USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 843 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 54 THR OG1 : rot 95:sc= 1.19 USER MOD Set 1.2: A 58 GLN : amide:sc= 1.92 K(o=3.1,f=2.2) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 132:sc= 0.836 (180deg=-0.43) USER MOD Set 2.2: A 23 CYS SG : rot -164:sc= 0.107 USER MOD Set 3.1: A 7 ASN : amide:sc= 0.618 K(o=1.2,f=-0.13) USER MOD Set 3.2: A 60 TYR OH : rot 30:sc= 0.554 USER MOD Single : A 3 GLN : amide:sc= -0.437 K(o=-0.44,f=-5.4!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= 0.584 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0087) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 41:sc= -0.994 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 34 SER OG : rot -39:sc= 0.164 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -3.03! C(o=-3!,f=-7.1!) USER MOD Single : A 53 HIS : no HE2:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 55 ASN : amide:sc=-0.00784 K(o=-0.0078,f=-0.83) USER MOD Single : A 62 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-4.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 65 THR OG1 : rot -40:sc= 1.57 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 17:sc= -0.0697 USER MOD Single : A 83 CYS SG : rot 157:sc= -0.852 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 91 GLN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 92 SER OG : rot -136:sc= 1.28 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00375 USER MOD Single : A 100 LYS NZ :NH3+ -135:sc= 0.61 (180deg=-0.133) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 106 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.414 16.506 -7.643 1.00 0.00 N ATOM 2 CA ALA A 2 -1.740 15.338 -8.227 1.00 0.00 C ATOM 3 C ALA A 2 -2.613 14.104 -8.018 1.00 0.00 C ATOM 4 O ALA A 2 -2.667 13.574 -6.906 1.00 0.00 O ATOM 5 CB ALA A 2 -0.345 15.136 -7.618 1.00 0.00 C ATOM 0 HA ALA A 2 -1.600 15.505 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.127 14.264 -8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.266 16.019 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.436 14.981 -6.543 1.00 0.00 H new ATOM 10 N GLN A 3 -3.293 13.632 -9.067 1.00 0.00 N ATOM 11 CA GLN A 3 -4.238 12.523 -8.999 1.00 0.00 C ATOM 12 C GLN A 3 -3.664 11.336 -9.773 1.00 0.00 C ATOM 13 O GLN A 3 -3.591 10.232 -9.230 1.00 0.00 O ATOM 14 CB GLN A 3 -5.637 12.935 -9.496 1.00 0.00 C ATOM 15 CG GLN A 3 -6.288 14.067 -8.671 1.00 0.00 C ATOM 16 CD GLN A 3 -5.947 15.487 -9.137 1.00 0.00 C ATOM 17 OE1 GLN A 3 -4.828 15.981 -8.994 1.00 0.00 O ATOM 18 NE2 GLN A 3 -6.889 16.193 -9.728 1.00 0.00 N ATOM 0 H GLN A 3 -3.197 14.021 -10.005 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.375 12.225 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.563 13.254 -10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.290 12.063 -9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.370 13.941 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.983 13.959 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.820 15.797 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.687 17.136 -10.060 1.00 0.00 H new ATOM 27 N GLU A 4 -3.171 11.570 -10.989 1.00 0.00 N ATOM 28 CA GLU A 4 -2.669 10.539 -11.886 1.00 0.00 C ATOM 29 C GLU A 4 -1.538 9.692 -11.297 1.00 0.00 C ATOM 30 O GLU A 4 -1.429 8.526 -11.677 1.00 0.00 O ATOM 31 CB GLU A 4 -2.182 11.193 -13.185 1.00 0.00 C ATOM 32 CG GLU A 4 -2.123 10.235 -14.376 1.00 0.00 C ATOM 33 CD GLU A 4 -3.528 9.976 -14.900 1.00 0.00 C ATOM 34 OE1 GLU A 4 -4.247 9.120 -14.342 1.00 0.00 O ATOM 35 OE2 GLU A 4 -3.951 10.684 -15.844 1.00 0.00 O ATOM 0 H GLU A 4 -3.110 12.508 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.502 9.859 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.843 12.024 -13.432 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.190 11.613 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.503 10.660 -15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.658 9.296 -14.076 1.00 0.00 H new ATOM 42 N PHE A 5 -0.690 10.242 -10.417 1.00 0.00 N ATOM 43 CA PHE A 5 0.466 9.517 -9.890 1.00 0.00 C ATOM 44 C PHE A 5 -0.015 8.258 -9.178 1.00 0.00 C ATOM 45 O PHE A 5 0.306 7.153 -9.602 1.00 0.00 O ATOM 46 CB PHE A 5 1.329 10.400 -8.977 1.00 0.00 C ATOM 47 CG PHE A 5 2.716 9.838 -8.683 1.00 0.00 C ATOM 48 CD1 PHE A 5 2.886 8.688 -7.883 1.00 0.00 C ATOM 49 CD2 PHE A 5 3.857 10.481 -9.202 1.00 0.00 C ATOM 50 CE1 PHE A 5 4.176 8.191 -7.616 1.00 0.00 C ATOM 51 CE2 PHE A 5 5.146 9.997 -8.915 1.00 0.00 C ATOM 52 CZ PHE A 5 5.309 8.852 -8.119 1.00 0.00 C ATOM 0 H PHE A 5 -0.787 11.191 -10.056 1.00 0.00 H new ATOM 0 HA PHE A 5 1.110 9.227 -10.720 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.439 11.381 -9.439 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.803 10.549 -8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.022 8.186 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.741 11.354 -9.827 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.295 7.297 -7.022 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.013 10.508 -9.308 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.299 8.482 -7.895 1.00 0.00 H new ATOM 62 N VAL A 6 -0.831 8.404 -8.134 1.00 0.00 N ATOM 63 CA VAL A 6 -1.382 7.270 -7.409 1.00 0.00 C ATOM 64 C VAL A 6 -2.277 6.477 -8.361 1.00 0.00 C ATOM 65 O VAL A 6 -2.163 5.252 -8.407 1.00 0.00 O ATOM 66 CB VAL A 6 -2.146 7.784 -6.168 1.00 0.00 C ATOM 67 CG1 VAL A 6 -3.193 6.811 -5.616 1.00 0.00 C ATOM 68 CG2 VAL A 6 -1.173 8.140 -5.035 1.00 0.00 C ATOM 0 H VAL A 6 -1.125 9.311 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.596 6.605 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.679 8.666 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.679 7.254 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.939 6.605 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.707 5.880 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.735 8.499 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.603 7.255 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.490 8.919 -5.373 1.00 0.00 H new ATOM 78 N ASN A 7 -3.138 7.163 -9.121 1.00 0.00 N ATOM 79 CA ASN A 7 -4.175 6.531 -9.928 1.00 0.00 C ATOM 80 C ASN A 7 -3.581 5.502 -10.891 1.00 0.00 C ATOM 81 O ASN A 7 -4.031 4.360 -10.924 1.00 0.00 O ATOM 82 CB ASN A 7 -4.961 7.607 -10.688 1.00 0.00 C ATOM 83 CG ASN A 7 -6.267 7.061 -11.238 1.00 0.00 C ATOM 84 OD1 ASN A 7 -6.291 6.344 -12.236 1.00 0.00 O ATOM 85 ND2 ASN A 7 -7.369 7.409 -10.601 1.00 0.00 N ATOM 0 H ASN A 7 -3.130 8.181 -9.190 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.855 5.996 -9.266 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.168 8.445 -10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.353 7.992 -11.507 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.276 7.081 -10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.314 8.006 -9.775 1.00 0.00 H new ATOM 92 N CYS A 8 -2.549 5.902 -11.642 1.00 0.00 N ATOM 93 CA CYS A 8 -1.877 5.056 -12.615 1.00 0.00 C ATOM 94 C CYS A 8 -0.854 4.125 -11.950 1.00 0.00 C ATOM 95 O CYS A 8 -0.538 3.079 -12.520 1.00 0.00 O ATOM 96 CB CYS A 8 -1.192 5.954 -13.657 1.00 0.00 C ATOM 97 SG CYS A 8 -0.767 5.021 -15.157 1.00 0.00 S ATOM 0 H CYS A 8 -2.156 6.841 -11.584 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.617 4.419 -13.098 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.852 6.782 -13.916 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.289 6.388 -13.228 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.193 5.813 -16.013 1.00 0.00 H new ATOM 103 N LYS A 9 -0.294 4.475 -10.782 1.00 0.00 N ATOM 104 CA LYS A 9 0.636 3.584 -10.086 1.00 0.00 C ATOM 105 C LYS A 9 -0.077 2.320 -9.623 1.00 0.00 C ATOM 106 O LYS A 9 0.546 1.260 -9.671 1.00 0.00 O ATOM 107 CB LYS A 9 1.319 4.274 -8.892 1.00 0.00 C ATOM 108 CG LYS A 9 2.544 5.128 -9.268 1.00 0.00 C ATOM 109 CD LYS A 9 3.775 4.290 -9.639 1.00 0.00 C ATOM 110 CE LYS A 9 5.092 5.068 -9.501 1.00 0.00 C ATOM 111 NZ LYS A 9 5.171 6.283 -10.340 1.00 0.00 N ATOM 0 H LYS A 9 -0.469 5.360 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 9 1.415 3.316 -10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.590 4.908 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.628 3.513 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.285 5.773 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.795 5.780 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.812 3.407 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.673 3.938 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.225 5.352 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.920 4.407 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.072 6.288 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.382 6.289 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.115 7.127 -9.735 1.00 0.00 H new ATOM 125 N ILE A 10 -1.326 2.377 -9.150 1.00 0.00 N ATOM 126 CA ILE A 10 -2.020 1.146 -8.792 1.00 0.00 C ATOM 127 C ILE A 10 -2.462 0.461 -10.088 1.00 0.00 C ATOM 128 O ILE A 10 -2.728 1.107 -11.100 1.00 0.00 O ATOM 129 CB ILE A 10 -3.237 1.406 -7.882 1.00 0.00 C ATOM 130 CG1 ILE A 10 -3.016 2.466 -6.782 1.00 0.00 C ATOM 131 CG2 ILE A 10 -3.664 0.117 -7.157 1.00 0.00 C ATOM 132 CD1 ILE A 10 -4.224 3.390 -6.722 1.00 0.00 C ATOM 0 H ILE A 10 -1.860 3.235 -9.011 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.341 0.508 -8.226 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.997 1.776 -8.570 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.867 1.980 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.114 3.041 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.524 0.325 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.931 -0.642 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.839 -0.246 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.070 4.140 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.351 3.885 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.116 2.808 -6.493 1.00 0.00 H new ATOM 144 N GLN A 11 -2.630 -0.854 -10.023 1.00 0.00 N ATOM 145 CA GLN A 11 -3.377 -1.659 -10.975 1.00 0.00 C ATOM 146 C GLN A 11 -4.016 -2.815 -10.189 1.00 0.00 C ATOM 147 O GLN A 11 -3.633 -3.043 -9.031 1.00 0.00 O ATOM 148 CB GLN A 11 -2.425 -2.148 -12.083 1.00 0.00 C ATOM 149 CG GLN A 11 -1.170 -2.865 -11.568 1.00 0.00 C ATOM 150 CD GLN A 11 -0.393 -3.552 -12.686 1.00 0.00 C ATOM 151 OE1 GLN A 11 -0.175 -4.758 -12.648 1.00 0.00 O ATOM 152 NE2 GLN A 11 0.087 -2.819 -13.674 1.00 0.00 N ATOM 0 H GLN A 11 -2.229 -1.412 -9.269 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.166 -1.091 -11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.970 -2.824 -12.742 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.119 -1.293 -12.686 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.522 -2.144 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.458 -3.605 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.097 -1.816 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.642 -3.256 -14.410 1.00 0.00 H new ATOM 161 N PRO A 12 -4.972 -3.565 -10.759 1.00 0.00 N ATOM 162 CA PRO A 12 -5.271 -4.897 -10.257 1.00 0.00 C ATOM 163 C PRO A 12 -4.046 -5.798 -10.496 1.00 0.00 C ATOM 164 O PRO A 12 -3.200 -5.501 -11.341 1.00 0.00 O ATOM 165 CB PRO A 12 -6.520 -5.340 -11.018 1.00 0.00 C ATOM 166 CG PRO A 12 -6.405 -4.606 -12.354 1.00 0.00 C ATOM 167 CD PRO A 12 -5.720 -3.291 -11.979 1.00 0.00 C ATOM 0 HA PRO A 12 -5.468 -4.941 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.544 -6.421 -11.155 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.432 -5.066 -10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.817 -5.174 -13.075 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.383 -4.435 -12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.057 -2.954 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.453 -2.500 -11.819 1.00 0.00 H new ATOM 175 N GLY A 13 -3.927 -6.896 -9.750 1.00 0.00 N ATOM 176 CA GLY A 13 -2.830 -7.845 -9.912 1.00 0.00 C ATOM 177 C GLY A 13 -1.442 -7.249 -9.629 1.00 0.00 C ATOM 178 O GLY A 13 -0.456 -7.667 -10.239 1.00 0.00 O ATOM 0 H GLY A 13 -4.589 -7.151 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.994 -8.691 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.847 -8.234 -10.930 1.00 0.00 H new ATOM 182 N LYS A 14 -1.347 -6.296 -8.698 1.00 0.00 N ATOM 183 CA LYS A 14 -0.128 -5.828 -8.030 1.00 0.00 C ATOM 184 C LYS A 14 -0.465 -5.451 -6.591 1.00 0.00 C ATOM 185 O LYS A 14 -1.600 -5.060 -6.319 1.00 0.00 O ATOM 186 CB LYS A 14 0.488 -4.640 -8.797 1.00 0.00 C ATOM 187 CG LYS A 14 2.015 -4.730 -8.930 1.00 0.00 C ATOM 188 CD LYS A 14 2.633 -3.494 -9.605 1.00 0.00 C ATOM 189 CE LYS A 14 2.995 -3.703 -11.079 1.00 0.00 C ATOM 190 NZ LYS A 14 4.163 -4.596 -11.236 1.00 0.00 N ATOM 0 H LYS A 14 -2.174 -5.798 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 14 0.616 -6.624 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.046 -4.590 -9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.229 -3.713 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.454 -4.854 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.272 -5.619 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.932 -2.663 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.531 -3.206 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.140 -4.126 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.210 -2.739 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.419 -4.659 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.967 -4.214 -10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.926 -5.544 -10.879 1.00 0.00 H new ATOM 204 N VAL A 15 0.489 -5.557 -5.673 1.00 0.00 N ATOM 205 CA VAL A 15 0.377 -5.114 -4.293 1.00 0.00 C ATOM 206 C VAL A 15 1.162 -3.804 -4.165 1.00 0.00 C ATOM 207 O VAL A 15 2.308 -3.775 -3.726 1.00 0.00 O ATOM 208 CB VAL A 15 0.881 -6.222 -3.346 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.654 -5.791 -1.898 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.176 -7.564 -3.586 1.00 0.00 C ATOM 0 H VAL A 15 1.398 -5.971 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.658 -4.924 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 15 1.943 -6.365 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.009 -6.572 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.201 -4.868 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.410 -5.625 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.567 -8.310 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.896 -7.446 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.355 -7.891 -4.610 1.00 0.00 H new ATOM 220 N VAL A 16 0.564 -2.704 -4.601 1.00 0.00 N ATOM 221 CA VAL A 16 1.184 -1.391 -4.537 1.00 0.00 C ATOM 222 C VAL A 16 0.915 -0.801 -3.153 1.00 0.00 C ATOM 223 O VAL A 16 -0.166 -0.972 -2.597 1.00 0.00 O ATOM 224 CB VAL A 16 0.648 -0.585 -5.732 1.00 0.00 C ATOM 225 CG1 VAL A 16 0.796 0.935 -5.605 1.00 0.00 C ATOM 226 CG2 VAL A 16 1.404 -1.099 -6.969 1.00 0.00 C ATOM 0 H VAL A 16 -0.370 -2.699 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 16 2.270 -1.399 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.429 -0.739 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.390 1.416 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.253 1.281 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.851 1.191 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.064 -0.560 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.474 -0.937 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.211 -2.164 -7.097 1.00 0.00 H new ATOM 236 N VAL A 17 1.891 -0.120 -2.562 1.00 0.00 N ATOM 237 CA VAL A 17 1.803 0.444 -1.225 1.00 0.00 C ATOM 238 C VAL A 17 2.428 1.824 -1.283 1.00 0.00 C ATOM 239 O VAL A 17 3.616 1.928 -1.564 1.00 0.00 O ATOM 240 CB VAL A 17 2.547 -0.456 -0.224 1.00 0.00 C ATOM 241 CG1 VAL A 17 2.347 0.070 1.207 1.00 0.00 C ATOM 242 CG2 VAL A 17 2.112 -1.922 -0.328 1.00 0.00 C ATOM 0 H VAL A 17 2.788 0.058 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 17 0.767 0.512 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 17 3.607 -0.421 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.877 -0.574 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.737 1.085 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.284 0.072 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.665 -2.518 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.044 -2.000 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.317 -2.292 -1.333 1.00 0.00 H new ATOM 252 N PHE A 18 1.659 2.882 -1.049 1.00 0.00 N ATOM 253 CA PHE A 18 2.235 4.219 -1.024 1.00 0.00 C ATOM 254 C PHE A 18 2.861 4.431 0.359 1.00 0.00 C ATOM 255 O PHE A 18 2.220 4.132 1.375 1.00 0.00 O ATOM 256 CB PHE A 18 1.167 5.262 -1.374 1.00 0.00 C ATOM 257 CG PHE A 18 0.641 5.056 -2.773 1.00 0.00 C ATOM 258 CD1 PHE A 18 1.393 5.513 -3.872 1.00 0.00 C ATOM 259 CD2 PHE A 18 -0.556 4.349 -2.977 1.00 0.00 C ATOM 260 CE1 PHE A 18 0.943 5.267 -5.178 1.00 0.00 C ATOM 261 CE2 PHE A 18 -1.005 4.107 -4.283 1.00 0.00 C ATOM 262 CZ PHE A 18 -0.259 4.571 -5.381 1.00 0.00 C ATOM 0 H PHE A 18 0.654 2.842 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 18 3.017 4.333 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.345 5.198 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.589 6.263 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.315 6.052 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.127 3.994 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.519 5.612 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.924 3.564 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.613 4.391 -6.385 1.00 0.00 H new ATOM 272 N ILE A 19 4.100 4.920 0.400 1.00 0.00 N ATOM 273 CA ILE A 19 4.920 5.096 1.594 1.00 0.00 C ATOM 274 C ILE A 19 5.713 6.399 1.533 1.00 0.00 C ATOM 275 O ILE A 19 5.839 7.016 0.480 1.00 0.00 O ATOM 276 CB ILE A 19 5.940 3.939 1.738 1.00 0.00 C ATOM 277 CG1 ILE A 19 6.995 3.886 0.604 1.00 0.00 C ATOM 278 CG2 ILE A 19 5.273 2.576 1.904 1.00 0.00 C ATOM 279 CD1 ILE A 19 8.427 3.908 1.148 1.00 0.00 C ATOM 0 H ILE A 19 4.583 5.220 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 19 4.237 5.111 2.443 1.00 0.00 H new ATOM 0 HB ILE A 19 6.474 4.171 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.846 2.982 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.849 4.733 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.038 1.806 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.650 2.582 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.654 2.365 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.132 3.869 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.586 4.824 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.583 3.046 1.797 1.00 0.00 H new ATOM 291 N LYS A 20 6.358 6.757 2.638 1.00 0.00 N ATOM 292 CA LYS A 20 7.436 7.740 2.713 1.00 0.00 C ATOM 293 C LYS A 20 8.449 7.166 3.698 1.00 0.00 C ATOM 294 O LYS A 20 8.023 6.560 4.684 1.00 0.00 O ATOM 295 CB LYS A 20 6.914 9.128 3.150 1.00 0.00 C ATOM 296 CG LYS A 20 5.710 9.097 4.110 1.00 0.00 C ATOM 297 CD LYS A 20 5.148 10.483 4.466 1.00 0.00 C ATOM 298 CE LYS A 20 5.919 11.207 5.564 1.00 0.00 C ATOM 299 NZ LYS A 20 5.731 10.613 6.904 1.00 0.00 N ATOM 0 H LYS A 20 6.135 6.352 3.547 1.00 0.00 H new ATOM 0 HA LYS A 20 7.893 7.908 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.728 9.671 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.635 9.692 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.916 8.501 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.006 8.591 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.146 11.103 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.110 10.372 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.981 11.200 5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.605 12.251 5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.656 10.490 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.139 11.242 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.265 9.688 6.811 1.00 0.00 H new ATOM 313 N PRO A 21 9.765 7.349 3.506 1.00 0.00 N ATOM 314 CA PRO A 21 10.754 6.793 4.419 1.00 0.00 C ATOM 315 C PRO A 21 10.773 7.566 5.747 1.00 0.00 C ATOM 316 O PRO A 21 11.428 7.143 6.698 1.00 0.00 O ATOM 317 CB PRO A 21 12.092 6.918 3.686 1.00 0.00 C ATOM 318 CG PRO A 21 11.898 8.188 2.860 1.00 0.00 C ATOM 319 CD PRO A 21 10.421 8.113 2.458 1.00 0.00 C ATOM 0 HA PRO A 21 10.532 5.758 4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.928 7.009 4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.293 6.051 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.113 9.085 3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.553 8.207 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.988 9.110 2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.303 7.629 1.489 1.00 0.00 H new ATOM 327 N THR A 22 10.106 8.716 5.827 1.00 0.00 N ATOM 328 CA THR A 22 10.010 9.554 7.009 1.00 0.00 C ATOM 329 C THR A 22 8.810 9.169 7.888 1.00 0.00 C ATOM 330 O THR A 22 8.721 9.642 9.023 1.00 0.00 O ATOM 331 CB THR A 22 10.004 11.023 6.550 1.00 0.00 C ATOM 332 OG1 THR A 22 9.179 11.194 5.410 1.00 0.00 O ATOM 333 CG2 THR A 22 11.418 11.463 6.161 1.00 0.00 C ATOM 0 H THR A 22 9.597 9.101 5.031 1.00 0.00 H new ATOM 0 HA THR A 22 10.873 9.402 7.657 1.00 0.00 H new ATOM 0 HB THR A 22 9.627 11.620 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.189 12.135 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.399 12.504 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.080 11.362 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.783 10.837 5.346 1.00 0.00 H new ATOM 341 N CYS A 23 7.905 8.292 7.425 1.00 0.00 N ATOM 342 CA CYS A 23 6.978 7.575 8.286 1.00 0.00 C ATOM 343 C CYS A 23 7.721 6.405 8.964 1.00 0.00 C ATOM 344 O CYS A 23 8.160 5.500 8.245 1.00 0.00 O ATOM 345 CB CYS A 23 5.843 7.000 7.428 1.00 0.00 C ATOM 346 SG CYS A 23 4.392 8.019 7.170 1.00 0.00 S ATOM 0 H CYS A 23 7.803 8.066 6.436 1.00 0.00 H new ATOM 0 HA CYS A 23 6.576 8.252 9.040 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.255 6.751 6.450 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.519 6.065 7.885 1.00 0.00 H new ATOM 0 HG CYS A 23 3.417 7.282 6.727 1.00 0.00 H new ATOM 351 N PRO A 24 7.740 6.309 10.305 1.00 0.00 N ATOM 352 CA PRO A 24 8.185 5.092 10.981 1.00 0.00 C ATOM 353 C PRO A 24 7.205 3.941 10.706 1.00 0.00 C ATOM 354 O PRO A 24 7.581 2.768 10.709 1.00 0.00 O ATOM 355 CB PRO A 24 8.231 5.458 12.464 1.00 0.00 C ATOM 356 CG PRO A 24 7.128 6.506 12.602 1.00 0.00 C ATOM 357 CD PRO A 24 7.121 7.225 11.253 1.00 0.00 C ATOM 0 HA PRO A 24 9.158 4.747 10.630 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.044 4.591 13.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.204 5.858 12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.163 6.043 12.811 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.335 7.196 13.420 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.104 7.473 10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.675 8.162 11.308 1.00 0.00 H new ATOM 365 N TYR A 25 5.957 4.273 10.375 1.00 0.00 N ATOM 366 CA TYR A 25 4.906 3.307 10.137 1.00 0.00 C ATOM 367 C TYR A 25 5.123 2.605 8.801 1.00 0.00 C ATOM 368 O TYR A 25 4.741 1.442 8.652 1.00 0.00 O ATOM 369 CB TYR A 25 3.579 4.058 10.071 1.00 0.00 C ATOM 370 CG TYR A 25 3.115 4.682 11.366 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.675 3.858 12.418 1.00 0.00 C ATOM 372 CD2 TYR A 25 3.060 6.084 11.496 1.00 0.00 C ATOM 373 CE1 TYR A 25 2.171 4.429 13.598 1.00 0.00 C ATOM 374 CE2 TYR A 25 2.531 6.656 12.666 1.00 0.00 C ATOM 375 CZ TYR A 25 2.074 5.831 13.718 1.00 0.00 C ATOM 376 OH TYR A 25 1.531 6.365 14.846 1.00 0.00 O ATOM 0 H TYR A 25 5.652 5.240 10.265 1.00 0.00 H new ATOM 0 HA TYR A 25 4.907 2.566 10.937 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.664 4.844 9.320 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.809 3.368 9.725 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.725 2.784 12.318 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.423 6.717 10.700 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.858 3.794 14.414 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.474 7.730 12.761 1.00 0.00 H new ATOM 0 HH TYR A 25 1.535 7.343 14.780 1.00 0.00 H new ATOM 386 N CYS A 26 5.757 3.271 7.829 1.00 0.00 N ATOM 387 CA CYS A 26 6.006 2.651 6.543 1.00 0.00 C ATOM 388 C CYS A 26 7.028 1.518 6.718 1.00 0.00 C ATOM 389 O CYS A 26 6.915 0.494 6.048 1.00 0.00 O ATOM 390 CB CYS A 26 6.467 3.705 5.535 1.00 0.00 C ATOM 391 SG CYS A 26 5.039 4.728 5.056 1.00 0.00 S ATOM 0 H CYS A 26 6.100 4.228 7.916 1.00 0.00 H new ATOM 0 HA CYS A 26 5.089 2.214 6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.247 4.328 5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.897 3.224 4.657 1.00 0.00 H new ATOM 0 HG CYS A 26 4.315 4.981 6.106 1.00 0.00 H new ATOM 397 N ARG A 27 7.972 1.637 7.660 1.00 0.00 N ATOM 398 CA ARG A 27 8.925 0.565 7.945 1.00 0.00 C ATOM 399 C ARG A 27 8.235 -0.670 8.524 1.00 0.00 C ATOM 400 O ARG A 27 8.610 -1.787 8.170 1.00 0.00 O ATOM 401 CB ARG A 27 10.007 1.072 8.902 1.00 0.00 C ATOM 402 CG ARG A 27 11.255 0.188 8.811 1.00 0.00 C ATOM 403 CD ARG A 27 12.246 0.543 9.919 1.00 0.00 C ATOM 404 NE ARG A 27 13.621 0.614 9.408 1.00 0.00 N ATOM 405 CZ ARG A 27 14.443 -0.399 9.129 1.00 0.00 C ATOM 406 NH1 ARG A 27 14.069 -1.666 9.270 1.00 0.00 N ATOM 407 NH2 ARG A 27 15.667 -0.133 8.703 1.00 0.00 N ATOM 0 H ARG A 27 8.094 2.469 8.238 1.00 0.00 H new ATOM 0 HA ARG A 27 9.386 0.267 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.265 2.102 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.627 1.072 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.971 -0.861 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.728 0.316 7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.971 1.500 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.189 -0.203 10.712 1.00 0.00 H new ATOM 0 HE ARG A 27 13.992 1.550 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.129 -1.887 9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.721 -2.418 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.969 0.835 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.308 -0.896 8.485 1.00 0.00 H new ATOM 421 N ARG A 28 7.225 -0.480 9.386 1.00 0.00 N ATOM 422 CA ARG A 28 6.399 -1.579 9.890 1.00 0.00 C ATOM 423 C ARG A 28 5.774 -2.295 8.718 1.00 0.00 C ATOM 424 O ARG A 28 5.970 -3.495 8.563 1.00 0.00 O ATOM 425 CB ARG A 28 5.299 -1.076 10.838 1.00 0.00 C ATOM 426 CG ARG A 28 4.326 -2.191 11.304 1.00 0.00 C ATOM 427 CD ARG A 28 4.293 -2.409 12.821 1.00 0.00 C ATOM 428 NE ARG A 28 4.098 -1.163 13.590 1.00 0.00 N ATOM 429 CZ ARG A 28 4.969 -0.632 14.459 1.00 0.00 C ATOM 430 NH1 ARG A 28 5.989 -1.339 14.926 1.00 0.00 N ATOM 431 NH2 ARG A 28 4.797 0.627 14.839 1.00 0.00 N ATOM 0 H ARG A 28 6.962 0.436 9.750 1.00 0.00 H new ATOM 0 HA ARG A 28 7.036 -2.258 10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.764 -0.622 11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.729 -0.293 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.321 -1.945 10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.607 -3.127 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.490 -3.106 13.063 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.226 -2.877 13.133 1.00 0.00 H new ATOM 0 HE ARG A 28 3.221 -0.662 13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.121 -2.304 14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.642 -0.917 15.587 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.015 1.169 14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.447 1.054 15.500 1.00 0.00 H new ATOM 445 N ALA A 29 4.994 -1.559 7.929 1.00 0.00 N ATOM 446 CA ALA A 29 4.290 -2.140 6.794 1.00 0.00 C ATOM 447 C ALA A 29 5.247 -2.904 5.877 1.00 0.00 C ATOM 448 O ALA A 29 4.863 -3.950 5.369 1.00 0.00 O ATOM 449 CB ALA A 29 3.520 -1.075 6.019 1.00 0.00 C ATOM 0 H ALA A 29 4.835 -0.560 8.057 1.00 0.00 H new ATOM 0 HA ALA A 29 3.567 -2.855 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.005 -1.539 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.790 -0.603 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.215 -0.321 5.648 1.00 0.00 H new ATOM 455 N GLN A 30 6.483 -2.431 5.702 1.00 0.00 N ATOM 456 CA GLN A 30 7.475 -3.090 4.883 1.00 0.00 C ATOM 457 C GLN A 30 7.826 -4.479 5.376 1.00 0.00 C ATOM 458 O GLN A 30 7.914 -5.382 4.548 1.00 0.00 O ATOM 459 CB GLN A 30 8.739 -2.214 4.773 1.00 0.00 C ATOM 460 CG GLN A 30 8.988 -1.818 3.317 1.00 0.00 C ATOM 461 CD GLN A 30 9.303 -0.334 3.172 1.00 0.00 C ATOM 462 OE1 GLN A 30 8.537 0.421 2.576 1.00 0.00 O ATOM 463 NE2 GLN A 30 10.405 0.130 3.735 1.00 0.00 N ATOM 0 H GLN A 30 6.816 -1.569 6.134 1.00 0.00 H new ATOM 0 HA GLN A 30 7.035 -3.219 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.624 -1.320 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.601 -2.757 5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.816 -2.404 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.109 -2.062 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.033 -0.506 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.627 1.124 3.678 1.00 0.00 H new ATOM 472 N GLU A 31 8.060 -4.667 6.674 1.00 0.00 N ATOM 473 CA GLU A 31 8.328 -6.011 7.175 1.00 0.00 C ATOM 474 C GLU A 31 7.039 -6.804 7.142 1.00 0.00 C ATOM 475 O GLU A 31 7.009 -7.854 6.518 1.00 0.00 O ATOM 476 CB GLU A 31 9.008 -6.034 8.551 1.00 0.00 C ATOM 477 CG GLU A 31 8.344 -5.190 9.646 1.00 0.00 C ATOM 478 CD GLU A 31 9.113 -5.270 10.956 1.00 0.00 C ATOM 479 OE1 GLU A 31 10.249 -4.744 11.009 1.00 0.00 O ATOM 480 OE2 GLU A 31 8.575 -5.820 11.947 1.00 0.00 O ATOM 0 H GLU A 31 8.070 -3.929 7.378 1.00 0.00 H new ATOM 0 HA GLU A 31 9.059 -6.483 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.053 -7.068 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.036 -5.693 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.285 -4.151 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.321 -5.534 9.802 1.00 0.00 H new ATOM 487 N ILE A 32 5.963 -6.257 7.704 1.00 0.00 N ATOM 488 CA ILE A 32 4.658 -6.895 7.791 1.00 0.00 C ATOM 489 C ILE A 32 4.274 -7.513 6.452 1.00 0.00 C ATOM 490 O ILE A 32 3.849 -8.671 6.406 1.00 0.00 O ATOM 491 CB ILE A 32 3.628 -5.852 8.278 1.00 0.00 C ATOM 492 CG1 ILE A 32 3.649 -5.788 9.822 1.00 0.00 C ATOM 493 CG2 ILE A 32 2.213 -6.086 7.734 1.00 0.00 C ATOM 494 CD1 ILE A 32 2.558 -4.897 10.431 1.00 0.00 C ATOM 0 H ILE A 32 5.980 -5.328 8.124 1.00 0.00 H new ATOM 0 HA ILE A 32 4.683 -7.713 8.511 1.00 0.00 H new ATOM 0 HB ILE A 32 3.926 -4.885 7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.540 -6.798 10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.623 -5.422 10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.544 -5.316 8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.230 -6.042 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.858 -7.066 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.644 -4.908 11.518 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.677 -3.876 10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.577 -5.273 10.141 1.00 0.00 H new ATOM 506 N LEU A 33 4.379 -6.723 5.378 1.00 0.00 N ATOM 507 CA LEU A 33 3.970 -7.196 4.077 1.00 0.00 C ATOM 508 C LEU A 33 5.076 -8.081 3.501 1.00 0.00 C ATOM 509 O LEU A 33 4.766 -9.162 3.003 1.00 0.00 O ATOM 510 CB LEU A 33 3.619 -6.063 3.089 1.00 0.00 C ATOM 511 CG LEU A 33 2.126 -5.667 3.054 1.00 0.00 C ATOM 512 CD1 LEU A 33 1.921 -4.509 2.083 1.00 0.00 C ATOM 513 CD2 LEU A 33 1.212 -6.820 2.603 1.00 0.00 C ATOM 0 H LEU A 33 4.740 -5.769 5.395 1.00 0.00 H new ATOM 0 HA LEU A 33 3.051 -7.766 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.207 -5.182 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.922 -6.368 2.087 1.00 0.00 H new ATOM 0 HG LEU A 33 1.858 -5.390 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.866 -4.234 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.513 -3.653 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.237 -4.811 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.176 -6.482 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.495 -7.137 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.317 -7.658 3.292 1.00 0.00 H new ATOM 525 N SER A 34 6.348 -7.643 3.523 1.00 0.00 N ATOM 526 CA SER A 34 7.421 -8.419 2.882 1.00 0.00 C ATOM 527 C SER A 34 7.770 -9.729 3.621 1.00 0.00 C ATOM 528 O SER A 34 8.563 -10.523 3.106 1.00 0.00 O ATOM 529 CB SER A 34 8.663 -7.544 2.682 1.00 0.00 C ATOM 530 OG SER A 34 9.517 -8.103 1.700 1.00 0.00 O ATOM 0 H SER A 34 6.652 -6.776 3.967 1.00 0.00 H new ATOM 0 HA SER A 34 7.040 -8.729 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.362 -6.541 2.381 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.201 -7.446 3.625 1.00 0.00 H new ATOM 0 HG SER A 34 9.538 -9.078 1.801 1.00 0.00 H new ATOM 536 N GLN A 35 7.198 -9.991 4.797 1.00 0.00 N ATOM 537 CA GLN A 35 7.343 -11.252 5.508 1.00 0.00 C ATOM 538 C GLN A 35 6.519 -12.358 4.828 1.00 0.00 C ATOM 539 O GLN A 35 6.806 -13.541 5.034 1.00 0.00 O ATOM 540 CB GLN A 35 6.891 -11.069 6.974 1.00 0.00 C ATOM 541 CG GLN A 35 7.998 -10.478 7.863 1.00 0.00 C ATOM 542 CD GLN A 35 7.487 -10.073 9.248 1.00 0.00 C ATOM 543 OE1 GLN A 35 6.753 -9.100 9.415 1.00 0.00 O ATOM 544 NE2 GLN A 35 7.876 -10.799 10.282 1.00 0.00 N ATOM 0 H GLN A 35 6.611 -9.317 5.287 1.00 0.00 H new ATOM 0 HA GLN A 35 8.391 -11.552 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.019 -10.416 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.581 -12.033 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.798 -11.209 7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.429 -9.607 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.485 -11.605 10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.568 -10.553 11.223 1.00 0.00 H new ATOM 553 N LEU A 36 5.502 -12.006 4.033 1.00 0.00 N ATOM 554 CA LEU A 36 4.538 -12.951 3.489 1.00 0.00 C ATOM 555 C LEU A 36 4.983 -13.408 2.089 1.00 0.00 C ATOM 556 O LEU A 36 5.487 -12.583 1.325 1.00 0.00 O ATOM 557 CB LEU A 36 3.159 -12.272 3.435 1.00 0.00 C ATOM 558 CG LEU A 36 2.629 -11.781 4.801 1.00 0.00 C ATOM 559 CD1 LEU A 36 1.296 -11.051 4.613 1.00 0.00 C ATOM 560 CD2 LEU A 36 2.447 -12.920 5.813 1.00 0.00 C ATOM 0 H LEU A 36 5.329 -11.042 3.749 1.00 0.00 H new ATOM 0 HA LEU A 36 4.477 -13.834 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.214 -11.422 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.440 -12.973 3.012 1.00 0.00 H new ATOM 0 HG LEU A 36 3.380 -11.103 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.929 -10.708 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.440 -10.194 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.568 -11.731 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.073 -12.515 6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.734 -13.645 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.405 -13.410 5.985 1.00 0.00 H new ATOM 572 N PRO A 37 4.793 -14.688 1.720 1.00 0.00 N ATOM 573 CA PRO A 37 5.197 -15.225 0.422 1.00 0.00 C ATOM 574 C PRO A 37 4.276 -14.691 -0.677 1.00 0.00 C ATOM 575 O PRO A 37 3.090 -15.026 -0.698 1.00 0.00 O ATOM 576 CB PRO A 37 5.108 -16.750 0.571 1.00 0.00 C ATOM 577 CG PRO A 37 4.031 -16.952 1.634 1.00 0.00 C ATOM 578 CD PRO A 37 4.225 -15.744 2.548 1.00 0.00 C ATOM 0 HA PRO A 37 6.205 -14.927 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.836 -17.228 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.061 -17.178 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.032 -16.973 1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.164 -17.891 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.276 -15.429 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.890 -15.987 3.377 1.00 0.00 H new ATOM 586 N ILE A 38 4.768 -13.812 -1.554 1.00 0.00 N ATOM 587 CA ILE A 38 3.944 -13.065 -2.504 1.00 0.00 C ATOM 588 C ILE A 38 4.645 -13.164 -3.856 1.00 0.00 C ATOM 589 O ILE A 38 5.875 -13.242 -3.896 1.00 0.00 O ATOM 590 CB ILE A 38 3.856 -11.611 -1.978 1.00 0.00 C ATOM 591 CG1 ILE A 38 2.736 -11.615 -0.924 1.00 0.00 C ATOM 592 CG2 ILE A 38 3.510 -10.546 -3.053 1.00 0.00 C ATOM 593 CD1 ILE A 38 2.825 -10.431 0.031 1.00 0.00 C ATOM 0 H ILE A 38 5.763 -13.597 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 38 2.929 -13.447 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 38 4.838 -11.331 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.769 -11.599 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.783 -12.542 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.471 -9.560 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.275 -10.552 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.541 -10.777 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.010 -10.484 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.779 -10.459 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.749 -9.502 -0.534 1.00 0.00 H new ATOM 605 N LYS A 39 3.891 -13.135 -4.964 1.00 0.00 N ATOM 606 CA LYS A 39 4.460 -13.147 -6.294 1.00 0.00 C ATOM 607 C LYS A 39 5.498 -12.042 -6.454 1.00 0.00 C ATOM 608 O LYS A 39 5.206 -10.869 -6.206 1.00 0.00 O ATOM 609 CB LYS A 39 3.380 -13.057 -7.369 1.00 0.00 C ATOM 610 CG LYS A 39 3.023 -14.437 -7.923 1.00 0.00 C ATOM 611 CD LYS A 39 4.044 -14.943 -8.942 1.00 0.00 C ATOM 612 CE LYS A 39 4.101 -14.100 -10.222 1.00 0.00 C ATOM 613 NZ LYS A 39 5.490 -13.838 -10.651 1.00 0.00 N ATOM 0 H LYS A 39 2.872 -13.103 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 39 4.967 -14.103 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.488 -12.590 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.726 -12.416 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.954 -15.148 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.039 -14.394 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.031 -14.955 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.803 -15.973 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.566 -14.616 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.588 -13.153 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.483 -13.266 -11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.994 -13.323 -9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.972 -14.741 -10.835 1.00 0.00 H new ATOM 627 N GLN A 40 6.685 -12.422 -6.910 1.00 0.00 N ATOM 628 CA GLN A 40 7.794 -11.509 -7.072 1.00 0.00 C ATOM 629 C GLN A 40 7.414 -10.406 -8.051 1.00 0.00 C ATOM 630 O GLN A 40 6.924 -10.686 -9.153 1.00 0.00 O ATOM 631 CB GLN A 40 9.015 -12.292 -7.557 1.00 0.00 C ATOM 632 CG GLN A 40 10.241 -11.382 -7.614 1.00 0.00 C ATOM 633 CD GLN A 40 11.471 -12.192 -7.964 1.00 0.00 C ATOM 634 OE1 GLN A 40 11.683 -12.547 -9.117 1.00 0.00 O ATOM 635 NE2 GLN A 40 12.291 -12.531 -6.991 1.00 0.00 N ATOM 0 H GLN A 40 6.900 -13.382 -7.178 1.00 0.00 H new ATOM 0 HA GLN A 40 8.039 -11.038 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.207 -13.131 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.818 -12.711 -8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.088 -10.598 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.382 -10.888 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.102 -12.228 -6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.116 -13.097 -7.193 1.00 0.00 H new ATOM 644 N GLY A 41 7.671 -9.164 -7.649 1.00 0.00 N ATOM 645 CA GLY A 41 7.395 -7.963 -8.412 1.00 0.00 C ATOM 646 C GLY A 41 6.065 -7.330 -8.013 1.00 0.00 C ATOM 647 O GLY A 41 5.881 -6.132 -8.242 1.00 0.00 O ATOM 0 H GLY A 41 8.095 -8.965 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.200 -7.243 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.378 -8.204 -9.475 1.00 0.00 H new ATOM 651 N LEU A 42 5.152 -8.082 -7.377 1.00 0.00 N ATOM 652 CA LEU A 42 3.861 -7.530 -7.030 1.00 0.00 C ATOM 653 C LEU A 42 3.985 -6.574 -5.863 1.00 0.00 C ATOM 654 O LEU A 42 3.213 -5.629 -5.828 1.00 0.00 O ATOM 655 CB LEU A 42 2.843 -8.593 -6.632 1.00 0.00 C ATOM 656 CG LEU A 42 2.432 -9.635 -7.677 1.00 0.00 C ATOM 657 CD1 LEU A 42 1.066 -10.184 -7.272 1.00 0.00 C ATOM 658 CD2 LEU A 42 2.342 -9.136 -9.115 1.00 0.00 C ATOM 0 H LEU A 42 5.293 -9.054 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 42 3.513 -7.022 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.241 -9.127 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.940 -8.080 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 42 3.224 -10.384 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.744 -10.931 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.136 -10.643 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.341 -9.371 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.044 -9.957 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.604 -8.336 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.314 -8.757 -9.430 1.00 0.00 H new ATOM 670 N LEU A 43 4.878 -6.804 -4.896 1.00 0.00 N ATOM 671 CA LEU A 43 4.925 -5.927 -3.734 1.00 0.00 C ATOM 672 C LEU A 43 5.771 -4.743 -4.167 1.00 0.00 C ATOM 673 O LEU A 43 6.960 -4.927 -4.440 1.00 0.00 O ATOM 674 CB LEU A 43 5.504 -6.609 -2.483 1.00 0.00 C ATOM 675 CG LEU A 43 4.859 -6.157 -1.146 1.00 0.00 C ATOM 676 CD1 LEU A 43 4.421 -4.686 -1.056 1.00 0.00 C ATOM 677 CD2 LEU A 43 3.663 -7.056 -0.818 1.00 0.00 C ATOM 0 H LEU A 43 5.556 -7.566 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 43 3.920 -5.631 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.383 -7.688 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.575 -6.411 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 43 5.664 -6.254 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.986 -4.495 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.286 -4.039 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.680 -4.479 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.213 -6.735 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.925 -6.985 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.999 -8.089 -0.725 1.00 0.00 H new ATOM 689 N GLU A 44 5.159 -3.570 -4.308 1.00 0.00 N ATOM 690 CA GLU A 44 5.845 -2.374 -4.738 1.00 0.00 C ATOM 691 C GLU A 44 5.533 -1.253 -3.758 1.00 0.00 C ATOM 692 O GLU A 44 4.413 -0.742 -3.720 1.00 0.00 O ATOM 693 CB GLU A 44 5.459 -2.061 -6.180 1.00 0.00 C ATOM 694 CG GLU A 44 6.397 -0.967 -6.678 1.00 0.00 C ATOM 695 CD GLU A 44 6.161 -0.692 -8.154 1.00 0.00 C ATOM 696 OE1 GLU A 44 6.821 -1.362 -8.983 1.00 0.00 O ATOM 697 OE2 GLU A 44 5.325 0.165 -8.512 1.00 0.00 O ATOM 0 H GLU A 44 4.166 -3.431 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 44 6.927 -2.506 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.545 -2.952 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.422 -1.732 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.239 -0.055 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.433 -1.268 -6.520 1.00 0.00 H new ATOM 704 N PHE A 45 6.530 -0.872 -2.963 1.00 0.00 N ATOM 705 CA PHE A 45 6.432 0.261 -2.066 1.00 0.00 C ATOM 706 C PHE A 45 6.764 1.500 -2.910 1.00 0.00 C ATOM 707 O PHE A 45 7.913 1.721 -3.306 1.00 0.00 O ATOM 708 CB PHE A 45 7.340 0.040 -0.846 1.00 0.00 C ATOM 709 CG PHE A 45 7.067 -1.257 -0.094 1.00 0.00 C ATOM 710 CD1 PHE A 45 5.982 -1.340 0.799 1.00 0.00 C ATOM 711 CD2 PHE A 45 7.885 -2.388 -0.286 1.00 0.00 C ATOM 712 CE1 PHE A 45 5.711 -2.536 1.488 1.00 0.00 C ATOM 713 CE2 PHE A 45 7.618 -3.583 0.407 1.00 0.00 C ATOM 714 CZ PHE A 45 6.530 -3.662 1.293 1.00 0.00 C ATOM 0 H PHE A 45 7.431 -1.348 -2.928 1.00 0.00 H new ATOM 0 HA PHE A 45 5.438 0.396 -1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.379 0.045 -1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.218 0.878 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.352 -0.477 0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.721 -2.337 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.873 -2.589 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.252 -4.444 0.257 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.324 -4.582 1.821 1.00 0.00 H new ATOM 724 N VAL A 46 5.734 2.244 -3.299 1.00 0.00 N ATOM 725 CA VAL A 46 5.796 3.456 -4.099 1.00 0.00 C ATOM 726 C VAL A 46 5.962 4.618 -3.132 1.00 0.00 C ATOM 727 O VAL A 46 5.297 4.667 -2.101 1.00 0.00 O ATOM 728 CB VAL A 46 4.493 3.604 -4.906 1.00 0.00 C ATOM 729 CG1 VAL A 46 4.532 4.857 -5.789 1.00 0.00 C ATOM 730 CG2 VAL A 46 4.254 2.388 -5.805 1.00 0.00 C ATOM 0 H VAL A 46 4.776 1.999 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 46 6.627 3.428 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 46 3.682 3.687 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.600 4.937 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.657 5.740 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.368 4.786 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.326 2.523 -6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.084 2.283 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.181 1.490 -5.191 1.00 0.00 H new ATOM 740 N ASP A 47 6.827 5.570 -3.449 1.00 0.00 N ATOM 741 CA ASP A 47 7.155 6.649 -2.531 1.00 0.00 C ATOM 742 C ASP A 47 6.264 7.867 -2.783 1.00 0.00 C ATOM 743 O ASP A 47 5.873 8.116 -3.930 1.00 0.00 O ATOM 744 CB ASP A 47 8.629 6.979 -2.708 1.00 0.00 C ATOM 745 CG ASP A 47 9.202 7.609 -1.454 1.00 0.00 C ATOM 746 OD1 ASP A 47 8.901 8.791 -1.204 1.00 0.00 O ATOM 747 OD2 ASP A 47 9.979 6.916 -0.759 1.00 0.00 O ATOM 0 H ASP A 47 7.317 5.616 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 47 6.973 6.343 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.182 6.071 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.754 7.660 -3.550 1.00 0.00 H new ATOM 752 N ILE A 48 5.971 8.651 -1.744 1.00 0.00 N ATOM 753 CA ILE A 48 5.170 9.873 -1.786 1.00 0.00 C ATOM 754 C ILE A 48 6.004 11.125 -1.489 1.00 0.00 C ATOM 755 O ILE A 48 5.406 12.183 -1.316 1.00 0.00 O ATOM 756 CB ILE A 48 3.915 9.789 -0.880 1.00 0.00 C ATOM 757 CG1 ILE A 48 4.208 9.857 0.636 1.00 0.00 C ATOM 758 CG2 ILE A 48 3.063 8.551 -1.208 1.00 0.00 C ATOM 759 CD1 ILE A 48 3.005 10.365 1.424 1.00 0.00 C ATOM 0 H ILE A 48 6.303 8.439 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 48 4.811 9.967 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 48 3.347 10.690 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.487 8.867 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.061 10.513 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.192 8.525 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.735 8.600 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.657 7.650 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.253 10.398 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.742 11.366 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.159 9.695 1.269 1.00 0.00 H new ATOM 771 N THR A 49 7.332 11.056 -1.431 1.00 0.00 N ATOM 772 CA THR A 49 8.188 12.234 -1.331 1.00 0.00 C ATOM 773 C THR A 49 9.373 12.168 -2.314 1.00 0.00 C ATOM 774 O THR A 49 9.908 13.213 -2.688 1.00 0.00 O ATOM 775 CB THR A 49 8.558 12.449 0.153 1.00 0.00 C ATOM 776 OG1 THR A 49 9.355 13.598 0.322 1.00 0.00 O ATOM 777 CG2 THR A 49 9.278 11.266 0.810 1.00 0.00 C ATOM 0 H THR A 49 7.847 10.176 -1.452 1.00 0.00 H new ATOM 0 HA THR A 49 7.656 13.130 -1.652 1.00 0.00 H new ATOM 0 HB THR A 49 7.596 12.564 0.651 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.572 13.709 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.498 11.506 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.640 10.383 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.209 11.066 0.279 1.00 0.00 H new ATOM 785 N ALA A 50 9.761 10.989 -2.819 1.00 0.00 N ATOM 786 CA ALA A 50 10.922 10.848 -3.699 1.00 0.00 C ATOM 787 C ALA A 50 10.829 11.672 -4.993 1.00 0.00 C ATOM 788 O ALA A 50 11.854 12.163 -5.467 1.00 0.00 O ATOM 789 CB ALA A 50 11.139 9.372 -4.051 1.00 0.00 C ATOM 0 H ALA A 50 9.279 10.111 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 50 11.770 11.242 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.005 9.278 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.311 8.802 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.256 8.986 -4.559 1.00 0.00 H new ATOM 795 N THR A 51 9.639 11.816 -5.587 1.00 0.00 N ATOM 796 CA THR A 51 9.496 12.222 -6.993 1.00 0.00 C ATOM 797 C THR A 51 8.211 13.024 -7.274 1.00 0.00 C ATOM 798 O THR A 51 7.715 13.047 -8.403 1.00 0.00 O ATOM 799 CB THR A 51 9.639 10.974 -7.906 1.00 0.00 C ATOM 800 OG1 THR A 51 9.454 9.733 -7.230 1.00 0.00 O ATOM 801 CG2 THR A 51 11.044 10.927 -8.510 1.00 0.00 C ATOM 0 H THR A 51 8.751 11.656 -5.111 1.00 0.00 H new ATOM 0 HA THR A 51 10.301 12.920 -7.225 1.00 0.00 H new ATOM 0 HB THR A 51 8.856 11.084 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.557 8.995 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.136 10.049 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.216 11.826 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.782 10.873 -7.710 1.00 0.00 H new ATOM 809 N ASN A 52 7.611 13.622 -6.242 1.00 0.00 N ATOM 810 CA ASN A 52 6.226 14.082 -6.290 1.00 0.00 C ATOM 811 C ASN A 52 5.996 15.193 -5.259 1.00 0.00 C ATOM 812 O ASN A 52 6.890 15.997 -5.001 1.00 0.00 O ATOM 813 CB ASN A 52 5.287 12.869 -6.112 1.00 0.00 C ATOM 814 CG ASN A 52 5.390 12.299 -4.706 1.00 0.00 C ATOM 815 OD1 ASN A 52 6.424 11.755 -4.334 1.00 0.00 O ATOM 816 ND2 ASN A 52 4.371 12.442 -3.878 1.00 0.00 N ATOM 0 H ASN A 52 8.074 13.800 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 52 6.001 14.526 -7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.258 13.169 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.541 12.098 -6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.440 12.099 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.515 12.896 -4.196 1.00 0.00 H new ATOM 823 N HIS A 53 4.784 15.277 -4.719 1.00 0.00 N ATOM 824 CA HIS A 53 4.298 16.185 -3.711 1.00 0.00 C ATOM 825 C HIS A 53 3.477 15.277 -2.797 1.00 0.00 C ATOM 826 O HIS A 53 2.360 14.912 -3.174 1.00 0.00 O ATOM 827 CB HIS A 53 3.366 17.228 -4.349 1.00 0.00 C ATOM 828 CG HIS A 53 4.027 18.291 -5.172 1.00 0.00 C ATOM 829 ND1 HIS A 53 3.481 18.842 -6.306 1.00 0.00 N ATOM 830 CD2 HIS A 53 5.255 18.858 -4.971 1.00 0.00 C ATOM 831 CE1 HIS A 53 4.376 19.700 -6.817 1.00 0.00 C ATOM 832 NE2 HIS A 53 5.469 19.753 -6.029 1.00 0.00 N ATOM 0 H HIS A 53 4.047 14.637 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 53 5.095 16.725 -3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.647 16.705 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.800 17.713 -3.554 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.559 18.635 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.931 18.655 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.241 20.266 -7.727 1.00 0.00 H new ATOM 840 N THR A 54 4.015 14.860 -1.651 1.00 0.00 N ATOM 841 CA THR A 54 3.243 14.227 -0.568 1.00 0.00 C ATOM 842 C THR A 54 1.944 14.993 -0.415 1.00 0.00 C ATOM 843 O THR A 54 0.878 14.439 -0.632 1.00 0.00 O ATOM 844 CB THR A 54 4.015 14.010 0.761 1.00 0.00 C ATOM 845 OG1 THR A 54 3.324 14.453 1.917 1.00 0.00 O ATOM 846 CG2 THR A 54 5.383 14.654 0.848 1.00 0.00 C ATOM 0 H THR A 54 5.009 14.951 -1.441 1.00 0.00 H new ATOM 0 HA THR A 54 3.030 13.197 -0.855 1.00 0.00 H new ATOM 0 HB THR A 54 4.116 12.925 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.835 13.702 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.827 14.435 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.022 14.258 0.059 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.285 15.733 0.728 1.00 0.00 H new ATOM 854 N ASN A 55 2.065 16.264 -0.043 1.00 0.00 N ATOM 855 CA ASN A 55 1.004 17.198 0.314 1.00 0.00 C ATOM 856 C ASN A 55 -0.203 17.151 -0.629 1.00 0.00 C ATOM 857 O ASN A 55 -1.325 17.387 -0.195 1.00 0.00 O ATOM 858 CB ASN A 55 1.603 18.618 0.272 1.00 0.00 C ATOM 859 CG ASN A 55 1.120 19.558 1.368 1.00 0.00 C ATOM 860 OD1 ASN A 55 0.245 19.257 2.176 1.00 0.00 O ATOM 861 ND2 ASN A 55 1.739 20.721 1.439 1.00 0.00 N ATOM 0 H ASN A 55 2.984 16.702 0.021 1.00 0.00 H new ATOM 0 HA ASN A 55 0.638 16.920 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.688 18.539 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.372 19.064 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.493 21.386 2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.463 20.955 0.760 1.00 0.00 H new ATOM 868 N GLU A 56 0.019 16.878 -1.916 1.00 0.00 N ATOM 869 CA GLU A 56 -1.037 16.785 -2.911 1.00 0.00 C ATOM 870 C GLU A 56 -1.576 15.353 -2.888 1.00 0.00 C ATOM 871 O GLU A 56 -2.751 15.130 -2.610 1.00 0.00 O ATOM 872 CB GLU A 56 -0.424 17.036 -4.288 1.00 0.00 C ATOM 873 CG GLU A 56 -0.519 18.497 -4.693 1.00 0.00 C ATOM 874 CD GLU A 56 -0.331 18.650 -6.192 1.00 0.00 C ATOM 875 OE1 GLU A 56 0.750 18.341 -6.725 1.00 0.00 O ATOM 876 OE2 GLU A 56 -1.318 19.041 -6.861 1.00 0.00 O ATOM 0 H GLU A 56 0.951 16.714 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.828 17.507 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.622 16.728 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.933 16.420 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.489 18.899 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.239 19.076 -4.165 1.00 0.00 H new ATOM 883 N ILE A 57 -0.704 14.378 -3.175 1.00 0.00 N ATOM 884 CA ILE A 57 -1.043 12.964 -3.306 1.00 0.00 C ATOM 885 C ILE A 57 -1.755 12.450 -2.058 1.00 0.00 C ATOM 886 O ILE A 57 -2.606 11.573 -2.160 1.00 0.00 O ATOM 887 CB ILE A 57 0.251 12.177 -3.638 1.00 0.00 C ATOM 888 CG1 ILE A 57 0.382 12.077 -5.171 1.00 0.00 C ATOM 889 CG2 ILE A 57 0.345 10.775 -3.011 1.00 0.00 C ATOM 890 CD1 ILE A 57 1.833 12.117 -5.629 1.00 0.00 C ATOM 0 H ILE A 57 0.288 14.563 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.750 12.818 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 57 1.074 12.737 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.080 11.151 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.166 12.897 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.286 10.308 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.303 10.859 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.487 10.164 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.874 12.043 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.289 13.055 -5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.377 11.281 -5.188 1.00 0.00 H new ATOM 902 N GLN A 58 -1.406 12.960 -0.881 1.00 0.00 N ATOM 903 CA GLN A 58 -1.880 12.447 0.384 1.00 0.00 C ATOM 904 C GLN A 58 -3.342 12.898 0.484 1.00 0.00 C ATOM 905 O GLN A 58 -4.213 12.134 0.883 1.00 0.00 O ATOM 906 CB GLN A 58 -1.030 13.067 1.509 1.00 0.00 C ATOM 907 CG GLN A 58 0.165 12.156 1.824 1.00 0.00 C ATOM 908 CD GLN A 58 0.705 12.254 3.241 1.00 0.00 C ATOM 909 OE1 GLN A 58 1.785 12.799 3.452 1.00 0.00 O ATOM 910 NE2 GLN A 58 0.012 11.698 4.218 1.00 0.00 N ATOM 0 H GLN A 58 -0.774 13.755 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.804 11.363 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.677 14.053 1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.639 13.205 2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.128 11.123 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.972 12.390 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.883 11.251 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.372 11.716 5.172 1.00 0.00 H new ATOM 919 N ASP A 59 -3.624 14.134 0.071 1.00 0.00 N ATOM 920 CA ASP A 59 -4.947 14.738 0.015 1.00 0.00 C ATOM 921 C ASP A 59 -5.820 14.017 -1.005 1.00 0.00 C ATOM 922 O ASP A 59 -6.990 13.726 -0.757 1.00 0.00 O ATOM 923 CB ASP A 59 -4.789 16.200 -0.412 1.00 0.00 C ATOM 924 CG ASP A 59 -5.860 17.120 0.159 1.00 0.00 C ATOM 925 OD1 ASP A 59 -6.306 16.921 1.314 1.00 0.00 O ATOM 926 OD2 ASP A 59 -6.241 18.062 -0.569 1.00 0.00 O ATOM 0 H ASP A 59 -2.894 14.771 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.420 14.666 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.809 16.558 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.815 16.257 -1.500 1.00 0.00 H new ATOM 931 N TYR A 60 -5.255 13.734 -2.177 1.00 0.00 N ATOM 932 CA TYR A 60 -5.919 12.908 -3.186 1.00 0.00 C ATOM 933 C TYR A 60 -6.246 11.524 -2.615 1.00 0.00 C ATOM 934 O TYR A 60 -7.385 11.075 -2.727 1.00 0.00 O ATOM 935 CB TYR A 60 -5.090 12.797 -4.471 1.00 0.00 C ATOM 936 CG TYR A 60 -5.690 11.829 -5.480 1.00 0.00 C ATOM 937 CD1 TYR A 60 -6.999 12.028 -5.965 1.00 0.00 C ATOM 938 CD2 TYR A 60 -4.964 10.692 -5.884 1.00 0.00 C ATOM 939 CE1 TYR A 60 -7.582 11.102 -6.850 1.00 0.00 C ATOM 940 CE2 TYR A 60 -5.532 9.775 -6.786 1.00 0.00 C ATOM 941 CZ TYR A 60 -6.846 9.970 -7.267 1.00 0.00 C ATOM 942 OH TYR A 60 -7.391 9.055 -8.116 1.00 0.00 O ATOM 0 H TYR A 60 -4.331 14.067 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.854 13.400 -3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.003 13.783 -4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.080 12.472 -4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.559 12.898 -5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.969 10.524 -5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.589 11.256 -7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.961 8.918 -7.112 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.038 9.499 -8.704 1.00 0.00 H new ATOM 952 N LEU A 61 -5.287 10.859 -1.961 1.00 0.00 N ATOM 953 CA LEU A 61 -5.492 9.580 -1.286 1.00 0.00 C ATOM 954 C LEU A 61 -6.608 9.701 -0.249 1.00 0.00 C ATOM 955 O LEU A 61 -7.397 8.763 -0.124 1.00 0.00 O ATOM 956 CB LEU A 61 -4.192 9.073 -0.627 1.00 0.00 C ATOM 957 CG LEU A 61 -3.186 8.431 -1.601 1.00 0.00 C ATOM 958 CD1 LEU A 61 -1.783 8.354 -0.982 1.00 0.00 C ATOM 959 CD2 LEU A 61 -3.636 7.017 -1.983 1.00 0.00 C ATOM 0 H LEU A 61 -4.330 11.204 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.787 8.848 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.706 9.908 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.450 8.344 0.141 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.149 9.060 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.096 7.896 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.437 9.359 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.819 7.752 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.914 6.579 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.702 6.401 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.613 7.064 -2.464 1.00 0.00 H new ATOM 971 N GLN A 62 -6.721 10.842 0.441 1.00 0.00 N ATOM 972 CA GLN A 62 -7.809 11.116 1.368 1.00 0.00 C ATOM 973 C GLN A 62 -9.153 10.944 0.675 1.00 0.00 C ATOM 974 O GLN A 62 -10.015 10.242 1.198 1.00 0.00 O ATOM 975 CB GLN A 62 -7.717 12.526 1.975 1.00 0.00 C ATOM 976 CG GLN A 62 -8.201 12.522 3.429 1.00 0.00 C ATOM 977 CD GLN A 62 -8.733 13.889 3.839 1.00 0.00 C ATOM 978 OE1 GLN A 62 -7.983 14.840 4.062 1.00 0.00 O ATOM 979 NE2 GLN A 62 -10.044 14.002 3.949 1.00 0.00 N ATOM 0 H GLN A 62 -6.049 11.605 0.366 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.721 10.397 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.687 12.880 1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.319 13.220 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.983 11.773 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.380 12.237 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.643 13.199 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.458 14.893 4.224 1.00 0.00 H new ATOM 988 N GLN A 63 -9.322 11.573 -0.487 1.00 0.00 N ATOM 989 CA GLN A 63 -10.556 11.513 -1.248 1.00 0.00 C ATOM 990 C GLN A 63 -10.764 10.104 -1.812 1.00 0.00 C ATOM 991 O GLN A 63 -11.871 9.565 -1.760 1.00 0.00 O ATOM 992 CB GLN A 63 -10.538 12.589 -2.354 1.00 0.00 C ATOM 993 CG GLN A 63 -11.890 13.316 -2.428 1.00 0.00 C ATOM 994 CD GLN A 63 -11.983 14.268 -3.615 1.00 0.00 C ATOM 995 OE1 GLN A 63 -11.065 15.028 -3.903 1.00 0.00 O ATOM 996 NE2 GLN A 63 -13.109 14.307 -4.305 1.00 0.00 N ATOM 0 H GLN A 63 -8.597 12.141 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.403 11.724 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.743 13.308 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.316 12.126 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.691 12.579 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.048 13.875 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.875 13.676 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.213 14.968 -5.075 1.00 0.00 H new ATOM 1005 N LEU A 64 -9.717 9.504 -2.384 1.00 0.00 N ATOM 1006 CA LEU A 64 -9.845 8.294 -3.191 1.00 0.00 C ATOM 1007 C LEU A 64 -10.064 7.083 -2.259 1.00 0.00 C ATOM 1008 O LEU A 64 -10.742 6.130 -2.664 1.00 0.00 O ATOM 1009 CB LEU A 64 -8.599 8.159 -4.100 1.00 0.00 C ATOM 1010 CG LEU A 64 -8.266 6.744 -4.615 1.00 0.00 C ATOM 1011 CD1 LEU A 64 -9.235 6.390 -5.745 1.00 0.00 C ATOM 1012 CD2 LEU A 64 -6.835 6.669 -5.161 1.00 0.00 C ATOM 0 H LEU A 64 -8.759 9.845 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.713 8.344 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.735 8.811 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.735 8.533 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.358 6.046 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.010 5.391 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.258 6.415 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.129 7.112 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.633 5.658 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.723 7.372 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.130 6.923 -4.370 1.00 0.00 H new ATOM 1024 N THR A 65 -9.516 7.102 -1.032 1.00 0.00 N ATOM 1025 CA THR A 65 -9.480 5.950 -0.122 1.00 0.00 C ATOM 1026 C THR A 65 -10.116 6.206 1.254 1.00 0.00 C ATOM 1027 O THR A 65 -10.322 5.244 1.996 1.00 0.00 O ATOM 1028 CB THR A 65 -8.039 5.415 0.026 1.00 0.00 C ATOM 1029 OG1 THR A 65 -7.209 6.272 0.784 1.00 0.00 O ATOM 1030 CG2 THR A 65 -7.327 5.153 -1.301 1.00 0.00 C ATOM 0 H THR A 65 -9.078 7.936 -0.640 1.00 0.00 H new ATOM 0 HA THR A 65 -10.104 5.188 -0.590 1.00 0.00 H new ATOM 0 HB THR A 65 -8.184 4.467 0.545 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.401 7.204 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.322 4.780 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.885 4.412 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.266 6.080 -1.870 1.00 0.00 H new ATOM 1038 N GLY A 66 -10.411 7.451 1.639 1.00 0.00 N ATOM 1039 CA GLY A 66 -11.056 7.791 2.907 1.00 0.00 C ATOM 1040 C GLY A 66 -10.066 8.227 3.988 1.00 0.00 C ATOM 1041 O GLY A 66 -10.479 8.559 5.107 1.00 0.00 O ATOM 0 H GLY A 66 -10.203 8.267 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.776 8.592 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.618 6.928 3.264 1.00 0.00 H new ATOM 1045 N ALA A 67 -8.762 8.222 3.694 1.00 0.00 N ATOM 1046 CA ALA A 67 -7.720 8.630 4.620 1.00 0.00 C ATOM 1047 C ALA A 67 -6.452 8.989 3.851 1.00 0.00 C ATOM 1048 O ALA A 67 -6.188 8.431 2.786 1.00 0.00 O ATOM 1049 CB ALA A 67 -7.453 7.475 5.583 1.00 0.00 C ATOM 0 H ALA A 67 -8.402 7.927 2.786 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.036 9.510 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.672 7.762 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.366 7.238 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.130 6.599 5.020 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.669 9.923 4.392 1.00 0.00 N ATOM 1056 CA ARG A 68 -4.443 10.427 3.761 1.00 0.00 C ATOM 1057 C ARG A 68 -3.190 9.850 4.380 1.00 0.00 C ATOM 1058 O ARG A 68 -2.129 9.870 3.757 1.00 0.00 O ATOM 1059 CB ARG A 68 -4.376 11.957 3.865 1.00 0.00 C ATOM 1060 CG ARG A 68 -4.296 12.549 5.280 1.00 0.00 C ATOM 1061 CD ARG A 68 -4.834 13.980 5.215 1.00 0.00 C ATOM 1062 NE ARG A 68 -4.958 14.603 6.536 1.00 0.00 N ATOM 1063 CZ ARG A 68 -5.587 15.758 6.777 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -6.281 16.373 5.824 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -5.501 16.281 7.991 1.00 0.00 N ATOM 0 H ARG A 68 -5.869 10.358 5.293 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.486 10.114 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.506 12.299 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.256 12.370 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.882 11.951 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.267 12.543 5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.172 14.584 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.809 13.974 4.728 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.534 14.121 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.340 15.964 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.755 17.254 6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.964 15.803 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.971 17.161 8.202 1.00 0.00 H new ATOM 1079 N THR A 69 -3.282 9.437 5.635 1.00 0.00 N ATOM 1080 CA THR A 69 -2.138 9.030 6.414 1.00 0.00 C ATOM 1081 C THR A 69 -1.633 7.692 5.883 1.00 0.00 C ATOM 1082 O THR A 69 -2.405 6.851 5.407 1.00 0.00 O ATOM 1083 CB THR A 69 -2.536 9.049 7.899 1.00 0.00 C ATOM 1084 OG1 THR A 69 -3.880 8.625 8.082 1.00 0.00 O ATOM 1085 CG2 THR A 69 -2.435 10.492 8.403 1.00 0.00 C ATOM 0 H THR A 69 -4.166 9.377 6.141 1.00 0.00 H new ATOM 0 HA THR A 69 -1.293 9.713 6.323 1.00 0.00 H new ATOM 0 HB THR A 69 -1.873 8.375 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.103 8.646 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.713 10.530 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.411 10.848 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.108 11.127 7.827 1.00 0.00 H new ATOM 1093 N VAL A 70 -0.318 7.535 5.913 1.00 0.00 N ATOM 1094 CA VAL A 70 0.434 6.462 5.293 1.00 0.00 C ATOM 1095 C VAL A 70 1.046 5.573 6.390 1.00 0.00 C ATOM 1096 O VAL A 70 1.043 5.975 7.567 1.00 0.00 O ATOM 1097 CB VAL A 70 1.465 7.070 4.305 1.00 0.00 C ATOM 1098 CG1 VAL A 70 0.895 7.008 2.885 1.00 0.00 C ATOM 1099 CG2 VAL A 70 1.813 8.548 4.567 1.00 0.00 C ATOM 0 H VAL A 70 0.286 8.196 6.402 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.206 5.809 4.699 1.00 0.00 H new ATOM 0 HB VAL A 70 2.372 6.480 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.614 7.434 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.699 5.970 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.034 7.576 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.540 8.887 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.910 9.153 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.236 8.651 5.566 1.00 0.00 H new ATOM 1109 N PRO A 71 1.544 4.363 6.058 1.00 0.00 N ATOM 1110 CA PRO A 71 1.528 3.704 4.744 1.00 0.00 C ATOM 1111 C PRO A 71 0.099 3.436 4.271 1.00 0.00 C ATOM 1112 O PRO A 71 -0.829 3.454 5.076 1.00 0.00 O ATOM 1113 CB PRO A 71 2.273 2.378 4.936 1.00 0.00 C ATOM 1114 CG PRO A 71 2.051 2.076 6.414 1.00 0.00 C ATOM 1115 CD PRO A 71 2.055 3.453 7.056 1.00 0.00 C ATOM 0 HA PRO A 71 1.995 4.335 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.870 1.592 4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.332 2.471 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.107 1.557 6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.840 1.441 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.433 3.467 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.062 3.737 7.363 1.00 0.00 H new ATOM 1123 N ARG A 72 -0.087 3.192 2.973 1.00 0.00 N ATOM 1124 CA ARG A 72 -1.408 3.058 2.365 1.00 0.00 C ATOM 1125 C ARG A 72 -1.359 1.891 1.394 1.00 0.00 C ATOM 1126 O ARG A 72 -0.819 2.031 0.295 1.00 0.00 O ATOM 1127 CB ARG A 72 -1.778 4.405 1.725 1.00 0.00 C ATOM 1128 CG ARG A 72 -3.247 4.502 1.293 1.00 0.00 C ATOM 1129 CD ARG A 72 -3.812 5.889 1.637 1.00 0.00 C ATOM 1130 NE ARG A 72 -3.979 6.033 3.090 1.00 0.00 N ATOM 1131 CZ ARG A 72 -4.984 5.520 3.802 1.00 0.00 C ATOM 1132 NH1 ARG A 72 -6.106 5.112 3.214 1.00 0.00 N ATOM 1133 NH2 ARG A 72 -4.830 5.411 5.112 1.00 0.00 N ATOM 0 H ARG A 72 0.681 3.081 2.311 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.193 2.832 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.564 5.205 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.142 4.571 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.331 4.323 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.832 3.729 1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.142 6.663 1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.771 6.031 1.139 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.271 6.567 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.209 5.189 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.863 4.722 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.961 5.715 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.581 5.023 5.683 1.00 0.00 H new ATOM 1147 N VAL A 73 -1.805 0.719 1.842 1.00 0.00 N ATOM 1148 CA VAL A 73 -1.669 -0.527 1.099 1.00 0.00 C ATOM 1149 C VAL A 73 -2.836 -0.651 0.120 1.00 0.00 C ATOM 1150 O VAL A 73 -3.994 -0.609 0.530 1.00 0.00 O ATOM 1151 CB VAL A 73 -1.600 -1.708 2.088 1.00 0.00 C ATOM 1152 CG1 VAL A 73 -1.752 -3.056 1.374 1.00 0.00 C ATOM 1153 CG2 VAL A 73 -0.276 -1.730 2.862 1.00 0.00 C ATOM 0 H VAL A 73 -2.275 0.609 2.740 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.746 -0.536 0.519 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.428 -1.561 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.698 -3.863 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.715 -3.091 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.951 -3.173 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.269 -2.578 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.554 -1.823 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.170 -0.805 3.428 1.00 0.00 H new ATOM 1163 N PHE A 74 -2.515 -0.886 -1.152 1.00 0.00 N ATOM 1164 CA PHE A 74 -3.410 -1.196 -2.255 1.00 0.00 C ATOM 1165 C PHE A 74 -3.113 -2.630 -2.714 1.00 0.00 C ATOM 1166 O PHE A 74 -2.223 -2.877 -3.531 1.00 0.00 O ATOM 1167 CB PHE A 74 -3.239 -0.181 -3.401 1.00 0.00 C ATOM 1168 CG PHE A 74 -4.282 0.912 -3.468 1.00 0.00 C ATOM 1169 CD1 PHE A 74 -5.532 0.628 -4.043 1.00 0.00 C ATOM 1170 CD2 PHE A 74 -3.992 2.220 -3.042 1.00 0.00 C ATOM 1171 CE1 PHE A 74 -6.479 1.648 -4.227 1.00 0.00 C ATOM 1172 CE2 PHE A 74 -4.936 3.247 -3.234 1.00 0.00 C ATOM 1173 CZ PHE A 74 -6.177 2.964 -3.834 1.00 0.00 C ATOM 0 H PHE A 74 -1.542 -0.861 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.449 -1.126 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.257 0.284 -3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.246 -0.723 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.766 -0.382 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.046 2.437 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.438 1.422 -4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.707 4.255 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.895 3.755 -3.992 1.00 0.00 H new ATOM 1183 N ILE A 75 -3.883 -3.596 -2.219 1.00 0.00 N ATOM 1184 CA ILE A 75 -3.841 -4.963 -2.711 1.00 0.00 C ATOM 1185 C ILE A 75 -4.757 -4.956 -3.940 1.00 0.00 C ATOM 1186 O ILE A 75 -5.969 -4.816 -3.809 1.00 0.00 O ATOM 1187 CB ILE A 75 -4.220 -5.953 -1.573 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -2.979 -6.632 -0.961 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -5.122 -7.116 -2.032 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -2.122 -5.818 -0.012 1.00 0.00 C ATOM 0 H ILE A 75 -4.553 -3.449 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.855 -5.313 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.745 -5.321 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.313 -7.523 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.344 -6.969 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.342 -7.763 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.053 -6.717 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.609 -7.692 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.288 -6.426 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.738 -4.939 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.723 -5.502 0.841 1.00 0.00 H new ATOM 1202 N GLY A 76 -4.171 -5.044 -5.139 1.00 0.00 N ATOM 1203 CA GLY A 76 -4.825 -5.112 -6.445 1.00 0.00 C ATOM 1204 C GLY A 76 -6.055 -4.221 -6.545 1.00 0.00 C ATOM 1205 O GLY A 76 -7.184 -4.699 -6.430 1.00 0.00 O ATOM 0 H GLY A 76 -3.155 -5.071 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.112 -4.824 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.114 -6.144 -6.647 1.00 0.00 H new ATOM 1209 N LYS A 77 -5.833 -2.930 -6.802 1.00 0.00 N ATOM 1210 CA LYS A 77 -6.817 -1.852 -6.840 1.00 0.00 C ATOM 1211 C LYS A 77 -7.822 -1.786 -5.684 1.00 0.00 C ATOM 1212 O LYS A 77 -8.774 -1.011 -5.778 1.00 0.00 O ATOM 1213 CB LYS A 77 -7.478 -1.851 -8.231 1.00 0.00 C ATOM 1214 CG LYS A 77 -6.891 -0.738 -9.099 1.00 0.00 C ATOM 1215 CD LYS A 77 -7.375 0.666 -8.691 1.00 0.00 C ATOM 1216 CE LYS A 77 -8.865 0.908 -8.982 1.00 0.00 C ATOM 1217 NZ LYS A 77 -9.080 1.418 -10.349 1.00 0.00 N ATOM 0 H LYS A 77 -4.893 -2.589 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.269 -0.925 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.325 -2.816 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.554 -1.712 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.803 -0.773 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.157 -0.919 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.193 0.810 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.783 1.414 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.417 -0.023 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.265 1.621 -8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.097 1.569 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.574 2.319 -10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.721 0.727 -11.038 1.00 0.00 H new ATOM 1231 N ASP A 78 -7.565 -2.461 -4.565 1.00 0.00 N ATOM 1232 CA ASP A 78 -8.334 -2.305 -3.334 1.00 0.00 C ATOM 1233 C ASP A 78 -7.416 -1.763 -2.246 1.00 0.00 C ATOM 1234 O ASP A 78 -6.461 -2.431 -1.847 1.00 0.00 O ATOM 1235 CB ASP A 78 -9.015 -3.613 -2.919 1.00 0.00 C ATOM 1236 CG ASP A 78 -10.318 -3.265 -2.212 1.00 0.00 C ATOM 1237 OD1 ASP A 78 -10.307 -2.992 -0.999 1.00 0.00 O ATOM 1238 OD2 ASP A 78 -11.351 -3.183 -2.923 1.00 0.00 O ATOM 0 H ASP A 78 -6.807 -3.140 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.141 -1.592 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.210 -4.234 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.365 -4.187 -2.259 1.00 0.00 H new ATOM 1243 N CYS A 79 -7.633 -0.514 -1.834 1.00 0.00 N ATOM 1244 CA CYS A 79 -6.967 0.058 -0.678 1.00 0.00 C ATOM 1245 C CYS A 79 -7.510 -0.638 0.560 1.00 0.00 C ATOM 1246 O CYS A 79 -8.699 -0.496 0.848 1.00 0.00 O ATOM 1247 CB CYS A 79 -7.178 1.576 -0.619 1.00 0.00 C ATOM 1248 SG CYS A 79 -6.030 2.312 0.577 1.00 0.00 S ATOM 0 H CYS A 79 -8.278 0.126 -2.298 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.890 -0.098 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.019 2.013 -1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.206 1.798 -0.334 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.072 1.472 0.832 1.00 0.00 H new ATOM 1254 N ILE A 80 -6.663 -1.348 1.304 1.00 0.00 N ATOM 1255 CA ILE A 80 -7.108 -2.100 2.462 1.00 0.00 C ATOM 1256 C ILE A 80 -7.188 -1.172 3.674 1.00 0.00 C ATOM 1257 O ILE A 80 -7.923 -1.458 4.620 1.00 0.00 O ATOM 1258 CB ILE A 80 -6.203 -3.334 2.670 1.00 0.00 C ATOM 1259 CG1 ILE A 80 -4.831 -3.029 3.295 1.00 0.00 C ATOM 1260 CG2 ILE A 80 -6.025 -4.121 1.356 1.00 0.00 C ATOM 1261 CD1 ILE A 80 -4.868 -3.052 4.827 1.00 0.00 C ATOM 0 H ILE A 80 -5.662 -1.414 1.119 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.114 -2.491 2.307 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.733 -3.946 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.103 -3.759 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.491 -2.050 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.383 -4.984 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.998 -4.459 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.568 -3.477 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.875 -2.831 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.574 -2.303 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.181 -4.039 5.169 1.00 0.00 H new ATOM 1273 N GLY A 81 -6.463 -0.054 3.634 1.00 0.00 N ATOM 1274 CA GLY A 81 -6.347 0.891 4.719 1.00 0.00 C ATOM 1275 C GLY A 81 -4.879 1.209 4.967 1.00 0.00 C ATOM 1276 O GLY A 81 -4.034 1.101 4.067 1.00 0.00 O ATOM 0 H GLY A 81 -5.925 0.218 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.891 1.804 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.798 0.480 5.622 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.605 1.633 6.195 1.00 0.00 N ATOM 1281 CA GLY A 82 -3.294 1.986 6.701 1.00 0.00 C ATOM 1282 C GLY A 82 -2.705 0.827 7.492 1.00 0.00 C ATOM 1283 O GLY A 82 -3.216 -0.294 7.436 1.00 0.00 O ATOM 0 H GLY A 82 -5.335 1.744 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.634 2.243 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.367 2.869 7.336 1.00 0.00 H new ATOM 1287 N CYS A 83 -1.609 1.061 8.217 1.00 0.00 N ATOM 1288 CA CYS A 83 -0.948 -0.009 8.945 1.00 0.00 C ATOM 1289 C CYS A 83 -1.788 -0.512 10.116 1.00 0.00 C ATOM 1290 O CYS A 83 -1.606 -1.664 10.491 1.00 0.00 O ATOM 1291 CB CYS A 83 0.467 0.361 9.399 1.00 0.00 C ATOM 1292 SG CYS A 83 0.537 1.999 10.158 1.00 0.00 S ATOM 0 H CYS A 83 -1.168 1.976 8.312 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.845 -0.829 8.234 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.824 -0.383 10.112 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.141 0.331 8.543 1.00 0.00 H new ATOM 0 HG CYS A 83 1.580 2.075 10.930 1.00 0.00 H new ATOM 1298 N SER A 84 -2.701 0.285 10.681 1.00 0.00 N ATOM 1299 CA SER A 84 -3.577 -0.209 11.733 1.00 0.00 C ATOM 1300 C SER A 84 -4.418 -1.368 11.196 1.00 0.00 C ATOM 1301 O SER A 84 -4.478 -2.434 11.810 1.00 0.00 O ATOM 1302 CB SER A 84 -4.503 0.907 12.228 1.00 0.00 C ATOM 1303 OG SER A 84 -3.807 2.058 12.662 1.00 0.00 O ATOM 0 H SER A 84 -2.847 1.262 10.427 1.00 0.00 H new ATOM 0 HA SER A 84 -2.964 -0.553 12.566 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.187 1.185 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.112 0.528 13.049 1.00 0.00 H new ATOM 0 HG SER A 84 -4.449 2.734 12.964 1.00 0.00 H new ATOM 1309 N ASP A 85 -5.038 -1.162 10.034 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.848 -2.168 9.361 1.00 0.00 C ATOM 1311 C ASP A 85 -4.955 -3.306 8.883 1.00 0.00 C ATOM 1312 O ASP A 85 -5.291 -4.472 9.066 1.00 0.00 O ATOM 1313 CB ASP A 85 -6.635 -1.515 8.215 1.00 0.00 C ATOM 1314 CG ASP A 85 -8.006 -1.067 8.719 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -8.943 -1.894 8.746 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -8.135 0.109 9.138 1.00 0.00 O ATOM 0 H ASP A 85 -4.989 -0.277 9.529 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.576 -2.594 10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.084 -0.660 7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.752 -2.221 7.393 1.00 0.00 H new ATOM 1321 N LEU A 86 -3.776 -2.986 8.346 1.00 0.00 N ATOM 1322 CA LEU A 86 -2.807 -3.975 7.893 1.00 0.00 C ATOM 1323 C LEU A 86 -2.417 -4.947 9.007 1.00 0.00 C ATOM 1324 O LEU A 86 -2.266 -6.135 8.734 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.562 -3.255 7.366 1.00 0.00 C ATOM 1326 CG LEU A 86 -0.627 -4.124 6.517 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.287 -4.532 5.197 1.00 0.00 C ATOM 1328 CD2 LEU A 86 0.648 -3.306 6.262 1.00 0.00 C ATOM 0 H LEU A 86 -3.468 -2.023 8.214 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.267 -4.562 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.879 -2.399 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.000 -2.863 8.214 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.393 -5.049 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.597 -5.147 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.194 -5.101 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.541 -3.639 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.342 -3.892 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.392 -2.389 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.117 -3.056 7.214 1.00 0.00 H new ATOM 1340 N VAL A 87 -2.257 -4.471 10.248 1.00 0.00 N ATOM 1341 CA VAL A 87 -1.986 -5.300 11.392 1.00 0.00 C ATOM 1342 C VAL A 87 -3.158 -6.263 11.600 1.00 0.00 C ATOM 1343 O VAL A 87 -2.875 -7.445 11.773 1.00 0.00 O ATOM 1344 CB VAL A 87 -1.680 -4.393 12.601 1.00 0.00 C ATOM 1345 CG1 VAL A 87 -1.744 -5.175 13.908 1.00 0.00 C ATOM 1346 CG2 VAL A 87 -0.282 -3.764 12.492 1.00 0.00 C ATOM 0 H VAL A 87 -2.317 -3.478 10.472 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.105 -5.925 11.247 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.438 -3.610 12.598 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.524 -4.509 14.742 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.742 -5.594 14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.012 -5.982 13.885 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.099 -3.131 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.470 -4.552 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.224 -3.162 11.585 1.00 0.00 H new ATOM 1356 N SER A 88 -4.430 -5.820 11.549 1.00 0.00 N ATOM 1357 CA SER A 88 -5.570 -6.721 11.764 1.00 0.00 C ATOM 1358 C SER A 88 -5.441 -7.795 10.706 1.00 0.00 C ATOM 1359 O SER A 88 -5.438 -8.977 11.021 1.00 0.00 O ATOM 1360 CB SER A 88 -6.949 -6.114 11.462 1.00 0.00 C ATOM 1361 OG SER A 88 -7.739 -5.950 12.620 1.00 0.00 O ATOM 0 H SER A 88 -4.688 -4.851 11.362 1.00 0.00 H new ATOM 0 HA SER A 88 -5.534 -7.021 12.811 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.817 -5.147 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.476 -6.755 10.755 1.00 0.00 H new ATOM 0 HG SER A 88 -8.604 -5.560 12.374 1.00 0.00 H new ATOM 1367 N LEU A 89 -5.394 -7.376 9.438 1.00 0.00 N ATOM 1368 CA LEU A 89 -5.508 -8.302 8.345 1.00 0.00 C ATOM 1369 C LEU A 89 -4.312 -9.257 8.344 1.00 0.00 C ATOM 1370 O LEU A 89 -4.479 -10.387 7.901 1.00 0.00 O ATOM 1371 CB LEU A 89 -5.736 -7.552 7.020 1.00 0.00 C ATOM 1372 CG LEU A 89 -7.191 -7.079 6.800 1.00 0.00 C ATOM 1373 CD1 LEU A 89 -7.539 -5.740 7.449 1.00 0.00 C ATOM 1374 CD2 LEU A 89 -7.486 -6.978 5.297 1.00 0.00 C ATOM 0 H LEU A 89 -5.278 -6.402 9.160 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.390 -8.930 8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.076 -6.685 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.449 -8.202 6.194 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.809 -7.833 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.580 -5.493 7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.393 -5.809 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.893 -4.961 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.513 -6.644 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.803 -6.263 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.352 -7.955 4.833 1.00 0.00 H new ATOM 1386 N GLN A 90 -3.139 -8.879 8.863 1.00 0.00 N ATOM 1387 CA GLN A 90 -2.056 -9.829 9.079 1.00 0.00 C ATOM 1388 C GLN A 90 -2.452 -10.813 10.195 1.00 0.00 C ATOM 1389 O GLN A 90 -2.386 -12.018 9.974 1.00 0.00 O ATOM 1390 CB GLN A 90 -0.734 -9.097 9.376 1.00 0.00 C ATOM 1391 CG GLN A 90 0.454 -10.074 9.452 1.00 0.00 C ATOM 1392 CD GLN A 90 1.738 -9.405 9.940 1.00 0.00 C ATOM 1393 OE1 GLN A 90 1.780 -8.855 11.036 1.00 0.00 O ATOM 1394 NE2 GLN A 90 2.820 -9.443 9.178 1.00 0.00 N ATOM 0 H GLN A 90 -2.921 -7.922 9.139 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.888 -10.406 8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.546 -8.356 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.821 -8.556 10.318 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.201 -10.896 10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.627 -10.507 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.786 -9.900 8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.687 -9.015 9.502 1.00 0.00 H new ATOM 1403 N GLN A 91 -2.844 -10.332 11.382 1.00 0.00 N ATOM 1404 CA GLN A 91 -3.034 -11.138 12.583 1.00 0.00 C ATOM 1405 C GLN A 91 -4.249 -12.069 12.458 1.00 0.00 C ATOM 1406 O GLN A 91 -4.185 -13.205 12.919 1.00 0.00 O ATOM 1407 CB GLN A 91 -3.241 -10.164 13.757 1.00 0.00 C ATOM 1408 CG GLN A 91 -2.239 -10.356 14.891 1.00 0.00 C ATOM 1409 CD GLN A 91 -2.600 -11.420 15.932 1.00 0.00 C ATOM 1410 OE1 GLN A 91 -2.383 -11.211 17.117 1.00 0.00 O ATOM 1411 NE2 GLN A 91 -3.111 -12.583 15.553 1.00 0.00 N ATOM 0 H GLN A 91 -3.042 -9.343 11.532 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.162 -11.773 12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.168 -9.141 13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.250 -10.290 14.149 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.273 -10.614 14.456 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.113 -9.402 15.404 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.294 -12.762 14.566 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.321 -13.299 16.249 1.00 0.00 H new ATOM 1420 N SER A 92 -5.342 -11.568 11.882 1.00 0.00 N ATOM 1421 CA SER A 92 -6.569 -12.263 11.499 1.00 0.00 C ATOM 1422 C SER A 92 -6.306 -13.184 10.298 1.00 0.00 C ATOM 1423 O SER A 92 -7.062 -14.116 10.031 1.00 0.00 O ATOM 1424 CB SER A 92 -7.593 -11.168 11.128 1.00 0.00 C ATOM 1425 OG SER A 92 -8.916 -11.627 10.975 1.00 0.00 O ATOM 0 H SER A 92 -5.395 -10.576 11.651 1.00 0.00 H new ATOM 0 HA SER A 92 -6.941 -12.888 12.311 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.577 -10.398 11.899 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.277 -10.694 10.198 1.00 0.00 H new ATOM 0 HG SER A 92 -9.313 -11.221 10.176 1.00 0.00 H new ATOM 1431 N GLY A 93 -5.231 -12.921 9.551 1.00 0.00 N ATOM 1432 CA GLY A 93 -4.919 -13.602 8.315 1.00 0.00 C ATOM 1433 C GLY A 93 -5.787 -13.135 7.149 1.00 0.00 C ATOM 1434 O GLY A 93 -5.671 -13.717 6.067 1.00 0.00 O ATOM 0 H GLY A 93 -4.544 -12.210 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.870 -13.438 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.050 -14.675 8.453 1.00 0.00 H new ATOM 1438 N GLU A 94 -6.629 -12.093 7.303 1.00 0.00 N ATOM 1439 CA GLU A 94 -7.549 -11.695 6.247 1.00 0.00 C ATOM 1440 C GLU A 94 -6.751 -11.255 5.010 1.00 0.00 C ATOM 1441 O GLU A 94 -7.171 -11.477 3.872 1.00 0.00 O ATOM 1442 CB GLU A 94 -8.379 -10.530 6.799 1.00 0.00 C ATOM 1443 CG GLU A 94 -9.799 -10.906 7.221 1.00 0.00 C ATOM 1444 CD GLU A 94 -10.338 -9.813 8.147 1.00 0.00 C ATOM 1445 OE1 GLU A 94 -10.029 -9.852 9.361 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -11.003 -8.877 7.642 1.00 0.00 O ATOM 0 H GLU A 94 -6.682 -11.523 8.147 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.198 -12.518 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.859 -10.105 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.434 -9.749 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.439 -11.009 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.800 -11.869 7.732 1.00 0.00 H new ATOM 1453 N LEU A 95 -5.565 -10.680 5.243 1.00 0.00 N ATOM 1454 CA LEU A 95 -4.648 -10.167 4.239 1.00 0.00 C ATOM 1455 C LEU A 95 -4.287 -11.258 3.242 1.00 0.00 C ATOM 1456 O LEU A 95 -4.223 -10.978 2.052 1.00 0.00 O ATOM 1457 CB LEU A 95 -3.384 -9.617 4.931 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.602 -8.527 4.184 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -3.441 -7.275 3.869 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -1.402 -8.125 5.053 1.00 0.00 C ATOM 0 H LEU A 95 -5.208 -10.557 6.190 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.131 -9.358 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.675 -9.220 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.709 -10.452 5.117 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.293 -8.940 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.825 -6.547 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.290 -7.553 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.804 -6.837 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.828 -7.350 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.757 -7.744 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.767 -8.995 5.222 1.00 0.00 H new ATOM 1472 N LEU A 96 -4.058 -12.493 3.700 1.00 0.00 N ATOM 1473 CA LEU A 96 -3.617 -13.581 2.833 1.00 0.00 C ATOM 1474 C LEU A 96 -4.695 -13.866 1.792 1.00 0.00 C ATOM 1475 O LEU A 96 -4.389 -13.933 0.599 1.00 0.00 O ATOM 1476 CB LEU A 96 -3.290 -14.856 3.638 1.00 0.00 C ATOM 1477 CG LEU A 96 -1.980 -14.867 4.456 1.00 0.00 C ATOM 1478 CD1 LEU A 96 -0.738 -14.590 3.599 1.00 0.00 C ATOM 1479 CD2 LEU A 96 -1.996 -13.906 5.650 1.00 0.00 C ATOM 0 H LEU A 96 -4.173 -12.762 4.677 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.699 -13.273 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.116 -15.042 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.259 -15.694 2.942 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.919 -15.884 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.151 -14.611 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.652 -15.353 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.829 -13.609 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.045 -13.966 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.150 -12.887 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.805 -14.180 6.327 1.00 0.00 H new ATOM 1491 N THR A 97 -5.950 -13.985 2.223 1.00 0.00 N ATOM 1492 CA THR A 97 -7.085 -14.178 1.333 1.00 0.00 C ATOM 1493 C THR A 97 -7.195 -12.979 0.382 1.00 0.00 C ATOM 1494 O THR A 97 -7.245 -13.171 -0.838 1.00 0.00 O ATOM 1495 CB THR A 97 -8.339 -14.381 2.205 1.00 0.00 C ATOM 1496 OG1 THR A 97 -8.070 -15.385 3.166 1.00 0.00 O ATOM 1497 CG2 THR A 97 -9.564 -14.807 1.393 1.00 0.00 C ATOM 0 H THR A 97 -6.206 -13.949 3.210 1.00 0.00 H new ATOM 0 HA THR A 97 -6.966 -15.060 0.704 1.00 0.00 H new ATOM 0 HB THR A 97 -8.567 -13.423 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.862 -15.521 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.416 -14.935 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.794 -14.041 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.355 -15.749 0.887 1.00 0.00 H new ATOM 1505 N ARG A 98 -7.158 -11.753 0.921 1.00 0.00 N ATOM 1506 CA ARG A 98 -7.224 -10.506 0.156 1.00 0.00 C ATOM 1507 C ARG A 98 -6.195 -10.511 -0.975 1.00 0.00 C ATOM 1508 O ARG A 98 -6.538 -10.203 -2.119 1.00 0.00 O ATOM 1509 CB ARG A 98 -7.049 -9.306 1.122 1.00 0.00 C ATOM 1510 CG ARG A 98 -8.279 -8.387 1.166 1.00 0.00 C ATOM 1511 CD ARG A 98 -8.260 -7.360 0.025 1.00 0.00 C ATOM 1512 NE ARG A 98 -9.566 -7.239 -0.644 1.00 0.00 N ATOM 1513 CZ ARG A 98 -10.597 -6.466 -0.276 1.00 0.00 C ATOM 1514 NH1 ARG A 98 -10.570 -5.757 0.836 1.00 0.00 N ATOM 1515 NH2 ARG A 98 -11.678 -6.384 -1.039 1.00 0.00 N ATOM 0 H ARG A 98 -7.079 -11.600 1.926 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.200 -10.411 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.846 -9.681 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.179 -8.725 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.186 -8.989 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.311 -7.867 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.966 -6.388 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.505 -7.648 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.701 -7.807 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.749 -5.788 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.370 -5.177 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.728 -6.911 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.460 -5.794 -0.754 1.00 0.00 H new ATOM 1529 N LEU A 99 -4.941 -10.857 -0.675 1.00 0.00 N ATOM 1530 CA LEU A 99 -3.872 -10.970 -1.643 1.00 0.00 C ATOM 1531 C LEU A 99 -4.106 -12.077 -2.645 1.00 0.00 C ATOM 1532 O LEU A 99 -3.872 -11.843 -3.828 1.00 0.00 O ATOM 1533 CB LEU A 99 -2.532 -11.224 -0.928 1.00 0.00 C ATOM 1534 CG LEU A 99 -1.772 -9.926 -0.639 1.00 0.00 C ATOM 1535 CD1 LEU A 99 -1.950 -9.447 0.793 1.00 0.00 C ATOM 1536 CD2 LEU A 99 -0.283 -10.117 -0.846 1.00 0.00 C ATOM 0 H LEU A 99 -4.643 -11.070 0.277 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.845 -10.025 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.717 -11.751 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.912 -11.876 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.185 -9.190 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.389 -8.524 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.007 -9.264 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.581 -10.209 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.237 -9.182 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.081 -10.894 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.094 -10.412 -1.878 1.00 0.00 H new ATOM 1548 N LYS A 100 -4.446 -13.301 -2.235 1.00 0.00 N ATOM 1549 CA LYS A 100 -4.357 -14.384 -3.220 1.00 0.00 C ATOM 1550 C LYS A 100 -5.374 -14.245 -4.337 1.00 0.00 C ATOM 1551 O LYS A 100 -5.093 -14.685 -5.452 1.00 0.00 O ATOM 1552 CB LYS A 100 -4.434 -15.785 -2.620 1.00 0.00 C ATOM 1553 CG LYS A 100 -3.330 -16.624 -3.316 1.00 0.00 C ATOM 1554 CD LYS A 100 -3.635 -18.117 -3.486 1.00 0.00 C ATOM 1555 CE LYS A 100 -2.517 -18.887 -4.225 1.00 0.00 C ATOM 1556 NZ LYS A 100 -2.163 -18.317 -5.547 1.00 0.00 N ATOM 0 H LYS A 100 -4.763 -13.559 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.358 -14.271 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.276 -15.754 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.418 -16.224 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.142 -16.196 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.408 -16.524 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.787 -18.564 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.569 -18.230 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.626 -18.903 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.831 -19.922 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.082 -19.084 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.904 -17.652 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.255 -17.815 -5.477 1.00 0.00 H new ATOM 1570 N GLN A 101 -6.480 -13.562 -4.071 1.00 0.00 N ATOM 1571 CA GLN A 101 -7.418 -13.138 -5.108 1.00 0.00 C ATOM 1572 C GLN A 101 -6.669 -12.473 -6.268 1.00 0.00 C ATOM 1573 O GLN A 101 -6.914 -12.824 -7.424 1.00 0.00 O ATOM 1574 CB GLN A 101 -8.498 -12.206 -4.538 1.00 0.00 C ATOM 1575 CG GLN A 101 -9.513 -11.790 -5.622 1.00 0.00 C ATOM 1576 CD GLN A 101 -10.593 -10.869 -5.070 1.00 0.00 C ATOM 1577 OE1 GLN A 101 -11.228 -11.168 -4.061 1.00 0.00 O ATOM 1578 NE2 GLN A 101 -10.845 -9.738 -5.704 1.00 0.00 N ATOM 0 H GLN A 101 -6.754 -13.285 -3.129 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.923 -14.025 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -9.020 -12.707 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.028 -11.317 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.989 -11.288 -6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.978 -12.681 -6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.316 -9.494 -6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.569 -9.109 -5.357 1.00 0.00 H new ATOM 1587 N ILE A 102 -5.730 -11.561 -5.993 1.00 0.00 N ATOM 1588 CA ILE A 102 -5.011 -10.821 -7.033 1.00 0.00 C ATOM 1589 C ILE A 102 -3.874 -11.656 -7.658 1.00 0.00 C ATOM 1590 O ILE A 102 -3.066 -11.133 -8.424 1.00 0.00 O ATOM 1591 CB ILE A 102 -4.571 -9.425 -6.516 1.00 0.00 C ATOM 1592 CG1 ILE A 102 -3.301 -9.424 -5.650 1.00 0.00 C ATOM 1593 CG2 ILE A 102 -5.676 -8.766 -5.680 1.00 0.00 C ATOM 1594 CD1 ILE A 102 -2.185 -8.590 -6.267 1.00 0.00 C ATOM 0 H ILE A 102 -5.448 -11.316 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.697 -10.631 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.362 -8.871 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.539 -9.035 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.955 -10.449 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.337 -7.790 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.570 -8.643 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.907 -9.396 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.308 -8.619 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.927 -8.995 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.520 -7.559 -6.378 1.00 0.00 H new ATOM 1606 N GLY A 103 -3.780 -12.949 -7.326 1.00 0.00 N ATOM 1607 CA GLY A 103 -2.791 -13.871 -7.865 1.00 0.00 C ATOM 1608 C GLY A 103 -1.423 -13.662 -7.232 1.00 0.00 C ATOM 1609 O GLY A 103 -0.414 -13.774 -7.923 1.00 0.00 O ATOM 0 H GLY A 103 -4.411 -13.389 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.118 -14.897 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.717 -13.736 -8.944 1.00 0.00 H new ATOM 1613 N ALA A 104 -1.370 -13.297 -5.949 1.00 0.00 N ATOM 1614 CA ALA A 104 -0.133 -12.997 -5.257 1.00 0.00 C ATOM 1615 C ALA A 104 0.504 -14.267 -4.743 1.00 0.00 C ATOM 1616 O ALA A 104 1.530 -14.644 -5.282 1.00 0.00 O ATOM 1617 CB ALA A 104 -0.448 -12.052 -4.103 1.00 0.00 C ATOM 0 H ALA A 104 -2.199 -13.203 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 104 0.572 -12.525 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.471 -11.813 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.890 -11.135 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.151 -12.531 -3.422 1.00 0.00 H new ATOM 1623 N LEU A 105 -0.012 -14.883 -3.677 1.00 0.00 N ATOM 1624 CA LEU A 105 0.817 -15.797 -2.919 1.00 0.00 C ATOM 1625 C LEU A 105 1.244 -16.977 -3.785 1.00 0.00 C ATOM 1626 O LEU A 105 0.421 -17.553 -4.505 1.00 0.00 O ATOM 1627 CB LEU A 105 0.136 -16.292 -1.647 1.00 0.00 C ATOM 1628 CG LEU A 105 -0.795 -15.335 -0.872 1.00 0.00 C ATOM 1629 CD1 LEU A 105 -1.552 -16.131 0.193 1.00 0.00 C ATOM 1630 CD2 LEU A 105 -0.032 -14.177 -0.224 1.00 0.00 C ATOM 0 H LEU A 105 -0.966 -14.767 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 105 1.701 -15.238 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.446 -17.176 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.918 -16.617 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.493 -14.893 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.212 -15.463 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.144 -16.910 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.840 -16.588 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.732 -13.533 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.703 -14.573 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.477 -13.600 -0.996 1.00 0.00 H new ATOM 1642 N GLN A 106 2.527 -17.286 -3.704 1.00 0.00 N ATOM 1643 CA GLN A 106 3.319 -18.250 -4.429 1.00 0.00 C ATOM 1644 C GLN A 106 4.568 -18.449 -3.578 1.00 0.00 C ATOM 1645 O GLN A 106 5.035 -17.447 -2.989 1.00 0.00 O ATOM 1646 CB GLN A 106 3.706 -17.681 -5.806 1.00 0.00 C ATOM 1647 CG GLN A 106 4.458 -18.736 -6.623 1.00 0.00 C ATOM 1648 CD GLN A 106 4.964 -18.219 -7.968 1.00 0.00 C ATOM 1649 OE1 GLN A 106 5.847 -17.367 -8.033 1.00 0.00 O ATOM 1650 NE2 GLN A 106 4.455 -18.735 -9.073 1.00 0.00 N ATOM 1651 OXT GLN A 106 5.103 -19.574 -3.584 1.00 0.00 O ATOM 0 H GLN A 106 3.113 -16.792 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 106 2.782 -19.183 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.811 -17.366 -6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.330 -16.796 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.305 -19.099 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.800 -19.588 -6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.722 -19.442 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.795 -18.426 -9.984 1.00 0.00 H new TER 1660 GLN A 106