 O ATOM 1182 OD2 ASP A 85 23.952 11.596 -0.917 1.00 0.00 O ATOM 0 H ASP A 85 21.509 8.645 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 85 23.417 8.969 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.038 11.414 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.939 11.247 -2.366 1.00 0.00 H new ATOM 1187 N GLU A 86 21.914 9.129 -0.896 1.00 0.00 N ATOM 1188 CA GLU A 86 21.648 8.341 0.341 1.00 0.00 C ATOM 1189 C GLU A 86 20.925 9.211 1.372 1.00 0.00 C ATOM 1190 O GLU A 86 21.446 9.469 2.441 1.00 0.00 O ATOM 1191 CB GLU A 86 22.973 7.848 0.929 1.00 0.00 C ATOM 1192 CG GLU A 86 22.863 6.358 1.252 1.00 0.00 C ATOM 1193 CD GLU A 86 22.792 6.171 2.769 1.00 0.00 C ATOM 1194 OE1 GLU A 86 22.465 7.129 3.449 1.00 0.00 O ATOM 1195 OE2 GLU A 86 23.066 5.072 3.225 1.00 0.00 O ATOM 0 H GLU A 86 21.799 10.138 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 86 21.019 7.487 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 86 23.784 8.019 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.214 8.410 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.975 5.937 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 86 23.722 5.823 0.848 1.00 0.00 H new ATOM 1202 N PRO A 87 19.735 9.625 1.024 1.00 0.00 N ATOM 1203 CA PRO A 87 18.867 10.468 1.895 1.00 0.00 C ATOM 1204 C PRO A 87 18.057 9.581 2.858 1.00 0.00 C ATOM 1205 O PRO A 87 16.848 9.669 2.914 1.00 0.00 O ATOM 1206 CB PRO A 87 17.944 11.147 0.890 1.00 0.00 C ATOM 1207 CG PRO A 87 17.896 10.263 -0.351 1.00 0.00 C ATOM 1208 CD PRO A 87 19.093 9.306 -0.289 1.00 0.00 C ATOM 0 HA PRO A 87 19.421 11.170 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.946 11.274 1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 87 18.314 12.141 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.961 9.704 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.939 10.870 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.776 8.264 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.779 9.469 -1.120 1.00 0.00 H new ATOM 1216 N GLU A 88 18.701 8.714 3.611 1.00 0.00 N ATOM 1217 CA GLU A 88 17.934 7.830 4.550 1.00 0.00 C ATOM 1218 C GLU A 88 16.938 8.668 5.356 1.00 0.00 C ATOM 1219 O GLU A 88 15.968 8.158 5.879 1.00 0.00 O ATOM 1220 CB GLU A 88 18.903 7.134 5.512 1.00 0.00 C ATOM 1221 CG GLU A 88 18.872 5.624 5.263 1.00 0.00 C ATOM 1222 CD GLU A 88 20.070 5.223 4.400 1.00 0.00 C ATOM 1223 OE1 GLU A 88 20.063 5.550 3.225 1.00 0.00 O ATOM 1224 OE2 GLU A 88 20.974 4.597 4.929 1.00 0.00 O ATOM 0 H GLU A 88 19.712 8.582 3.616 1.00 0.00 H new ATOM 0 HA GLU A 88 17.393 7.082 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.913 7.517 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.625 7.349 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.898 5.088 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.943 5.346 4.765 1.00 0.00 H new ATOM 1231 N MET A 89 17.165 9.950 5.466 1.00 0.00 N ATOM 1232 CA MET A 89 16.228 10.809 6.244 1.00 0.00 C ATOM 1233 C MET A 89 15.861 12.032 5.406 1.00 0.00 C ATOM 1234 O MET A 89 15.896 13.154 5.872 1.00 0.00 O ATOM 1235 CB MET A 89 16.897 11.264 7.544 1.00 0.00 C ATOM 1236 CG MET A 89 17.789 10.144 8.089 1.00 0.00 C ATOM 1237 SD MET A 89 17.317 9.773 9.797 1.00 0.00 S ATOM 1238 CE MET A 89 15.574 9.405 9.477 1.00 0.00 C ATOM 0 H MET A 89 17.958 10.438 5.051 1.00 0.00 H new ATOM 0 HA MET A 89 15.329 10.241 6.485 1.00 0.00 H new ATOM 0 HB2 MET A 89 17.492 12.159 7.363 1.00 0.00 H new ATOM 0 HB3 MET A 89 16.138 11.528 8.281 1.00 0.00 H new ATOM 0 HG2 MET A 89 17.689 9.252 7.471 1.00 0.00 H new ATOM 0 HG3 MET A 89 18.836 10.445 8.047 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.246 8.600 10.134 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.974 10.295 9.666 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.452 9.098 8.438 1.00 0.00 H new ATOM 1248 N ALA A 90 15.518 11.823 4.167 1.00 0.00 N ATOM 1249 CA ALA A 90 15.158 12.965 3.287 1.00 0.00 C ATOM 1250 C ALA A 90 14.673 12.439 1.934 1.00 0.00 C ATOM 1251 O ALA A 90 14.888 11.291 1.595 1.00 0.00 O ATOM 1252 CB ALA A 90 16.397 13.829 3.080 1.00 0.00 C ATOM 0 H ALA A 90 15.472 10.905 3.725 1.00 0.00 H new ATOM 0 HA ALA A 90 14.363 13.552 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.149 14.672 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.747 14.199 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.182 13.234 2.613 1.00 0.00 H new ATOM 1258 N LYS A 91 14.014 13.257 1.153 1.00 0.00 N ATOM 1259 CA LYS A 91 13.525 12.775 -0.165 1.00 0.00 C ATOM 1260 C LYS A 91 12.734 11.493 0.059 1.00 0.00 C ATOM 1261 O LYS A 91 13.265 10.406 -0.015 1.00 0.00 O ATOM 1262 CB LYS A 91 14.716 12.495 -1.083 1.00 0.00 C ATOM 1263 CG LYS A 91 15.819 13.518 -0.810 1.00 0.00 C ATOM 1264 CD LYS A 91 16.936 13.356 -1.844 1.00 0.00 C ATOM 1265 CE LYS A 91 17.454 14.738 -2.250 1.00 0.00 C ATOM 1266 NZ LYS A 91 17.919 14.700 -3.666 1.00 0.00 N ATOM 0 H LYS A 91 13.797 14.229 1.372 1.00 0.00 H new ATOM 0 HA LYS A 91 12.892 13.529 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.091 11.486 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.405 12.548 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.412 14.528 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.217 13.379 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.748 12.758 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.563 12.823 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.665 15.482 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.272 15.038 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.271 15.639 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.684 14.002 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.127 14.432 -4.284 1.00 0.00 H new ATOM 1280 N TYR A 92 11.467 11.618 0.332 1.00 0.00 N ATOM 1281 CA TYR A 92 10.629 10.404 0.565 1.00 0.00 C ATOM 1282 C TYR A 92 9.164 10.750 0.303 1.00 0.00 C ATOM 1283 O TYR A 92 8.846 11.832 -0.151 1.00 0.00 O ATOM 1284 CB TYR A 92 10.794 9.898 2.010 1.00 0.00 C ATOM 1285 CG TYR A 92 12.172 9.245 2.158 1.00 0.00 C ATOM 1286 CD1 TYR A 92 12.603 8.291 1.219 1.00 0.00 C ATOM 1287 CD2 TYR A 92 13.022 9.581 3.234 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.853 7.682 1.352 1.00 0.00 C ATOM 1289 CE2 TYR A 92 14.274 8.964 3.356 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.687 8.014 2.418 1.00 0.00 C ATOM 1291 OH TYR A 92 15.920 7.410 2.543 1.00 0.00 O ATOM 0 H TYR A 92 10.972 12.507 0.405 1.00 0.00 H new ATOM 0 HA TYR A 92 10.952 9.614 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.693 10.726 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.010 9.180 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.963 8.028 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.707 10.313 3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.175 6.951 0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.923 9.224 4.179 1.00 0.00 H new ATOM 0 HH TYR A 92 16.616 8.015 2.211 1.00 0.00 H new ATOM 1301 N THR A 93 8.264 9.846 0.577 1.00 0.00 N ATOM 1302 CA THR A 93 6.826 10.144 0.327 1.00 0.00 C ATOM 1303 C THR A 93 5.937 9.219 1.164 1.00 0.00 C ATOM 1304 O THR A 93 5.915 8.015 0.977 1.00 0.00 O ATOM 1305 CB THR A 93 6.515 9.934 -1.157 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.730 9.891 -1.893 1.00 0.00 O ATOM 1307 CG2 THR A 93 5.649 11.087 -1.668 1.00 0.00 C ATOM 0 H THR A 93 8.460 8.921 0.960 1.00 0.00 H new ATOM 0 HA THR A 93 6.626 11.178 0.608 1.00 0.00 H new ATOM 0 HB THR A 93 5.978 8.994 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.532 9.755 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.429 10.936 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.717 11.120 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.184 12.028 -1.540 1.00 0.00 H new ATOM 1315 N THR A 94 5.182 9.780 2.069 1.00 0.00 N ATOM 1316 CA THR A 94 4.271 8.949 2.899 1.00 0.00 C ATOM 1317 C THR A 94 2.994 8.698 2.091 1.00 0.00 C ATOM 1318 O THR A 94 2.611 9.508 1.270 1.00 0.00 O ATOM 1319 CB THR A 94 3.941 9.700 4.198 1.00 0.00 C ATOM 1320 OG1 THR A 94 3.378 8.793 5.137 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.942 10.823 3.908 1.00 0.00 C ATOM 0 H THR A 94 5.158 10.780 2.268 1.00 0.00 H new ATOM 0 HA THR A 94 4.739 7.999 3.157 1.00 0.00 H new ATOM 0 HB THR A 94 4.854 10.131 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.168 9.270 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.711 11.352 4.832 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.375 11.519 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.027 10.398 3.495 1.00 0.00 H new ATOM 1329 N CYS A 95 2.328 7.594 2.298 1.00 0.00 N ATOM 1330 CA CYS A 95 1.088 7.338 1.514 1.00 0.00 C ATOM 1331 C CYS A 95 0.198 6.390 2.311 1.00 0.00 C ATOM 1332 O CYS A 95 0.647 5.741 3.230 1.00 0.00 O ATOM 1333 CB CYS A 95 1.450 6.700 0.160 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.060 6.369 -0.784 1.00 0.00 S ATOM 0 H CYS A 95 2.585 6.868 2.967 1.00 0.00 H new ATOM 0 HA CYS A 95 0.563 8.275 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.104 7.366 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.001 5.773 0.320 1.00 0.00 H new ATOM 1339 N THR A 96 -1.059 6.315 1.990 1.00 0.00 N ATOM 1340 CA THR A 96 -1.952 5.408 2.761 1.00 0.00 C ATOM 1341 C THR A 96 -3.036 4.829 1.858 1.00 0.00 C ATOM 1342 O THR A 96 -3.873 5.547 1.355 1.00 0.00 O ATOM 1343 CB THR A 96 -2.626 6.200 3.876 1.00 0.00 C ATOM 1344 OG1 THR A 96 -1.637 6.854 4.660 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.442 5.256 4.761 1.00 0.00 C ATOM 0 H THR A 96 -1.506 6.836 1.235 1.00 0.00 H new ATOM 0 HA THR A 96 -1.353 4.596 3.172 1.00 0.00 H new ATOM 0 HB THR A 96 -3.291 6.944 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.071 7.364 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.922 5.827 5.556 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.204 4.761 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.782 4.507 5.199 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.062 3.534 1.665 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.155 2.980 0.800 1.00 0.00 C ATOM 1355 C PHE A 97 -5.304 2.483 1.673 1.00 0.00 C ATOM 1356 O PHE A 97 -5.150 2.247 2.858 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.719 1.799 -0.087 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.222 1.650 -0.210 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.373 2.761 -0.211 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.692 0.364 -0.367 1.00 0.00 C ATOM 1361 CE1 PHE A 97 0.009 2.579 -0.362 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.318 0.183 -0.528 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.535 1.287 -0.524 1.00 0.00 C ATOM 0 H PHE A 97 -2.403 2.857 2.050 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.450 3.803 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.134 0.877 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.145 1.927 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.780 3.755 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.350 -0.492 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.670 3.433 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.085 -0.811 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.599 1.148 -0.645 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.454 2.302 1.078 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.629 1.797 1.836 1.00 0.00 C ATOM 1375 C VAL A 98 -8.245 0.632 1.057 1.00 0.00 C ATOM 1376 O VAL A 98 -8.716 0.797 -0.050 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.662 2.913 1.985 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -9.818 2.418 2.849 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.011 4.127 2.653 1.00 0.00 C ATOM 0 H VAL A 98 -6.627 2.485 0.090 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.319 1.465 2.827 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.035 3.198 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.557 3.212 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.282 1.553 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.442 2.135 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.748 4.923 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.638 3.844 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.182 4.480 2.039 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.232 -0.548 1.615 1.00 0.00 N ATOM 1390 CA VAL A 99 -8.802 -1.715 0.890 1.00 0.00 C ATOM 1391 C VAL A 99 -10.247 -1.954 1.330 1.00 0.00 C ATOM 1392 O VAL A 99 -10.688 -1.475 2.355 1.00 0.00 O ATOM 1393 CB VAL A 99 -7.967 -2.959 1.202 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.274 -4.052 0.176 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.480 -2.604 1.140 1.00 0.00 C ATOM 0 H VAL A 99 -7.852 -0.752 2.539 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.784 -1.513 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.213 -3.320 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.679 -4.938 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.333 -4.306 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.029 -3.692 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.885 -3.490 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.234 -2.242 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.261 -1.827 1.872 1.00 0.00 H new ATOM 1405 N TYR A 100 -10.981 -2.705 0.561 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.394 -3.001 0.920 1.00 0.00 C ATOM 1407 C TYR A 100 -12.560 -4.525 0.913 1.00 0.00 C ATOM 1408 O TYR A 100 -11.862 -5.213 0.196 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.310 -2.360 -0.121 1.00 0.00 C ATOM 1410 CG TYR A 100 -14.696 -2.036 0.496 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -14.979 -2.292 1.866 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -15.716 -1.480 -0.303 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.240 -1.994 2.395 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -16.972 -1.188 0.242 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.232 -1.443 1.587 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.472 -1.153 2.116 1.00 0.00 O ATOM 0 H TYR A 100 -10.660 -3.130 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.650 -2.603 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.853 -1.447 -0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.432 -3.033 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.217 -2.719 2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -15.526 -1.277 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.445 -2.193 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -17.743 -0.763 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.503 -1.439 3.053 1.00 0.00 H new ATOM 1426 N SER A 101 -13.442 -5.078 1.702 1.00 0.00 N ATOM 1427 CA SER A 101 -13.570 -6.563 1.695 1.00 0.00 C ATOM 1428 C SER A 101 -14.953 -7.003 2.172 1.00 0.00 C ATOM 1429 O SER A 101 -15.218 -7.068 3.358 1.00 0.00 O ATOM 1430 CB SER A 101 -12.507 -7.162 2.619 1.00 0.00 C ATOM 1431 OG SER A 101 -12.655 -8.575 2.658 1.00 0.00 O ATOM 0 H SER A 101 -14.066 -4.580 2.337 1.00 0.00 H new ATOM 0 HA SER A 101 -13.431 -6.915 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.511 -6.900 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.606 -6.747 3.622 1.00 0.00 H new ATOM 0 HG SER A 101 -11.974 -8.959 3.248 1.00 0.00 H new ATOM 1437 N ILE A 102 -15.834 -7.337 1.260 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.183 -7.809 1.684 1.00 0.00 C ATOM 1439 C ILE A 102 -17.796 -8.666 0.565 1.00 0.00 C ATOM 1440 O ILE A 102 -18.320 -8.127 -0.395 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.131 -6.641 1.955 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.371 -5.313 1.944 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -18.821 -6.855 3.317 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -16.903 -5.021 0.518 1.00 0.00 C ATOM 0 H ILE A 102 -15.677 -7.303 0.253 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.058 -8.384 2.602 1.00 0.00 H new ATOM 0 HB ILE A 102 -18.884 -6.602 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -18.013 -4.508 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -16.516 -5.362 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.499 -6.025 3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.385 -7.787 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -18.067 -6.904 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.360 -4.076 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.247 -5.823 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -17.768 -4.956 -0.142 1.00 0.00 H new ATOM 1456 N PRO A 103 -17.739 -9.967 0.717 1.00 0.00 N ATOM 1457 CA PRO A 103 -18.311 -10.927 -0.272 1.00 0.00 C ATOM 1458 C PRO A 103 -19.794 -11.164 0.054 1.00 0.00 C ATOM 1459 O PRO A 103 -20.519 -11.787 -0.696 1.00 0.00 O ATOM 1460 CB PRO A 103 -17.492 -12.188 -0.028 1.00 0.00 C ATOM 1461 CG PRO A 103 -16.957 -12.114 1.399 1.00 0.00 C ATOM 1462 CD PRO A 103 -17.104 -10.667 1.883 1.00 0.00 C ATOM 0 HA PRO A 103 -18.267 -10.588 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.108 -13.078 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.672 -12.258 -0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.510 -12.792 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -15.912 -12.423 1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.726 -10.604 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.139 -10.229 2.136 1.00 0.00 H new ATOM 1470 N TRP A 104 -20.229 -10.700 1.202 1.00 0.00 N ATOM 1471 CA TRP A 104 -21.662 -10.931 1.626 1.00 0.00 C ATOM 1472 C TRP A 104 -22.678 -10.067 0.865 1.00 0.00 C ATOM 1473 O TRP A 104 -23.865 -10.304 0.954 1.00 0.00 O ATOM 1474 CB TRP A 104 -21.830 -10.708 3.143 1.00 0.00 C ATOM 1475 CG TRP A 104 -22.266 -9.304 3.518 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -23.101 -9.063 4.551 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -21.934 -7.966 2.962 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -23.289 -7.708 4.680 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.603 -6.992 3.741 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -21.143 -7.487 1.897 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.492 -5.626 3.488 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.035 -6.101 1.639 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -21.707 -5.178 2.437 1.00 0.00 C ATOM 0 H TRP A 104 -19.662 -10.173 1.866 1.00 0.00 H new ATOM 0 HA TRP A 104 -21.876 -11.970 1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -22.563 -11.419 3.525 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -20.884 -10.928 3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -23.551 -9.818 5.179 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -23.876 -7.284 5.398 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.613 -8.188 1.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.017 -4.917 4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.427 -5.755 0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.617 -4.120 2.238 1.00 0.00 H new ATOM 1494 N LEU A 105 -22.266 -9.079 0.129 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.247 -8.254 -0.586 1.00 0.00 C ATOM 1496 C LEU A 105 -22.550 -7.537 -1.751 1.00 0.00 C ATOM 1497 O LEU A 105 -23.028 -6.524 -2.227 1.00 0.00 O ATOM 1498 CB LEU A 105 -23.818 -7.211 0.372 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.635 -7.862 1.504 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -25.145 -6.767 2.429 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -25.820 -8.627 0.910 1.00 0.00 C ATOM 0 H LEU A 105 -21.290 -8.813 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.050 -8.885 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.004 -6.627 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -24.451 -6.517 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.008 -8.558 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.726 -7.214 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.299 -6.222 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -25.776 -6.079 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.396 -9.086 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.457 -7.938 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.452 -9.402 0.238 1.00 0.00 H new ATOM 1513 N ASN A 106 -21.437 -8.051 -2.233 1.00 0.00 N ATOM 1514 CA ASN A 106 -20.747 -7.392 -3.366 1.00 0.00 C ATOM 1515 C ASN A 106 -19.459 -8.131 -3.698 1.00 0.00 C ATOM 1516 O ASN A 106 -19.416 -8.941 -4.598 1.00 0.00 O ATOM 1517 CB ASN A 106 -20.451 -5.906 -3.061 1.00 0.00 C ATOM 1518 CG ASN A 106 -19.958 -5.223 -4.339 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -19.238 -5.814 -5.120 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -20.314 -3.991 -4.587 1.00 0.00 N ATOM 0 H ASN A 106 -20.987 -8.897 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 106 -21.411 -7.428 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.350 -5.411 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -19.698 -5.825 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.988 -3.527 -5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.918 -3.493 -3.933 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.431 -7.842 -2.974 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.090 -8.488 -3.215 1.00 0.00 C ATOM 1529 C GLN A 107 -15.990 -7.691 -2.501 1.00 0.00 C ATOM 1530 O GLN A 107 -16.250 -6.800 -1.711 1.00 0.00 O ATOM 1531 CB GLN A 107 -16.785 -8.492 -4.725 1.00 0.00 C ATOM 1532 CG GLN A 107 -15.857 -9.661 -5.065 1.00 0.00 C ATOM 1533 CD GLN A 107 -14.632 -9.134 -5.816 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -14.503 -7.945 -6.033 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -13.719 -9.973 -6.223 1.00 0.00 N ATOM 0 H GLN A 107 -18.445 -7.173 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.117 -9.508 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -17.712 -8.575 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.319 -7.550 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.547 -10.171 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -16.385 -10.393 -5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.826 -10.971 -6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.898 -9.631 -6.723 1.00 0.00 H new ATOM 1544 N ILE A 108 -14.757 -8.004 -2.787 1.00 0.00 N ATOM 1545 CA ILE A 108 -13.622 -7.260 -2.170 1.00 0.00 C ATOM 1546 C ILE A 108 -13.170 -6.191 -3.174 1.00 0.00 C ATOM 1547 O ILE A 108 -13.398 -6.323 -4.359 1.00 0.00 O ATOM 1548 CB ILE A 108 -12.471 -8.229 -1.888 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -11.387 -7.523 -1.071 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -11.876 -8.709 -3.215 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -10.183 -8.453 -0.913 1.00 0.00 C ATOM 0 H ILE A 108 -14.484 -8.750 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.925 -6.797 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.848 -9.082 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.085 -6.601 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.777 -7.245 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.056 -9.399 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.646 -9.217 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.502 -7.853 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.410 -7.951 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.491 -9.363 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.789 -8.708 -1.897 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.549 -5.129 -2.729 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.123 -4.079 -3.703 1.00 0.00 C ATOM 1565 C LYS A 109 -10.905 -3.312 -3.179 1.00 0.00 C ATOM 1566 O LYS A 109 -10.291 -3.680 -2.199 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.275 -3.097 -3.924 1.00 0.00 C ATOM 1568 CG LYS A 109 -13.481 -2.876 -5.424 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.673 -3.706 -5.902 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.844 -2.776 -6.231 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.916 -2.944 -5.209 1.00 0.00 N ATOM 0 H LYS A 109 -12.321 -4.944 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.855 -4.565 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.189 -3.486 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.057 -2.149 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.655 -1.819 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.583 -3.161 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.396 -4.285 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.966 -4.418 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.505 -1.740 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.234 -3.003 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.711 -2.312 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.246 -3.930 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.540 -2.707 -4.269 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.572 -2.232 -3.836 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.422 -1.399 -3.421 1.00 0.00 C ATOM 1587 C LEU A 110 -9.804 0.064 -3.656 1.00 0.00 C ATOM 1588 O LEU A 110 -9.594 0.609 -4.721 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.205 -1.751 -4.271 1.00 0.00 C ATOM 1590 CG LEU A 110 -6.978 -0.981 -3.770 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.078 0.481 -4.209 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -6.912 -1.052 -2.241 1.00 0.00 C ATOM 0 H LEU A 110 -11.065 -1.891 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.179 -1.571 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.016 -2.823 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.397 -1.506 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.077 -1.427 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.205 1.028 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.119 0.532 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.981 0.926 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.038 -0.504 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.814 -0.610 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.837 -2.093 -1.928 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.386 0.683 -2.673 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.821 2.100 -2.802 1.00 0.00 C ATOM 1606 C LEU A 111 -9.793 2.885 -3.612 1.00 0.00 C ATOM 1607 O LEU A 111 -10.053 3.307 -4.721 1.00 0.00 O ATOM 1608 CB LEU A 111 -10.954 2.713 -1.407 1.00 0.00 C ATOM 1609 CG LEU A 111 -11.989 3.840 -1.441 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.396 3.239 -1.470 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -11.833 4.716 -0.197 1.00 0.00 C ATOM 0 H LEU A 111 -10.583 0.259 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.782 2.141 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.256 1.949 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.991 3.100 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.835 4.448 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.134 4.041 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.507 2.616 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.550 2.631 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.570 5.518 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.986 4.110 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.831 5.145 -0.177 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.626 3.079 -3.072 1.00 0.00 N ATOM 1624 CA GLU A 112 -7.585 3.837 -3.837 1.00 0.00 C ATOM 1625 C GLU A 112 -6.410 4.185 -2.926 1.00 0.00 C ATOM 1626 O GLU A 112 -6.315 3.725 -1.805 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.182 5.142 -4.405 1.00 0.00 C ATOM 1628 CG GLU A 112 -9.079 5.803 -3.353 1.00 0.00 C ATOM 1629 CD GLU A 112 -9.654 7.104 -3.917 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -8.950 7.764 -4.665 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -10.787 7.419 -3.593 1.00 0.00 O ATOM 0 H GLU A 112 -8.344 2.753 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.239 3.208 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.382 5.823 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.758 4.928 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.887 5.127 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.506 6.008 -2.448 1.00 0.00 H new ATOM 1638 N SER A 113 -5.514 5.001 -3.408 1.00 0.00 N ATOM 1639 CA SER A 113 -4.335 5.392 -2.586 1.00 0.00 C ATOM 1640 C SER A 113 -4.582 6.763 -1.954 1.00 0.00 C ATOM 1641 O SER A 113 -5.319 7.577 -2.473 1.00 0.00 O ATOM 1642 CB SER A 113 -3.087 5.457 -3.475 1.00 0.00 C ATOM 1643 OG SER A 113 -2.983 6.752 -4.050 1.00 0.00 O ATOM 0 H SER A 113 -5.548 5.415 -4.339 1.00 0.00 H new ATOM 0 HA SER A 113 -4.183 4.652 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.196 5.236 -2.887 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.146 4.703 -4.260 1.00 0.00 H new ATOM 0 HG SER A 113 -2.277 7.256 -3.595 1.00 0.00 H new ATOM 1649 N LYS A 114 -3.968 7.020 -0.834 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.156 8.333 -0.155 1.00 0.00 C ATOM 1651 C LYS A 114 -2.785 8.875 0.279 1.00 0.00 C ATOM 1652 O LYS A 114 -2.382 8.710 1.414 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.041 8.140 1.078 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.346 7.457 0.664 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.494 7.979 1.529 1.00 0.00 C ATOM 1656 CE LYS A 114 -8.633 8.460 0.626 1.00 0.00 C ATOM 1657 NZ LYS A 114 -9.916 8.423 1.384 1.00 0.00 N ATOM 0 H LYS A 114 -3.340 6.374 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.630 9.039 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.521 7.536 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.253 9.103 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.552 7.652 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.255 6.377 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.850 7.192 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.146 8.796 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.433 9.473 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.702 7.827 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.691 8.750 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.108 7.449 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.846 9.044 2.215 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.057 9.511 -0.607 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.717 10.048 -0.219 1.00 0.00 C ATOM 1673 C CYS A 115 -0.662 11.552 -0.499 1.00 0.00 C ATOM 1674 O CYS A 115 -1.406 12.071 -1.305 1.00 0.00 O ATOM 1675 CB CYS A 115 0.412 9.347 -0.999 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.236 7.976 -1.997 1.00 0.00 S ATOM 0 H CYS A 115 -2.331 9.680 -1.575 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.574 9.859 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.912 10.067 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.161 8.971 -0.302 1.00 0.00 H new ATOM 1681 N GLN A 116 0.216 12.252 0.169 1.00 0.00 N ATOM 1682 CA GLN A 116 0.323 13.726 -0.047 1.00 0.00 C ATOM 1683 C GLN A 116 -0.991 14.394 0.362 1.00 0.00 C ATOM 1684 CB GLN A 116 0.608 14.021 -1.528 1.00 0.00 C ATOM 1685 CG GLN A 116 0.385 15.511 -1.803 1.00 0.00 C ATOM 1686 CD GLN A 116 1.461 16.016 -2.766 1.00 0.00 C ATOM 1687 OE1 GLN A 116 1.246 16.073 -3.961 1.00 0.00 O ATOM 1688 NE2 GLN A 116 2.619 16.390 -2.293 1.00 0.00 N ATOM 0 H GLN A 116 0.865 11.867 0.856 1.00 0.00 H new ATOM 0 HA GLN A 116 1.140 14.119 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.633 13.744 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.045 13.421 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.605 15.669 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.423 16.074 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.800 16.342 -1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 116 3.343 16.730 -2.926 1.00 0.00 H new TER 1697 GLN A 116