USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 59 SER OG : rot -109:sc= 0.852 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.122 K(o=0.97,f=-4.7) USER MOD Set 2.1: A 52 HIS : no HD1:sc= -1.46 K(o=-2.9,f=-5.2!) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.41 K(o=-2.9,f=-5) USER MOD Set 3.1: A 26 THR OG1 : rot 29:sc= 0.815 USER MOD Set 3.2: A 39 ASN : amide:sc= -4.42! C(o=-3.7!,f=-5.1!) USER MOD Set 3.3: A 75 TYR OH : rot 103:sc= -0.0785 USER MOD Set 4.1: A 23 THR OG1 : rot -38:sc= 2.16 USER MOD Set 4.2: A 72 CYS SG : rot 180:sc= -0.721 USER MOD Set 4.3: A 74 HIS : no HE2:sc= -0.0552 K(o=1.4,f=-5.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.025 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.383) USER MOD Single : A 18 THR OG1 : rot -8:sc= -0.0155 USER MOD Single : A 24 ASN : amide:sc= -0.0662 K(o=-0.066,f=-0.84) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 165:sc= -0.123 USER MOD Single : A 34 ASN : amide:sc= 0.605 K(o=0.6,f=-0.94) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= -0.889 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= 0.888 (180deg=0.151) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -45:sc= 0.0152 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.13) USER MOD Single : A 71 THR OG1 : rot 116:sc= 1.13 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 43:sc= 0.0556 USER MOD Single : A 87 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 89 HIS : no HE2:sc= -4.96! C(o=-5!,f=-6.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.107 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.57 K(o=0.57,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.392 -7.368 12.589 1.00 0.00 N ATOM 2 CA MET A 1 -10.546 -7.324 11.117 1.00 0.00 C ATOM 3 C MET A 1 -9.311 -6.745 10.454 1.00 0.00 C ATOM 4 O MET A 1 -8.643 -5.880 11.014 1.00 0.00 O ATOM 5 CB MET A 1 -11.763 -6.484 10.714 1.00 0.00 C ATOM 6 CG MET A 1 -13.095 -7.199 10.858 1.00 0.00 C ATOM 7 SD MET A 1 -14.484 -6.182 10.322 1.00 0.00 S ATOM 8 CE MET A 1 -15.854 -7.304 10.598 1.00 0.00 C ATOM 0 H1 MET A 1 -10.249 -8.352 12.894 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.570 -6.796 12.869 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.249 -6.987 13.039 1.00 0.00 H new ATOM 0 HA MET A 1 -10.688 -8.351 10.781 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.782 -5.580 11.322 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.644 -6.168 9.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.075 -8.119 10.274 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.239 -7.486 11.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.786 -6.817 10.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.715 -8.203 9.997 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.895 -7.576 11.653 1.00 0.00 H new ATOM 20 N TYR A 2 -9.008 -7.251 9.272 1.00 0.00 N ATOM 21 CA TYR A 2 -7.995 -6.667 8.414 1.00 0.00 C ATOM 22 C TYR A 2 -8.529 -6.592 6.995 1.00 0.00 C ATOM 23 O TYR A 2 -9.690 -6.914 6.747 1.00 0.00 O ATOM 24 CB TYR A 2 -6.703 -7.489 8.432 1.00 0.00 C ATOM 25 CG TYR A 2 -5.988 -7.473 9.760 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.376 -8.321 10.786 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.929 -6.608 9.987 1.00 0.00 C ATOM 28 CE1 TYR A 2 -5.728 -8.310 12.004 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.272 -6.587 11.201 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.671 -7.438 12.208 1.00 0.00 C ATOM 31 OH TYR A 2 -4.005 -7.421 13.416 1.00 0.00 O ATOM 0 H TYR A 2 -9.458 -8.079 8.881 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.763 -5.669 8.786 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.936 -8.521 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -6.030 -7.108 7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.200 -9.002 10.629 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.612 -5.939 9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.043 -8.977 12.793 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.449 -5.906 11.360 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.291 -6.751 13.386 1.00 0.00 H new ATOM 41 N LEU A 3 -7.689 -6.182 6.064 1.00 0.00 N ATOM 42 CA LEU A 3 -8.081 -6.140 4.669 1.00 0.00 C ATOM 43 C LEU A 3 -7.471 -7.309 3.910 1.00 0.00 C ATOM 44 O LEU A 3 -6.925 -8.233 4.507 1.00 0.00 O ATOM 45 CB LEU A 3 -7.668 -4.809 4.039 1.00 0.00 C ATOM 46 CG LEU A 3 -8.357 -3.582 4.636 1.00 0.00 C ATOM 47 CD1 LEU A 3 -7.905 -2.315 3.929 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.869 -3.733 4.552 1.00 0.00 C ATOM 0 H LEU A 3 -6.734 -5.874 6.248 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.166 -6.224 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.590 -4.691 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.882 -4.846 2.971 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.074 -3.503 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.407 -1.454 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.827 -2.202 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.156 -2.380 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.347 -2.852 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.167 -3.836 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.178 -4.619 5.107 1.00 0.00 H new ATOM 60 N ARG A 4 -7.612 -7.289 2.599 1.00 0.00 N ATOM 61 CA ARG A 4 -7.033 -8.318 1.746 1.00 0.00 C ATOM 62 C ARG A 4 -6.113 -7.657 0.731 1.00 0.00 C ATOM 63 O ARG A 4 -6.295 -6.482 0.420 1.00 0.00 O ATOM 64 CB ARG A 4 -8.130 -9.124 1.024 1.00 0.00 C ATOM 65 CG ARG A 4 -8.821 -10.178 1.887 1.00 0.00 C ATOM 66 CD ARG A 4 -9.631 -9.558 3.014 1.00 0.00 C ATOM 67 NE ARG A 4 -10.264 -10.566 3.853 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.064 -10.676 5.167 1.00 0.00 C ATOM 69 NH1 ARG A 4 -9.188 -9.890 5.782 1.00 0.00 N ATOM 70 NH2 ARG A 4 -10.733 -11.578 5.870 1.00 0.00 N ATOM 0 H ARG A 4 -8.126 -6.567 2.095 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.465 -9.013 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.883 -8.431 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.689 -9.616 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.477 -10.784 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.072 -10.849 2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.980 -8.934 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.396 -8.905 2.593 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.899 -11.229 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.663 -9.197 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.040 -9.980 6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.404 -12.191 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.577 -11.659 6.875 1.00 0.00 H new ATOM 84 N PRO A 5 -5.110 -8.385 0.210 1.00 0.00 N ATOM 85 CA PRO A 5 -4.186 -7.853 -0.796 1.00 0.00 C ATOM 86 C PRO A 5 -4.935 -7.224 -1.972 1.00 0.00 C ATOM 87 O PRO A 5 -4.683 -6.076 -2.344 1.00 0.00 O ATOM 88 CB PRO A 5 -3.382 -9.085 -1.253 1.00 0.00 C ATOM 89 CG PRO A 5 -4.085 -10.267 -0.670 1.00 0.00 C ATOM 90 CD PRO A 5 -4.788 -9.772 0.561 1.00 0.00 C ATOM 0 HA PRO A 5 -3.555 -7.060 -0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.347 -9.148 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.351 -9.031 -0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.796 -10.687 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.377 -11.058 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.684 -10.354 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.150 -9.829 1.443 1.00 0.00 H new ATOM 98 N ASP A 6 -5.875 -7.977 -2.531 1.00 0.00 N ATOM 99 CA ASP A 6 -6.724 -7.482 -3.612 1.00 0.00 C ATOM 100 C ASP A 6 -7.533 -6.267 -3.162 1.00 0.00 C ATOM 101 O ASP A 6 -7.673 -5.291 -3.900 1.00 0.00 O ATOM 102 CB ASP A 6 -7.670 -8.586 -4.088 1.00 0.00 C ATOM 103 CG ASP A 6 -8.688 -8.084 -5.093 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.302 -7.826 -6.251 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.879 -7.971 -4.732 1.00 0.00 O ATOM 0 H ASP A 6 -6.070 -8.939 -2.253 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.078 -7.180 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.088 -9.391 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.190 -9.010 -3.229 1.00 0.00 H new ATOM 110 N GLU A 7 -8.049 -6.335 -1.936 1.00 0.00 N ATOM 111 CA GLU A 7 -8.869 -5.264 -1.370 1.00 0.00 C ATOM 112 C GLU A 7 -8.084 -3.955 -1.304 1.00 0.00 C ATOM 113 O GLU A 7 -8.608 -2.890 -1.624 1.00 0.00 O ATOM 114 CB GLU A 7 -9.345 -5.654 0.033 1.00 0.00 C ATOM 115 CG GLU A 7 -10.371 -4.709 0.628 1.00 0.00 C ATOM 116 CD GLU A 7 -11.678 -4.728 -0.132 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.443 -5.703 0.019 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.959 -3.764 -0.867 1.00 0.00 O ATOM 0 H GLU A 7 -7.912 -7.129 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.733 -5.117 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.771 -6.657 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.482 -5.700 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.554 -4.982 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.970 -3.696 0.631 1.00 0.00 H new ATOM 125 N VAL A 8 -6.826 -4.043 -0.889 1.00 0.00 N ATOM 126 CA VAL A 8 -5.963 -2.872 -0.812 1.00 0.00 C ATOM 127 C VAL A 8 -5.791 -2.242 -2.192 1.00 0.00 C ATOM 128 O VAL A 8 -5.939 -1.033 -2.352 1.00 0.00 O ATOM 129 CB VAL A 8 -4.578 -3.227 -0.228 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.659 -2.013 -0.218 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.726 -3.788 1.176 1.00 0.00 C ATOM 0 H VAL A 8 -6.381 -4.914 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.444 -2.156 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.127 -3.987 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.691 -2.293 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.524 -1.650 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.103 -1.226 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.742 -4.034 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.202 -3.045 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.340 -4.688 1.145 1.00 0.00 H new ATOM 141 N ALA A 9 -5.500 -3.077 -3.183 1.00 0.00 N ATOM 142 CA ALA A 9 -5.355 -2.617 -4.559 1.00 0.00 C ATOM 143 C ALA A 9 -6.650 -1.973 -5.053 1.00 0.00 C ATOM 144 O ALA A 9 -6.629 -0.954 -5.745 1.00 0.00 O ATOM 145 CB ALA A 9 -4.957 -3.782 -5.451 1.00 0.00 C ATOM 0 H ALA A 9 -5.359 -4.080 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.571 -1.861 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.850 -3.434 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.009 -4.196 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.726 -4.553 -5.408 1.00 0.00 H new ATOM 151 N ARG A 10 -7.771 -2.571 -4.672 1.00 0.00 N ATOM 152 CA ARG A 10 -9.093 -2.055 -5.009 1.00 0.00 C ATOM 153 C ARG A 10 -9.278 -0.636 -4.465 1.00 0.00 C ATOM 154 O ARG A 10 -9.764 0.254 -5.168 1.00 0.00 O ATOM 155 CB ARG A 10 -10.152 -2.992 -4.431 1.00 0.00 C ATOM 156 CG ARG A 10 -11.587 -2.568 -4.693 1.00 0.00 C ATOM 157 CD ARG A 10 -12.558 -3.510 -4.003 1.00 0.00 C ATOM 158 NE ARG A 10 -13.950 -3.083 -4.135 1.00 0.00 N ATOM 159 CZ ARG A 10 -14.869 -3.265 -3.186 1.00 0.00 C ATOM 160 NH1 ARG A 10 -14.533 -3.825 -2.028 1.00 0.00 N ATOM 161 NH2 ARG A 10 -16.123 -2.885 -3.389 1.00 0.00 N ATOM 0 H ARG A 10 -7.790 -3.428 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.197 -2.010 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.001 -3.989 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.001 -3.068 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.742 -1.550 -4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.779 -2.561 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.448 -4.510 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.302 -3.578 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.233 -2.621 -4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.570 -4.117 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.239 -3.963 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.388 -2.452 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.823 -3.026 -2.661 1.00 0.00 H new ATOM 175 N VAL A 11 -8.881 -0.429 -3.214 1.00 0.00 N ATOM 176 CA VAL A 11 -8.983 0.884 -2.585 1.00 0.00 C ATOM 177 C VAL A 11 -7.997 1.864 -3.220 1.00 0.00 C ATOM 178 O VAL A 11 -8.279 3.055 -3.342 1.00 0.00 O ATOM 179 CB VAL A 11 -8.740 0.808 -1.061 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.886 2.181 -0.414 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.697 -0.181 -0.415 1.00 0.00 C ATOM 0 H VAL A 11 -8.485 -1.154 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.999 1.242 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.719 0.462 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.710 2.098 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.160 2.867 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.893 2.560 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.510 -0.220 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.724 0.137 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.544 -1.170 -0.846 1.00 0.00 H new ATOM 191 N LEU A 12 -6.841 1.362 -3.637 1.00 0.00 N ATOM 192 CA LEU A 12 -5.874 2.180 -4.357 1.00 0.00 C ATOM 193 C LEU A 12 -6.487 2.711 -5.652 1.00 0.00 C ATOM 194 O LEU A 12 -6.367 3.894 -5.970 1.00 0.00 O ATOM 195 CB LEU A 12 -4.606 1.375 -4.656 1.00 0.00 C ATOM 196 CG LEU A 12 -3.799 0.946 -3.427 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.621 0.080 -3.840 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.319 2.164 -2.654 1.00 0.00 C ATOM 0 H LEU A 12 -6.551 0.395 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.602 3.028 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.885 0.483 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.962 1.970 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.447 0.359 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.059 -0.216 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.986 -0.810 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.972 0.644 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.747 1.841 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.687 2.777 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.178 2.749 -2.327 1.00 0.00 H new ATOM 210 N GLU A 13 -7.148 1.828 -6.396 1.00 0.00 N ATOM 211 CA GLU A 13 -7.847 2.217 -7.614 1.00 0.00 C ATOM 212 C GLU A 13 -8.943 3.242 -7.316 1.00 0.00 C ATOM 213 O GLU A 13 -9.300 4.054 -8.173 1.00 0.00 O ATOM 214 CB GLU A 13 -8.431 0.984 -8.304 1.00 0.00 C ATOM 215 CG GLU A 13 -7.370 -0.004 -8.763 1.00 0.00 C ATOM 216 CD GLU A 13 -7.922 -1.087 -9.664 1.00 0.00 C ATOM 217 OE1 GLU A 13 -7.979 -0.864 -10.891 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.294 -2.165 -9.158 1.00 0.00 O ATOM 0 H GLU A 13 -7.213 0.835 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.129 2.685 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.114 0.482 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.019 1.302 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.584 0.535 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.909 -0.465 -7.890 1.00 0.00 H new ATOM 225 N LYS A 14 -9.467 3.203 -6.091 1.00 0.00 N ATOM 226 CA LYS A 14 -10.448 4.185 -5.633 1.00 0.00 C ATOM 227 C LYS A 14 -9.818 5.568 -5.480 1.00 0.00 C ATOM 228 O LYS A 14 -10.490 6.587 -5.623 1.00 0.00 O ATOM 229 CB LYS A 14 -11.061 3.751 -4.296 1.00 0.00 C ATOM 230 CG LYS A 14 -12.494 3.255 -4.403 1.00 0.00 C ATOM 231 CD LYS A 14 -13.432 4.359 -4.868 1.00 0.00 C ATOM 232 CE LYS A 14 -13.480 5.523 -3.884 1.00 0.00 C ATOM 233 NZ LYS A 14 -14.029 5.124 -2.559 1.00 0.00 N ATOM 0 H LYS A 14 -9.226 2.497 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.232 4.242 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.445 2.961 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.030 4.592 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.540 2.419 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.824 2.880 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.108 4.722 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.435 3.952 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.476 5.925 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.091 6.323 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.404 5.963 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.793 4.432 -2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.274 4.698 -1.984 1.00 0.00 H new ATOM 247 N ALA A 15 -8.525 5.596 -5.189 1.00 0.00 N ATOM 248 CA ALA A 15 -7.810 6.852 -5.013 1.00 0.00 C ATOM 249 C ALA A 15 -7.154 7.290 -6.319 1.00 0.00 C ATOM 250 O ALA A 15 -6.423 8.282 -6.360 1.00 0.00 O ATOM 251 CB ALA A 15 -6.771 6.716 -3.910 1.00 0.00 C ATOM 0 H ALA A 15 -7.949 4.762 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.527 7.619 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.243 7.662 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.265 6.454 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.059 5.935 -4.175 1.00 0.00 H new ATOM 257 N GLY A 16 -7.416 6.541 -7.381 1.00 0.00 N ATOM 258 CA GLY A 16 -6.891 6.889 -8.687 1.00 0.00 C ATOM 259 C GLY A 16 -5.451 6.460 -8.866 1.00 0.00 C ATOM 260 O GLY A 16 -4.650 7.178 -9.461 1.00 0.00 O ATOM 0 H GLY A 16 -7.985 5.695 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.504 6.422 -9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.966 7.967 -8.830 1.00 0.00 H new ATOM 264 N PHE A 17 -5.118 5.290 -8.345 1.00 0.00 N ATOM 265 CA PHE A 17 -3.766 4.764 -8.457 1.00 0.00 C ATOM 266 C PHE A 17 -3.573 3.984 -9.752 1.00 0.00 C ATOM 267 O PHE A 17 -4.539 3.545 -10.377 1.00 0.00 O ATOM 268 CB PHE A 17 -3.448 3.868 -7.267 1.00 0.00 C ATOM 269 CG PHE A 17 -2.865 4.598 -6.087 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.668 5.368 -5.261 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.511 4.506 -5.802 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.134 6.032 -4.175 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.970 5.171 -4.716 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.784 5.934 -3.902 1.00 0.00 C ATOM 0 H PHE A 17 -5.766 4.685 -7.840 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.083 5.613 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.361 3.362 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.748 3.095 -7.585 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.725 5.450 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.872 3.909 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.772 6.628 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.086 5.094 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.365 6.453 -3.053 1.00 0.00 H new ATOM 284 N THR A 18 -2.317 3.812 -10.137 1.00 0.00 N ATOM 285 CA THR A 18 -1.959 3.072 -11.339 1.00 0.00 C ATOM 286 C THR A 18 -0.895 2.024 -11.014 1.00 0.00 C ATOM 287 O THR A 18 -0.406 1.964 -9.889 1.00 0.00 O ATOM 288 CB THR A 18 -1.428 4.018 -12.437 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.405 4.866 -11.898 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.548 4.869 -13.017 1.00 0.00 C ATOM 0 H THR A 18 -1.516 4.182 -9.625 1.00 0.00 H new ATOM 0 HA THR A 18 -2.858 2.579 -11.709 1.00 0.00 H new ATOM 0 HB THR A 18 -1.012 3.408 -13.238 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.362 4.749 -10.926 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.144 5.525 -13.788 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.308 4.221 -13.454 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.995 5.471 -12.226 1.00 0.00 H new ATOM 298 N VAL A 19 -0.542 1.208 -11.997 1.00 0.00 N ATOM 299 CA VAL A 19 0.454 0.154 -11.809 1.00 0.00 C ATOM 300 C VAL A 19 1.757 0.499 -12.543 1.00 0.00 C ATOM 301 O VAL A 19 1.729 1.095 -13.625 1.00 0.00 O ATOM 302 CB VAL A 19 -0.094 -1.212 -12.310 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.423 -1.154 -13.792 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.886 -2.343 -12.035 1.00 0.00 C ATOM 0 H VAL A 19 -0.931 1.254 -12.939 1.00 0.00 H new ATOM 0 HA VAL A 19 0.666 0.077 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.010 -1.416 -11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.804 -2.122 -14.118 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.179 -0.388 -13.967 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.478 -0.910 -14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.469 -3.282 -12.399 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.827 -2.141 -12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.065 -2.417 -10.962 1.00 0.00 H new ATOM 314 N ASP A 20 2.895 0.177 -11.933 1.00 0.00 N ATOM 315 CA ASP A 20 4.189 0.311 -12.607 1.00 0.00 C ATOM 316 C ASP A 20 4.770 -1.059 -12.895 1.00 0.00 C ATOM 317 O ASP A 20 5.417 -1.271 -13.922 1.00 0.00 O ATOM 318 CB ASP A 20 5.202 1.125 -11.782 1.00 0.00 C ATOM 319 CG ASP A 20 5.587 0.472 -10.467 1.00 0.00 C ATOM 320 OD1 ASP A 20 4.685 0.013 -9.748 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.802 0.416 -10.160 1.00 0.00 O ATOM 0 H ASP A 20 2.950 -0.177 -10.978 1.00 0.00 H new ATOM 0 HA ASP A 20 4.006 0.849 -13.537 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.102 1.278 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.783 2.110 -11.579 1.00 0.00 H new ATOM 326 N VAL A 21 4.539 -1.984 -11.982 1.00 0.00 N ATOM 327 CA VAL A 21 5.043 -3.330 -12.120 1.00 0.00 C ATOM 328 C VAL A 21 4.034 -4.325 -11.553 1.00 0.00 C ATOM 329 O VAL A 21 3.248 -3.989 -10.672 1.00 0.00 O ATOM 330 CB VAL A 21 6.412 -3.478 -11.408 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.272 -3.383 -9.894 1.00 0.00 C ATOM 332 CG2 VAL A 21 7.097 -4.770 -11.810 1.00 0.00 C ATOM 0 H VAL A 21 4.000 -1.822 -11.131 1.00 0.00 H new ATOM 0 HA VAL A 21 5.188 -3.541 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 21 7.039 -2.647 -11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.253 -3.491 -9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.850 -2.414 -9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.613 -4.176 -9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.055 -4.849 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.467 -5.616 -11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.262 -4.775 -12.888 1.00 0.00 H new ATOM 342 N VAL A 22 4.031 -5.537 -12.070 1.00 0.00 N ATOM 343 CA VAL A 22 3.124 -6.553 -11.571 1.00 0.00 C ATOM 344 C VAL A 22 3.826 -7.903 -11.477 1.00 0.00 C ATOM 345 O VAL A 22 4.247 -8.478 -12.479 1.00 0.00 O ATOM 346 CB VAL A 22 1.839 -6.653 -12.433 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.170 -6.853 -13.905 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.938 -7.772 -11.926 1.00 0.00 C ATOM 0 H VAL A 22 4.640 -5.842 -12.829 1.00 0.00 H new ATOM 0 HA VAL A 22 2.817 -6.255 -10.569 1.00 0.00 H new ATOM 0 HB VAL A 22 1.303 -5.708 -12.341 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.246 -6.919 -14.480 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.761 -6.010 -14.263 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.740 -7.774 -14.028 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.042 -7.826 -12.544 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.472 -8.721 -11.978 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.655 -7.571 -10.893 1.00 0.00 H new ATOM 358 N THR A 23 3.984 -8.387 -10.255 1.00 0.00 N ATOM 359 CA THR A 23 4.575 -9.692 -10.026 1.00 0.00 C ATOM 360 C THR A 23 3.630 -10.530 -9.173 1.00 0.00 C ATOM 361 O THR A 23 2.791 -9.981 -8.453 1.00 0.00 O ATOM 362 CB THR A 23 5.963 -9.588 -9.350 1.00 0.00 C ATOM 363 OG1 THR A 23 5.867 -8.928 -8.080 1.00 0.00 O ATOM 364 CG2 THR A 23 6.946 -8.837 -10.238 1.00 0.00 C ATOM 0 H THR A 23 3.710 -7.893 -9.406 1.00 0.00 H new ATOM 0 HA THR A 23 4.725 -10.173 -10.993 1.00 0.00 H new ATOM 0 HB THR A 23 6.328 -10.603 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.213 -8.200 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.914 -8.778 -9.740 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.057 -9.365 -11.185 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.572 -7.830 -10.425 1.00 0.00 H new ATOM 372 N ASN A 24 3.767 -11.848 -9.236 1.00 0.00 N ATOM 373 CA ASN A 24 2.825 -12.739 -8.561 1.00 0.00 C ATOM 374 C ASN A 24 3.046 -12.737 -7.049 1.00 0.00 C ATOM 375 O ASN A 24 2.284 -13.340 -6.300 1.00 0.00 O ATOM 376 CB ASN A 24 2.945 -14.169 -9.098 1.00 0.00 C ATOM 377 CG ASN A 24 1.728 -15.017 -8.765 1.00 0.00 C ATOM 378 OD1 ASN A 24 0.596 -14.534 -8.789 1.00 0.00 O ATOM 379 ND2 ASN A 24 1.950 -16.277 -8.429 1.00 0.00 N ATOM 0 H ASN A 24 4.514 -12.323 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 24 1.822 -12.366 -8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.078 -14.138 -10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.836 -14.637 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.169 -16.883 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.902 -16.642 -8.420 1.00 0.00 H new ATOM 386 N LYS A 25 4.088 -12.052 -6.596 1.00 0.00 N ATOM 387 CA LYS A 25 4.372 -11.979 -5.169 1.00 0.00 C ATOM 388 C LYS A 25 4.130 -10.568 -4.655 1.00 0.00 C ATOM 389 O LYS A 25 4.053 -10.341 -3.448 1.00 0.00 O ATOM 390 CB LYS A 25 5.815 -12.399 -4.859 1.00 0.00 C ATOM 391 CG LYS A 25 6.125 -13.866 -5.131 1.00 0.00 C ATOM 392 CD LYS A 25 6.428 -14.125 -6.596 1.00 0.00 C ATOM 393 CE LYS A 25 6.781 -15.580 -6.840 1.00 0.00 C ATOM 394 NZ LYS A 25 7.272 -15.800 -8.223 1.00 0.00 N ATOM 0 H LYS A 25 4.744 -11.544 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 25 3.699 -12.672 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.493 -11.783 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.023 -12.186 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.977 -14.174 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.277 -14.478 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.564 -13.852 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.254 -13.490 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.545 -15.894 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.904 -16.202 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.504 -16.805 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.534 -15.524 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.123 -15.225 -8.385 1.00 0.00 H new ATOM 408 N THR A 26 3.958 -9.631 -5.577 1.00 0.00 N ATOM 409 CA THR A 26 3.876 -8.227 -5.225 1.00 0.00 C ATOM 410 C THR A 26 3.318 -7.385 -6.379 1.00 0.00 C ATOM 411 O THR A 26 3.798 -7.461 -7.512 1.00 0.00 O ATOM 412 CB THR A 26 5.275 -7.709 -4.808 1.00 0.00 C ATOM 413 OG1 THR A 26 5.491 -7.926 -3.407 1.00 0.00 O ATOM 414 CG2 THR A 26 5.460 -6.240 -5.141 1.00 0.00 C ATOM 0 H THR A 26 3.873 -9.822 -6.575 1.00 0.00 H new ATOM 0 HA THR A 26 3.187 -8.129 -4.386 1.00 0.00 H new ATOM 0 HB THR A 26 6.013 -8.273 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.982 -8.711 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.455 -5.919 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.350 -6.094 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.709 -5.650 -4.616 1.00 0.00 H new ATOM 422 N TYR A 27 2.287 -6.602 -6.089 1.00 0.00 N ATOM 423 CA TYR A 27 1.779 -5.624 -7.043 1.00 0.00 C ATOM 424 C TYR A 27 2.562 -4.331 -6.909 1.00 0.00 C ATOM 425 O TYR A 27 2.862 -3.903 -5.800 1.00 0.00 O ATOM 426 CB TYR A 27 0.305 -5.306 -6.798 1.00 0.00 C ATOM 427 CG TYR A 27 -0.682 -6.344 -7.279 1.00 0.00 C ATOM 428 CD1 TYR A 27 -0.762 -6.683 -8.622 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.561 -6.954 -6.392 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.685 -7.608 -9.070 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.492 -7.875 -6.831 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.549 -8.200 -8.170 1.00 0.00 C ATOM 433 OH TYR A 27 -3.479 -9.112 -8.612 1.00 0.00 O ATOM 0 H TYR A 27 1.786 -6.625 -5.201 1.00 0.00 H new ATOM 0 HA TYR A 27 1.890 -6.053 -8.039 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.157 -5.161 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.072 -4.358 -7.284 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.092 -6.216 -9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.515 -6.704 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.731 -7.867 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.171 -8.338 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.007 -9.435 -7.852 1.00 0.00 H new ATOM 443 N GLY A 28 2.884 -3.719 -8.029 1.00 0.00 N ATOM 444 CA GLY A 28 3.506 -2.417 -8.008 1.00 0.00 C ATOM 445 C GLY A 28 2.498 -1.336 -8.307 1.00 0.00 C ATOM 446 O GLY A 28 1.838 -1.367 -9.344 1.00 0.00 O ATOM 0 H GLY A 28 2.725 -4.102 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.956 -2.240 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.311 -2.382 -8.742 1.00 0.00 H new ATOM 450 N TYR A 29 2.372 -0.382 -7.411 1.00 0.00 N ATOM 451 CA TYR A 29 1.349 0.631 -7.533 1.00 0.00 C ATOM 452 C TYR A 29 1.936 2.026 -7.394 1.00 0.00 C ATOM 453 O TYR A 29 2.836 2.263 -6.596 1.00 0.00 O ATOM 454 CB TYR A 29 0.259 0.387 -6.492 1.00 0.00 C ATOM 455 CG TYR A 29 -0.944 -0.342 -7.049 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.938 0.344 -7.733 1.00 0.00 C ATOM 457 CD2 TYR A 29 -1.084 -1.717 -6.895 1.00 0.00 C ATOM 458 CE1 TYR A 29 -3.036 -0.318 -8.249 1.00 0.00 C ATOM 459 CE2 TYR A 29 -2.177 -2.385 -7.409 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.151 -1.682 -8.083 1.00 0.00 C ATOM 461 OH TYR A 29 -4.244 -2.348 -8.593 1.00 0.00 O ATOM 0 H TYR A 29 2.967 -0.287 -6.588 1.00 0.00 H new ATOM 0 HA TYR A 29 0.908 0.565 -8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.676 -0.191 -5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.062 1.344 -6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.852 1.413 -7.864 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.324 -2.272 -6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.800 0.230 -8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.268 -3.454 -7.283 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.063 -3.311 -8.606 1.00 0.00 H new ATOM 471 N ARG A 30 1.425 2.951 -8.183 1.00 0.00 N ATOM 472 CA ARG A 30 1.966 4.296 -8.219 1.00 0.00 C ATOM 473 C ARG A 30 0.883 5.317 -8.507 1.00 0.00 C ATOM 474 O ARG A 30 -0.148 4.999 -9.094 1.00 0.00 O ATOM 475 CB ARG A 30 3.045 4.395 -9.293 1.00 0.00 C ATOM 476 CG ARG A 30 2.584 3.946 -10.668 1.00 0.00 C ATOM 477 CD ARG A 30 3.623 4.252 -11.729 1.00 0.00 C ATOM 478 NE ARG A 30 3.294 3.622 -13.004 1.00 0.00 N ATOM 479 CZ ARG A 30 4.006 3.773 -14.120 1.00 0.00 C ATOM 480 NH1 ARG A 30 5.073 4.565 -14.129 1.00 0.00 N ATOM 481 NH2 ARG A 30 3.645 3.132 -15.224 1.00 0.00 N ATOM 0 H ARG A 30 0.635 2.796 -8.809 1.00 0.00 H new ATOM 0 HA ARG A 30 2.394 4.509 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.389 5.427 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.901 3.791 -8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.382 2.875 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.648 4.444 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.698 5.331 -11.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.600 3.905 -11.393 1.00 0.00 H new ATOM 0 HE ARG A 30 2.466 3.028 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.349 5.059 -13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.616 4.679 -14.985 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.825 2.526 -15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.188 3.245 -16.080 1.00 0.00 H new ATOM 495 N ARG A 31 1.127 6.541 -8.083 1.00 0.00 N ATOM 496 CA ARG A 31 0.263 7.653 -8.427 1.00 0.00 C ATOM 497 C ARG A 31 1.066 8.944 -8.381 1.00 0.00 C ATOM 498 O ARG A 31 1.186 9.583 -7.333 1.00 0.00 O ATOM 499 CB ARG A 31 -0.936 7.731 -7.482 1.00 0.00 C ATOM 500 CG ARG A 31 -2.070 8.586 -8.016 1.00 0.00 C ATOM 501 CD ARG A 31 -3.168 8.760 -6.982 1.00 0.00 C ATOM 502 NE ARG A 31 -2.674 9.462 -5.802 1.00 0.00 N ATOM 503 CZ ARG A 31 -3.442 10.124 -4.944 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.767 10.088 -5.051 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.871 10.801 -3.962 1.00 0.00 N ATOM 0 H ARG A 31 1.922 6.792 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.123 7.502 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.308 6.724 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.608 8.133 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.685 9.563 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.483 8.126 -8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.998 9.316 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.556 7.784 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.670 9.443 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.204 9.548 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.346 10.600 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.855 10.810 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.447 11.315 -3.295 1.00 0.00 H new ATOM 519 N GLY A 32 1.650 9.295 -9.515 1.00 0.00 N ATOM 520 CA GLY A 32 2.487 10.472 -9.586 1.00 0.00 C ATOM 521 C GLY A 32 3.903 10.191 -9.126 1.00 0.00 C ATOM 522 O GLY A 32 4.634 9.430 -9.765 1.00 0.00 O ATOM 0 H GLY A 32 1.558 8.782 -10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.506 10.842 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.056 11.261 -8.970 1.00 0.00 H new ATOM 526 N GLU A 33 4.278 10.783 -8.003 1.00 0.00 N ATOM 527 CA GLU A 33 5.624 10.643 -7.462 1.00 0.00 C ATOM 528 C GLU A 33 5.617 9.699 -6.264 1.00 0.00 C ATOM 529 O GLU A 33 6.670 9.304 -5.755 1.00 0.00 O ATOM 530 CB GLU A 33 6.190 12.013 -7.055 1.00 0.00 C ATOM 531 CG GLU A 33 5.457 12.688 -5.897 1.00 0.00 C ATOM 532 CD GLU A 33 4.011 13.022 -6.213 1.00 0.00 C ATOM 533 OE1 GLU A 33 3.753 14.123 -6.748 1.00 0.00 O ATOM 534 OE2 GLU A 33 3.129 12.177 -5.942 1.00 0.00 O ATOM 0 H GLU A 33 3.662 11.372 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 33 6.264 10.222 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.238 11.891 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.161 12.675 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.489 12.034 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.983 13.604 -5.628 1.00 0.00 H new ATOM 541 N ASN A 34 4.423 9.348 -5.813 1.00 0.00 N ATOM 542 CA ASN A 34 4.265 8.419 -4.704 1.00 0.00 C ATOM 543 C ASN A 34 4.080 7.000 -5.223 1.00 0.00 C ATOM 544 O ASN A 34 3.327 6.768 -6.175 1.00 0.00 O ATOM 545 CB ASN A 34 3.085 8.830 -3.820 1.00 0.00 C ATOM 546 CG ASN A 34 3.445 9.946 -2.855 1.00 0.00 C ATOM 547 OD1 ASN A 34 3.859 9.687 -1.726 1.00 0.00 O ATOM 548 ND2 ASN A 34 3.309 11.191 -3.293 1.00 0.00 N ATOM 0 H ASN A 34 3.545 9.694 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 34 5.170 8.448 -4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.257 9.152 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.738 7.964 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.551 11.974 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.962 11.365 -4.236 1.00 0.00 H new ATOM 555 N TYR A 35 4.777 6.057 -4.599 1.00 0.00 N ATOM 556 CA TYR A 35 4.770 4.668 -5.044 1.00 0.00 C ATOM 557 C TYR A 35 4.499 3.730 -3.873 1.00 0.00 C ATOM 558 O TYR A 35 4.930 3.990 -2.747 1.00 0.00 O ATOM 559 CB TYR A 35 6.114 4.300 -5.688 1.00 0.00 C ATOM 560 CG TYR A 35 6.491 5.154 -6.883 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.078 4.808 -8.161 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.253 6.305 -6.730 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.410 5.585 -9.255 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.592 7.086 -7.818 1.00 0.00 C ATOM 565 CZ TYR A 35 7.166 6.723 -9.077 1.00 0.00 C ATOM 566 OH TYR A 35 7.496 7.505 -10.158 1.00 0.00 O ATOM 0 H TYR A 35 5.357 6.231 -3.778 1.00 0.00 H new ATOM 0 HA TYR A 35 3.976 4.558 -5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.898 4.383 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.080 3.256 -5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.487 3.916 -8.304 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.586 6.594 -5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.079 5.302 -10.243 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.188 7.976 -7.682 1.00 0.00 H new ATOM 0 HH TYR A 35 8.031 8.269 -9.858 1.00 0.00 H new ATOM 576 N VAL A 36 3.786 2.649 -4.148 1.00 0.00 N ATOM 577 CA VAL A 36 3.489 1.630 -3.153 1.00 0.00 C ATOM 578 C VAL A 36 3.517 0.245 -3.792 1.00 0.00 C ATOM 579 O VAL A 36 3.579 0.113 -5.012 1.00 0.00 O ATOM 580 CB VAL A 36 2.110 1.844 -2.480 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.142 3.026 -1.530 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.017 2.034 -3.521 1.00 0.00 C ATOM 0 H VAL A 36 3.396 2.453 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 36 4.257 1.710 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 36 1.884 0.947 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.161 3.152 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.885 2.848 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.404 3.929 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.060 2.182 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.245 2.906 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.962 1.150 -4.156 1.00 0.00 H new ATOM 592 N TYR A 37 3.476 -0.778 -2.964 1.00 0.00 N ATOM 593 CA TYR A 37 3.462 -2.152 -3.435 1.00 0.00 C ATOM 594 C TYR A 37 2.475 -2.958 -2.604 1.00 0.00 C ATOM 595 O TYR A 37 2.325 -2.712 -1.410 1.00 0.00 O ATOM 596 CB TYR A 37 4.861 -2.773 -3.343 1.00 0.00 C ATOM 597 CG TYR A 37 5.863 -2.173 -4.305 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.962 -2.641 -5.609 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.705 -1.137 -3.916 1.00 0.00 C ATOM 600 CE1 TYR A 37 6.872 -2.099 -6.496 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.617 -0.589 -4.800 1.00 0.00 C ATOM 602 CZ TYR A 37 7.695 -1.074 -6.088 1.00 0.00 C ATOM 603 OH TYR A 37 8.604 -0.533 -6.969 1.00 0.00 O ATOM 0 H TYR A 37 3.451 -0.684 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 37 3.155 -2.165 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.234 -2.655 -2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.786 -3.844 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.316 -3.443 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.646 -0.754 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.937 -2.478 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.265 0.215 -4.483 1.00 0.00 H new ATOM 0 HH TYR A 37 8.256 -0.604 -7.882 1.00 0.00 H new ATOM 613 N VAL A 38 1.792 -3.898 -3.229 1.00 0.00 N ATOM 614 CA VAL A 38 0.813 -4.708 -2.519 1.00 0.00 C ATOM 615 C VAL A 38 1.272 -6.155 -2.453 1.00 0.00 C ATOM 616 O VAL A 38 1.431 -6.817 -3.483 1.00 0.00 O ATOM 617 CB VAL A 38 -0.583 -4.637 -3.169 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.607 -5.369 -2.317 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.999 -3.190 -3.391 1.00 0.00 C ATOM 0 H VAL A 38 1.893 -4.121 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 38 0.733 -4.301 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.535 -5.129 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.586 -5.308 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.317 -6.415 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.654 -4.910 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.987 -3.162 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.029 -2.669 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.279 -2.701 -4.048 1.00 0.00 H new ATOM 629 N ASN A 39 1.488 -6.634 -1.240 1.00 0.00 N ATOM 630 CA ASN A 39 1.966 -7.990 -1.018 1.00 0.00 C ATOM 631 C ASN A 39 0.895 -9.024 -1.325 1.00 0.00 C ATOM 632 O ASN A 39 -0.242 -8.905 -0.873 1.00 0.00 O ATOM 633 CB ASN A 39 2.438 -8.175 0.425 1.00 0.00 C ATOM 634 CG ASN A 39 3.819 -7.601 0.675 1.00 0.00 C ATOM 635 OD1 ASN A 39 4.176 -7.303 1.810 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.604 -7.426 -0.381 1.00 0.00 N ATOM 0 H ASN A 39 1.338 -6.098 -0.385 1.00 0.00 H new ATOM 0 HA ASN A 39 2.804 -8.141 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.725 -7.699 1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.443 -9.238 0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.537 -7.032 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.274 -7.685 -1.311 1.00 0.00 H new ATOM 643 N ARG A 40 1.270 -10.047 -2.085 1.00 0.00 N ATOM 644 CA ARG A 40 0.384 -11.182 -2.341 1.00 0.00 C ATOM 645 C ARG A 40 0.481 -12.150 -1.181 1.00 0.00 C ATOM 646 O ARG A 40 -0.295 -13.094 -1.055 1.00 0.00 O ATOM 647 CB ARG A 40 0.785 -11.898 -3.630 1.00 0.00 C ATOM 648 CG ARG A 40 0.935 -10.963 -4.809 1.00 0.00 C ATOM 649 CD ARG A 40 -0.350 -10.225 -5.089 1.00 0.00 C ATOM 650 NE ARG A 40 -1.366 -11.096 -5.691 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.391 -11.435 -6.986 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.448 -10.992 -7.815 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.352 -12.225 -7.452 1.00 0.00 N ATOM 0 H ARG A 40 2.182 -10.116 -2.536 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.638 -10.818 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.727 -12.423 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.036 -12.653 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.732 -10.247 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.231 -11.531 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.737 -9.806 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.149 -9.388 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.099 -11.466 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.298 -10.391 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.472 -11.253 -8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.074 -12.575 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.368 -12.481 -8.439 1.00 0.00 H new ATOM 667 N GLU A 41 1.450 -11.875 -0.328 1.00 0.00 N ATOM 668 CA GLU A 41 1.811 -12.753 0.762 1.00 0.00 C ATOM 669 C GLU A 41 1.041 -12.377 2.023 1.00 0.00 C ATOM 670 O GLU A 41 1.319 -12.885 3.110 1.00 0.00 O ATOM 671 CB GLU A 41 3.314 -12.630 1.001 1.00 0.00 C ATOM 672 CG GLU A 41 4.119 -12.516 -0.289 1.00 0.00 C ATOM 673 CD GLU A 41 5.610 -12.370 -0.032 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.284 -13.400 0.180 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.114 -11.227 -0.034 1.00 0.00 O ATOM 0 H GLU A 41 2.013 -11.026 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 41 1.558 -13.783 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.507 -11.754 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.659 -13.499 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.944 -13.400 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.766 -11.657 -0.860 1.00 0.00 H new ATOM 682 N ALA A 42 0.075 -11.483 1.872 1.00 0.00 N ATOM 683 CA ALA A 42 -0.696 -11.003 3.003 1.00 0.00 C ATOM 684 C ALA A 42 -1.929 -11.868 3.228 1.00 0.00 C ATOM 685 O ALA A 42 -3.020 -11.555 2.750 1.00 0.00 O ATOM 686 CB ALA A 42 -1.088 -9.550 2.801 1.00 0.00 C ATOM 0 H ALA A 42 -0.192 -11.077 0.975 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.072 -11.071 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.666 -9.206 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.189 -8.941 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.691 -9.458 1.897 1.00 0.00 H new ATOM 692 N ARG A 43 -1.741 -12.969 3.937 1.00 0.00 N ATOM 693 CA ARG A 43 -2.845 -13.855 4.273 1.00 0.00 C ATOM 694 C ARG A 43 -3.521 -13.353 5.539 1.00 0.00 C ATOM 695 O ARG A 43 -4.724 -13.521 5.735 1.00 0.00 O ATOM 696 CB ARG A 43 -2.344 -15.282 4.482 1.00 0.00 C ATOM 697 CG ARG A 43 -1.489 -15.812 3.342 1.00 0.00 C ATOM 698 CD ARG A 43 -0.978 -17.207 3.647 1.00 0.00 C ATOM 699 NE ARG A 43 -0.389 -17.278 4.984 1.00 0.00 N ATOM 700 CZ ARG A 43 -0.659 -18.241 5.862 1.00 0.00 C ATOM 701 NH1 ARG A 43 -1.387 -19.290 5.497 1.00 0.00 N ATOM 702 NH2 ARG A 43 -0.177 -18.165 7.095 1.00 0.00 N ATOM 0 H ARG A 43 -0.834 -13.271 4.292 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.560 -13.860 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.765 -15.321 5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.202 -15.941 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.073 -15.828 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.647 -15.141 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.798 -17.921 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.234 -17.494 2.904 1.00 0.00 H new ATOM 0 HE ARG A 43 0.267 -16.547 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.740 -19.358 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.593 -20.027 6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.400 -17.369 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.383 -18.902 7.769 1.00 0.00 H new ATOM 716 N MET A 44 -2.720 -12.731 6.398 1.00 0.00 N ATOM 717 CA MET A 44 -3.238 -12.077 7.593 1.00 0.00 C ATOM 718 C MET A 44 -4.101 -10.892 7.191 1.00 0.00 C ATOM 719 O MET A 44 -5.098 -10.583 7.840 1.00 0.00 O ATOM 720 CB MET A 44 -2.098 -11.580 8.487 1.00 0.00 C ATOM 721 CG MET A 44 -1.154 -12.664 8.972 1.00 0.00 C ATOM 722 SD MET A 44 0.191 -11.995 9.975 1.00 0.00 S ATOM 723 CE MET A 44 1.157 -13.474 10.278 1.00 0.00 C ATOM 0 H MET A 44 -1.708 -12.666 6.288 1.00 0.00 H new ATOM 0 HA MET A 44 -3.829 -12.805 8.149 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.522 -10.835 7.938 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.527 -11.076 9.353 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.712 -13.395 9.556 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.738 -13.192 8.114 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.025 -13.223 10.887 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.545 -14.207 10.803 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.489 -13.893 9.328 1.00 0.00 H new ATOM 733 N GLY A 45 -3.711 -10.249 6.096 1.00 0.00 N ATOM 734 CA GLY A 45 -4.386 -9.049 5.653 1.00 0.00 C ATOM 735 C GLY A 45 -3.755 -7.807 6.236 1.00 0.00 C ATOM 736 O GLY A 45 -4.246 -6.694 6.048 1.00 0.00 O ATOM 0 H GLY A 45 -2.933 -10.542 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.357 -8.996 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.436 -9.094 5.942 1.00 0.00 H new ATOM 740 N ARG A 46 -2.657 -8.004 6.947 1.00 0.00 N ATOM 741 CA ARG A 46 -1.967 -6.909 7.602 1.00 0.00 C ATOM 742 C ARG A 46 -0.845 -6.364 6.719 1.00 0.00 C ATOM 743 O ARG A 46 -0.917 -5.228 6.254 1.00 0.00 O ATOM 744 CB ARG A 46 -1.425 -7.377 8.957 1.00 0.00 C ATOM 745 CG ARG A 46 -0.745 -6.284 9.762 1.00 0.00 C ATOM 746 CD ARG A 46 -0.535 -6.700 11.212 1.00 0.00 C ATOM 747 NE ARG A 46 0.177 -7.973 11.331 1.00 0.00 N ATOM 748 CZ ARG A 46 1.118 -8.214 12.245 1.00 0.00 C ATOM 749 NH1 ARG A 46 1.453 -7.275 13.120 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.719 -9.395 12.288 1.00 0.00 N ATOM 0 H ARG A 46 -2.224 -8.917 7.085 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.674 -6.096 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.247 -7.787 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.715 -8.188 8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.217 -6.044 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.349 -5.377 9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.026 -5.923 11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.502 -6.781 11.708 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.060 -8.719 10.677 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.991 -6.366 13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.173 -7.462 13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.462 -10.123 11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.438 -9.576 12.988 1.00 0.00 H new ATOM 764 N THR A 47 0.160 -7.194 6.448 1.00 0.00 N ATOM 765 CA THR A 47 1.346 -6.775 5.694 1.00 0.00 C ATOM 766 C THR A 47 1.056 -6.587 4.202 1.00 0.00 C ATOM 767 O THR A 47 1.932 -6.778 3.368 1.00 0.00 O ATOM 768 CB THR A 47 2.467 -7.821 5.852 1.00 0.00 C ATOM 769 OG1 THR A 47 1.927 -9.139 5.664 1.00 0.00 O ATOM 770 CG2 THR A 47 3.109 -7.727 7.225 1.00 0.00 C ATOM 0 H THR A 47 0.179 -8.171 6.741 1.00 0.00 H new ATOM 0 HA THR A 47 1.656 -5.813 6.103 1.00 0.00 H new ATOM 0 HB THR A 47 3.230 -7.623 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.641 -9.802 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.897 -8.476 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.537 -6.733 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.355 -7.904 7.992 1.00 0.00 H new ATOM 778 N ALA A 48 -0.165 -6.190 3.876 1.00 0.00 N ATOM 779 CA ALA A 48 -0.587 -6.064 2.491 1.00 0.00 C ATOM 780 C ALA A 48 -0.012 -4.814 1.822 1.00 0.00 C ATOM 781 O ALA A 48 0.376 -4.858 0.655 1.00 0.00 O ATOM 782 CB ALA A 48 -2.104 -6.073 2.402 1.00 0.00 C ATOM 0 H ALA A 48 -0.884 -5.948 4.558 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.193 -6.923 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.408 -5.978 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.487 -7.010 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.507 -5.238 2.975 1.00 0.00 H new ATOM 788 N LEU A 49 0.050 -3.706 2.557 1.00 0.00 N ATOM 789 CA LEU A 49 0.478 -2.442 1.964 1.00 0.00 C ATOM 790 C LEU A 49 1.945 -2.137 2.248 1.00 0.00 C ATOM 791 O LEU A 49 2.340 -1.891 3.396 1.00 0.00 O ATOM 792 CB LEU A 49 -0.380 -1.272 2.456 1.00 0.00 C ATOM 793 CG LEU A 49 -0.014 0.082 1.832 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.339 0.096 0.347 1.00 0.00 C ATOM 795 CD2 LEU A 49 -0.721 1.223 2.546 1.00 0.00 C ATOM 0 H LEU A 49 -0.186 -3.657 3.548 1.00 0.00 H new ATOM 0 HA LEU A 49 0.350 -2.558 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.427 -1.488 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.286 -1.197 3.539 1.00 0.00 H new ATOM 0 HG LEU A 49 1.060 0.225 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.072 1.065 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.227 -0.688 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.406 -0.079 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.443 2.170 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.800 1.086 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.428 1.233 3.596 1.00 0.00 H new ATOM 807 N ILE A 50 2.733 -2.144 1.188 1.00 0.00 N ATOM 808 CA ILE A 50 4.120 -1.715 1.235 1.00 0.00 C ATOM 809 C ILE A 50 4.217 -0.316 0.637 1.00 0.00 C ATOM 810 O ILE A 50 3.576 -0.034 -0.371 1.00 0.00 O ATOM 811 CB ILE A 50 5.026 -2.668 0.422 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.825 -4.122 0.863 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.487 -2.265 0.547 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.148 -4.377 2.320 1.00 0.00 C ATOM 0 H ILE A 50 2.427 -2.449 0.264 1.00 0.00 H new ATOM 0 HA ILE A 50 4.453 -1.721 2.273 1.00 0.00 H new ATOM 0 HB ILE A 50 4.741 -2.589 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.790 -4.407 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.450 -4.767 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.104 -2.950 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.618 -1.251 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.787 -2.305 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.980 -5.429 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.191 -4.126 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.506 -3.760 2.948 1.00 0.00 H new ATOM 826 N ILE A 51 4.991 0.566 1.249 1.00 0.00 N ATOM 827 CA ILE A 51 5.119 1.926 0.734 1.00 0.00 C ATOM 828 C ILE A 51 6.534 2.204 0.255 1.00 0.00 C ATOM 829 O ILE A 51 7.458 1.437 0.534 1.00 0.00 O ATOM 830 CB ILE A 51 4.762 2.989 1.791 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.779 2.955 2.934 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.343 2.779 2.307 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.611 4.074 3.934 1.00 0.00 C ATOM 0 H ILE A 51 5.534 0.372 2.091 1.00 0.00 H new ATOM 0 HA ILE A 51 4.416 1.994 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 51 4.802 3.975 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.695 2.001 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.784 3.003 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.111 3.540 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.639 2.856 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.263 1.791 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.368 3.982 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.725 5.033 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.619 4.015 4.382 1.00 0.00 H new ATOM 845 N HIS A 52 6.682 3.303 -0.474 1.00 0.00 N ATOM 846 CA HIS A 52 7.989 3.816 -0.854 1.00 0.00 C ATOM 847 C HIS A 52 8.797 4.149 0.399 1.00 0.00 C ATOM 848 O HIS A 52 8.394 5.001 1.193 1.00 0.00 O ATOM 849 CB HIS A 52 7.818 5.073 -1.727 1.00 0.00 C ATOM 850 CG HIS A 52 9.098 5.676 -2.252 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.289 5.672 -1.557 1.00 0.00 N ATOM 852 CD2 HIS A 52 9.356 6.319 -3.418 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.216 6.287 -2.260 1.00 0.00 C ATOM 854 NE2 HIS A 52 10.679 6.688 -3.397 1.00 0.00 N ATOM 0 H HIS A 52 5.900 3.862 -0.817 1.00 0.00 H new ATOM 0 HA HIS A 52 8.524 3.058 -1.426 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.180 4.822 -2.575 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.292 5.830 -1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.652 6.506 -4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.242 6.438 -1.958 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.167 7.190 -4.139 1.00 0.00 H new ATOM 863 N PRO A 53 9.940 3.471 0.588 1.00 0.00 N ATOM 864 CA PRO A 53 10.878 3.763 1.681 1.00 0.00 C ATOM 865 C PRO A 53 11.277 5.218 1.710 1.00 0.00 C ATOM 866 O PRO A 53 12.172 5.621 0.963 1.00 0.00 O ATOM 867 CB PRO A 53 12.103 2.970 1.305 1.00 0.00 C ATOM 868 CG PRO A 53 11.581 1.813 0.528 1.00 0.00 C ATOM 869 CD PRO A 53 10.408 2.342 -0.244 1.00 0.00 C ATOM 0 HA PRO A 53 10.441 3.525 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.794 3.567 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.648 2.640 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.343 1.414 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.281 1.000 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.697 2.670 -1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.633 1.585 -0.369 1.00 0.00 H new ATOM 877 N ARG A 54 10.618 5.998 2.545 1.00 0.00 N ATOM 878 CA ARG A 54 10.822 7.435 2.557 1.00 0.00 C ATOM 879 C ARG A 54 9.784 8.103 3.446 1.00 0.00 C ATOM 880 O ARG A 54 10.088 9.013 4.213 1.00 0.00 O ATOM 881 CB ARG A 54 10.722 7.967 1.128 1.00 0.00 C ATOM 882 CG ARG A 54 10.855 9.477 1.016 1.00 0.00 C ATOM 883 CD ARG A 54 10.878 9.934 -0.432 1.00 0.00 C ATOM 884 NE ARG A 54 12.132 9.576 -1.102 1.00 0.00 N ATOM 885 CZ ARG A 54 12.690 10.291 -2.083 1.00 0.00 C ATOM 886 NH1 ARG A 54 12.105 11.395 -2.528 1.00 0.00 N ATOM 887 NH2 ARG A 54 13.839 9.900 -2.620 1.00 0.00 N ATOM 0 H ARG A 54 9.936 5.661 3.225 1.00 0.00 H new ATOM 0 HA ARG A 54 11.811 7.661 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.498 7.499 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.763 7.665 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.024 9.955 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.770 9.799 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.041 9.486 -0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.741 11.015 -0.473 1.00 0.00 H new ATOM 0 HE ARG A 54 12.609 8.727 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.222 11.704 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.538 11.935 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.297 9.053 -2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.264 10.447 -3.369 1.00 0.00 H new ATOM 901 N LEU A 55 8.558 7.617 3.350 1.00 0.00 N ATOM 902 CA LEU A 55 7.443 8.165 4.110 1.00 0.00 C ATOM 903 C LEU A 55 7.300 7.487 5.465 1.00 0.00 C ATOM 904 O LEU A 55 6.204 7.425 6.011 1.00 0.00 O ATOM 905 CB LEU A 55 6.153 7.980 3.315 1.00 0.00 C ATOM 906 CG LEU A 55 5.928 9.002 2.209 1.00 0.00 C ATOM 907 CD1 LEU A 55 4.773 8.579 1.315 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.659 10.361 2.826 1.00 0.00 C ATOM 0 H LEU A 55 8.306 6.835 2.746 1.00 0.00 H new ATOM 0 HA LEU A 55 7.638 9.224 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.156 6.983 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.310 8.021 4.004 1.00 0.00 H new ATOM 0 HG LEU A 55 6.823 9.062 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.628 9.322 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.998 7.613 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.863 8.497 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.498 11.094 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.771 10.305 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.515 10.662 3.431 1.00 0.00 H new ATOM 920 N LYS A 56 8.411 7.026 6.020 1.00 0.00 N ATOM 921 CA LYS A 56 8.381 6.178 7.206 1.00 0.00 C ATOM 922 C LYS A 56 7.693 6.860 8.389 1.00 0.00 C ATOM 923 O LYS A 56 6.736 6.318 8.936 1.00 0.00 O ATOM 924 CB LYS A 56 9.799 5.750 7.584 1.00 0.00 C ATOM 925 CG LYS A 56 9.832 4.635 8.612 1.00 0.00 C ATOM 926 CD LYS A 56 11.210 4.007 8.707 1.00 0.00 C ATOM 927 CE LYS A 56 11.195 2.790 9.617 1.00 0.00 C ATOM 928 NZ LYS A 56 12.522 2.124 9.687 1.00 0.00 N ATOM 0 H LYS A 56 9.348 7.225 5.668 1.00 0.00 H new ATOM 0 HA LYS A 56 7.792 5.294 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.325 5.424 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.340 6.612 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.542 5.028 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.101 3.872 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.550 3.717 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.922 4.740 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.889 3.091 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.452 2.078 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.401 1.096 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.130 2.480 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.965 2.329 10.605 1.00 0.00 H new ATOM 942 N ASP A 57 8.161 8.049 8.761 1.00 0.00 N ATOM 943 CA ASP A 57 7.620 8.761 9.924 1.00 0.00 C ATOM 944 C ASP A 57 6.132 9.053 9.770 1.00 0.00 C ATOM 945 O ASP A 57 5.323 8.642 10.603 1.00 0.00 O ATOM 946 CB ASP A 57 8.374 10.072 10.169 1.00 0.00 C ATOM 947 CG ASP A 57 9.729 9.856 10.803 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.792 9.735 12.045 1.00 0.00 O ATOM 949 OD2 ASP A 57 10.736 9.815 10.065 1.00 0.00 O ATOM 0 H ASP A 57 8.912 8.542 8.278 1.00 0.00 H new ATOM 0 HA ASP A 57 7.755 8.103 10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.500 10.596 9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.775 10.716 10.813 1.00 0.00 H new ATOM 954 N ARG A 58 5.779 9.764 8.705 1.00 0.00 N ATOM 955 CA ARG A 58 4.389 10.134 8.457 1.00 0.00 C ATOM 956 C ARG A 58 3.501 8.901 8.358 1.00 0.00 C ATOM 957 O ARG A 58 2.471 8.816 9.025 1.00 0.00 O ATOM 958 CB ARG A 58 4.276 10.965 7.174 1.00 0.00 C ATOM 959 CG ARG A 58 2.849 11.122 6.669 1.00 0.00 C ATOM 960 CD ARG A 58 2.768 12.090 5.500 1.00 0.00 C ATOM 961 NE ARG A 58 3.077 13.460 5.897 1.00 0.00 N ATOM 962 CZ ARG A 58 3.733 14.333 5.131 1.00 0.00 C ATOM 963 NH1 ARG A 58 4.166 13.975 3.927 1.00 0.00 N ATOM 964 NH2 ARG A 58 3.953 15.565 5.570 1.00 0.00 N ATOM 0 H ARG A 58 6.436 10.096 7.999 1.00 0.00 H new ATOM 0 HA ARG A 58 4.049 10.734 9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.699 11.953 7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.878 10.497 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.462 10.150 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.213 11.477 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.461 11.774 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.767 12.055 5.070 1.00 0.00 H new ATOM 0 HE ARG A 58 2.772 13.770 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.997 13.029 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.667 14.646 3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.621 15.844 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.455 16.233 4.985 1.00 0.00 H new ATOM 978 N SER A 59 3.908 7.950 7.529 1.00 0.00 N ATOM 979 CA SER A 59 3.118 6.755 7.300 1.00 0.00 C ATOM 980 C SER A 59 2.920 5.962 8.595 1.00 0.00 C ATOM 981 O SER A 59 1.813 5.515 8.883 1.00 0.00 O ATOM 982 CB SER A 59 3.769 5.885 6.227 1.00 0.00 C ATOM 983 OG SER A 59 3.034 4.696 6.006 1.00 0.00 O ATOM 0 H SER A 59 4.782 7.986 7.005 1.00 0.00 H new ATOM 0 HA SER A 59 2.134 7.064 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.842 6.447 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.786 5.634 6.528 1.00 0.00 H new ATOM 0 HG SER A 59 3.534 3.931 6.360 1.00 0.00 H new ATOM 989 N SER A 60 3.994 5.798 9.365 1.00 0.00 N ATOM 990 CA SER A 60 3.942 5.067 10.632 1.00 0.00 C ATOM 991 C SER A 60 2.973 5.733 11.612 1.00 0.00 C ATOM 992 O SER A 60 2.277 5.058 12.371 1.00 0.00 O ATOM 993 CB SER A 60 5.347 4.974 11.247 1.00 0.00 C ATOM 994 OG SER A 60 5.341 4.266 12.476 1.00 0.00 O ATOM 0 H SER A 60 4.917 6.164 9.132 1.00 0.00 H new ATOM 0 HA SER A 60 3.577 4.060 10.431 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.018 4.478 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.740 5.978 11.408 1.00 0.00 H new ATOM 0 HG SER A 60 6.252 4.227 12.835 1.00 0.00 H new ATOM 1000 N SER A 61 2.916 7.060 11.573 1.00 0.00 N ATOM 1001 CA SER A 61 2.055 7.821 12.469 1.00 0.00 C ATOM 1002 C SER A 61 0.589 7.700 12.039 1.00 0.00 C ATOM 1003 O SER A 61 -0.325 8.083 12.777 1.00 0.00 O ATOM 1004 CB SER A 61 2.496 9.288 12.484 1.00 0.00 C ATOM 1005 OG SER A 61 1.911 10.005 13.563 1.00 0.00 O ATOM 0 H SER A 61 3.459 7.633 10.927 1.00 0.00 H new ATOM 0 HA SER A 61 2.144 7.415 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.582 9.340 12.560 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.219 9.760 11.541 1.00 0.00 H new ATOM 0 HG SER A 61 0.959 9.781 13.627 1.00 0.00 H new ATOM 1011 N LEU A 62 0.376 7.159 10.846 1.00 0.00 N ATOM 1012 CA LEU A 62 -0.966 6.991 10.308 1.00 0.00 C ATOM 1013 C LEU A 62 -1.396 5.530 10.343 1.00 0.00 C ATOM 1014 O LEU A 62 -2.483 5.208 10.813 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.033 7.516 8.871 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.940 9.036 8.737 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.868 9.439 7.273 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.135 9.697 9.408 1.00 0.00 C ATOM 0 H LEU A 62 1.120 6.828 10.231 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.649 7.565 10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.224 7.065 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.968 7.183 8.421 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.029 9.372 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.802 10.524 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.013 8.989 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.763 9.093 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.057 10.779 9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.054 9.353 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.151 9.433 10.465 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.534 4.651 9.859 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.855 3.241 9.762 1.00 0.00 C ATOM 1032 C ALA A 63 0.125 2.404 10.570 1.00 0.00 C ATOM 1033 O ALA A 63 1.330 2.655 10.547 1.00 0.00 O ATOM 1034 CB ALA A 63 -0.852 2.809 8.308 1.00 0.00 C ATOM 0 H ALA A 63 0.399 4.894 9.526 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.851 3.083 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.094 1.748 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.594 3.385 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.135 2.983 7.879 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.397 1.404 11.263 1.00 0.00 N ATOM 1041 CA ASP A 64 0.413 0.571 12.147 1.00 0.00 C ATOM 1042 C ASP A 64 1.298 -0.379 11.350 1.00 0.00 C ATOM 1043 O ASP A 64 0.805 -1.176 10.554 1.00 0.00 O ATOM 1044 CB ASP A 64 -0.487 -0.232 13.084 1.00 0.00 C ATOM 1045 CG ASP A 64 0.294 -0.919 14.184 1.00 0.00 C ATOM 1046 OD1 ASP A 64 0.839 -0.206 15.053 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.344 -2.167 14.206 1.00 0.00 O ATOM 0 H ASP A 64 -1.383 1.146 11.232 1.00 0.00 H new ATOM 0 HA ASP A 64 1.054 1.230 12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.229 0.432 13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.032 -0.979 12.508 1.00 0.00 H new ATOM 1052 N PRO A 65 2.620 -0.290 11.534 1.00 0.00 N ATOM 1053 CA PRO A 65 3.575 -1.174 10.871 1.00 0.00 C ATOM 1054 C PRO A 65 3.599 -2.562 11.500 1.00 0.00 C ATOM 1055 O PRO A 65 3.740 -2.703 12.714 1.00 0.00 O ATOM 1056 CB PRO A 65 4.930 -0.472 11.068 1.00 0.00 C ATOM 1057 CG PRO A 65 4.615 0.856 11.680 1.00 0.00 C ATOM 1058 CD PRO A 65 3.303 0.689 12.384 1.00 0.00 C ATOM 0 HA PRO A 65 3.320 -1.333 9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.583 -1.057 11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.450 -0.351 10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.396 1.158 12.378 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.552 1.632 10.917 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.431 0.325 13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.752 1.628 12.448 1.00 0.00 H new ATOM 1066 N ALA A 66 3.457 -3.588 10.669 1.00 0.00 N ATOM 1067 CA ALA A 66 3.513 -4.967 11.139 1.00 0.00 C ATOM 1068 C ALA A 66 4.956 -5.392 11.382 1.00 0.00 C ATOM 1069 O ALA A 66 5.229 -6.454 11.939 1.00 0.00 O ATOM 1070 CB ALA A 66 2.855 -5.889 10.131 1.00 0.00 C ATOM 0 H ALA A 66 3.302 -3.491 9.666 1.00 0.00 H new ATOM 0 HA ALA A 66 2.972 -5.034 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.903 -6.916 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.813 -5.599 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.376 -5.816 9.176 1.00 0.00 H new ATOM 1076 N SER A 67 5.867 -4.546 10.942 1.00 0.00 N ATOM 1077 CA SER A 67 7.288 -4.767 11.111 1.00 0.00 C ATOM 1078 C SER A 67 8.001 -3.431 11.090 1.00 0.00 C ATOM 1079 O SER A 67 7.711 -2.540 11.889 1.00 0.00 O ATOM 1080 CB SER A 67 7.807 -5.705 10.010 1.00 0.00 C ATOM 1081 OG SER A 67 9.163 -6.054 10.224 1.00 0.00 O ATOM 0 H SER A 67 5.639 -3.680 10.454 1.00 0.00 H new ATOM 0 HA SER A 67 7.484 -5.247 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.197 -6.608 9.982 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.703 -5.221 9.039 1.00 0.00 H new ATOM 0 HG SER A 67 9.464 -6.652 9.509 1.00 0.00 H new ATOM 1087 N ASP A 68 8.893 -3.301 10.155 1.00 0.00 N ATOM 1088 CA ASP A 68 9.635 -2.068 9.950 1.00 0.00 C ATOM 1089 C ASP A 68 10.152 -2.023 8.530 1.00 0.00 C ATOM 1090 O ASP A 68 9.984 -1.033 7.820 1.00 0.00 O ATOM 1091 CB ASP A 68 10.821 -1.989 10.914 1.00 0.00 C ATOM 1092 CG ASP A 68 11.401 -0.593 11.008 1.00 0.00 C ATOM 1093 OD1 ASP A 68 10.746 0.289 11.603 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.516 -0.369 10.496 1.00 0.00 O ATOM 0 H ASP A 68 9.137 -4.046 9.502 1.00 0.00 H new ATOM 0 HA ASP A 68 8.969 -1.225 10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.502 -2.314 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.598 -2.680 10.587 1.00 0.00 H new ATOM 1099 N ILE A 69 10.762 -3.120 8.119 1.00 0.00 N ATOM 1100 CA ILE A 69 11.279 -3.253 6.772 1.00 0.00 C ATOM 1101 C ILE A 69 11.103 -4.674 6.266 1.00 0.00 C ATOM 1102 O ILE A 69 11.316 -5.644 6.990 1.00 0.00 O ATOM 1103 CB ILE A 69 12.770 -2.868 6.685 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.482 -3.266 7.974 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.922 -1.376 6.421 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.981 -3.043 7.945 1.00 0.00 C ATOM 0 H ILE A 69 10.912 -3.939 8.708 1.00 0.00 H new ATOM 0 HA ILE A 69 10.708 -2.566 6.148 1.00 0.00 H new ATOM 0 HB ILE A 69 13.227 -3.404 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.057 -2.699 8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.286 -4.319 8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.981 -1.123 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.436 -1.122 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.459 -0.814 7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.413 -3.350 8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.421 -3.632 7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.188 -1.986 7.777 1.00 0.00 H new ATOM 1118 N LYS A 70 10.692 -4.772 5.026 1.00 0.00 N ATOM 1119 CA LYS A 70 10.519 -6.053 4.355 1.00 0.00 C ATOM 1120 C LYS A 70 11.334 -6.062 3.070 1.00 0.00 C ATOM 1121 O LYS A 70 11.058 -5.294 2.148 1.00 0.00 O ATOM 1122 CB LYS A 70 9.034 -6.306 4.050 1.00 0.00 C ATOM 1123 CG LYS A 70 8.779 -7.504 3.145 1.00 0.00 C ATOM 1124 CD LYS A 70 7.294 -7.670 2.859 1.00 0.00 C ATOM 1125 CE LYS A 70 7.031 -8.645 1.718 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.457 -10.032 2.029 1.00 0.00 N ATOM 0 H LYS A 70 10.465 -3.966 4.444 1.00 0.00 H new ATOM 0 HA LYS A 70 10.870 -6.851 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.502 -6.454 4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.614 -5.416 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.321 -7.377 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.165 -8.408 3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.790 -8.023 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.863 -6.700 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.967 -8.642 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.555 -8.301 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.132 -10.672 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.494 -10.071 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.043 -10.327 2.936 1.00 0.00 H new ATOM 1140 N THR A 71 12.352 -6.908 3.020 1.00 0.00 N ATOM 1141 CA THR A 71 13.235 -6.959 1.868 1.00 0.00 C ATOM 1142 C THR A 71 12.774 -8.015 0.869 1.00 0.00 C ATOM 1143 O THR A 71 12.314 -9.094 1.256 1.00 0.00 O ATOM 1144 CB THR A 71 14.693 -7.237 2.286 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.771 -8.453 3.041 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.250 -6.088 3.110 1.00 0.00 C ATOM 0 H THR A 71 12.586 -7.567 3.763 1.00 0.00 H new ATOM 0 HA THR A 71 13.194 -5.980 1.390 1.00 0.00 H new ATOM 0 HB THR A 71 15.289 -7.337 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.301 -9.112 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.279 -6.308 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.224 -5.171 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.647 -5.959 4.009 1.00 0.00 H new ATOM 1154 N CYS A 72 12.903 -7.691 -0.411 1.00 0.00 N ATOM 1155 CA CYS A 72 12.470 -8.554 -1.495 1.00 0.00 C ATOM 1156 C CYS A 72 12.837 -7.909 -2.829 1.00 0.00 C ATOM 1157 O CYS A 72 12.601 -6.714 -3.033 1.00 0.00 O ATOM 1158 CB CYS A 72 10.957 -8.788 -1.413 1.00 0.00 C ATOM 1159 SG CYS A 72 10.303 -9.932 -2.648 1.00 0.00 S ATOM 0 H CYS A 72 13.315 -6.813 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 72 12.970 -9.519 -1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.715 -9.169 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.448 -7.830 -1.520 1.00 0.00 H new ATOM 0 HG CYS A 72 9.019 -10.057 -2.487 1.00 0.00 H new ATOM 1165 N ASP A 73 13.428 -8.683 -3.730 1.00 0.00 N ATOM 1166 CA ASP A 73 13.834 -8.172 -5.043 1.00 0.00 C ATOM 1167 C ASP A 73 12.620 -7.978 -5.961 1.00 0.00 C ATOM 1168 O ASP A 73 12.561 -8.494 -7.075 1.00 0.00 O ATOM 1169 CB ASP A 73 14.863 -9.111 -5.685 1.00 0.00 C ATOM 1170 CG ASP A 73 15.398 -8.579 -7.005 1.00 0.00 C ATOM 1171 OD1 ASP A 73 15.912 -7.443 -7.029 1.00 0.00 O ATOM 1172 OD2 ASP A 73 15.306 -9.297 -8.022 1.00 0.00 O ATOM 0 H ASP A 73 13.639 -9.670 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 73 14.299 -7.196 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.693 -9.260 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.406 -10.087 -5.850 1.00 0.00 H new ATOM 1177 N HIS A 74 11.636 -7.245 -5.464 1.00 0.00 N ATOM 1178 CA HIS A 74 10.457 -6.893 -6.250 1.00 0.00 C ATOM 1179 C HIS A 74 10.166 -5.399 -6.138 1.00 0.00 C ATOM 1180 O HIS A 74 9.306 -4.871 -6.836 1.00 0.00 O ATOM 1181 CB HIS A 74 9.227 -7.693 -5.791 1.00 0.00 C ATOM 1182 CG HIS A 74 9.239 -9.141 -6.190 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.254 -9.719 -6.962 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.111 -10.137 -5.899 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.518 -11.003 -7.123 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.639 -11.280 -6.490 1.00 0.00 N ATOM 0 H HIS A 74 11.628 -6.878 -4.512 1.00 0.00 H new ATOM 0 HA HIS A 74 10.666 -7.142 -7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.153 -7.629 -4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.332 -7.224 -6.200 1.00 0.00 H new ATOM 0 HD1 HIS A 74 7.446 -9.231 -7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.012 -10.047 -5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.916 -11.707 -7.679 1.00 0.00 H new ATOM 1195 N TYR A 75 10.892 -4.719 -5.255 1.00 0.00 N ATOM 1196 CA TYR A 75 10.667 -3.299 -5.011 1.00 0.00 C ATOM 1197 C TYR A 75 11.778 -2.473 -5.650 1.00 0.00 C ATOM 1198 O TYR A 75 12.637 -1.910 -4.969 1.00 0.00 O ATOM 1199 CB TYR A 75 10.586 -3.028 -3.504 1.00 0.00 C ATOM 1200 CG TYR A 75 9.709 -4.023 -2.777 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.373 -4.174 -3.119 1.00 0.00 C ATOM 1202 CD2 TYR A 75 10.224 -4.830 -1.770 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.573 -5.099 -2.479 1.00 0.00 C ATOM 1204 CE2 TYR A 75 9.430 -5.762 -1.130 1.00 0.00 C ATOM 1205 CZ TYR A 75 8.105 -5.891 -1.488 1.00 0.00 C ATOM 1206 OH TYR A 75 7.312 -6.825 -0.865 1.00 0.00 O ATOM 0 H TYR A 75 11.641 -5.129 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 75 9.719 -3.008 -5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.590 -3.057 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.199 -2.022 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.952 -3.557 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.260 -4.727 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.534 -5.201 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.845 -6.387 -0.353 1.00 0.00 H new ATOM 0 HH TYR A 75 7.520 -7.716 -1.215 1.00 0.00 H new ATOM 1216 N GLN A 76 11.756 -2.412 -6.971 1.00 0.00 N ATOM 1217 CA GLN A 76 12.809 -1.775 -7.751 1.00 0.00 C ATOM 1218 C GLN A 76 12.675 -0.253 -7.760 1.00 0.00 C ATOM 1219 O GLN A 76 13.265 0.417 -8.603 1.00 0.00 O ATOM 1220 CB GLN A 76 12.767 -2.309 -9.179 1.00 0.00 C ATOM 1221 CG GLN A 76 11.431 -2.068 -9.870 1.00 0.00 C ATOM 1222 CD GLN A 76 11.333 -2.700 -11.248 1.00 0.00 C ATOM 1223 OE1 GLN A 76 12.453 -2.812 -11.947 1.00 0.00 O flip ATOM 1224 NE2 GLN A 76 10.247 -3.078 -11.684 1.00 0.00 N flip ATOM 0 H GLN A 76 11.004 -2.805 -7.537 1.00 0.00 H new ATOM 0 HA GLN A 76 13.766 -2.013 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.560 -1.837 -9.760 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.975 -3.379 -9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.631 -2.461 -9.242 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.267 -0.994 -9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.406 -2.975 -11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.187 -3.494 -12.613 1.00 0.00 H new ATOM 1233 N ASN A 77 11.925 0.279 -6.804 1.00 0.00 N ATOM 1234 CA ASN A 77 11.546 1.695 -6.786 1.00 0.00 C ATOM 1235 C ASN A 77 12.718 2.637 -6.446 1.00 0.00 C ATOM 1236 O ASN A 77 12.482 3.797 -6.110 1.00 0.00 O ATOM 1237 CB ASN A 77 10.416 1.894 -5.774 1.00 0.00 C ATOM 1238 CG ASN A 77 9.640 3.176 -6.002 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.243 3.848 -5.052 1.00 0.00 O ATOM 1240 ND2 ASN A 77 9.379 3.500 -7.260 1.00 0.00 N ATOM 0 H ASN A 77 11.559 -0.256 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 77 11.221 1.955 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.732 1.047 -5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.834 1.902 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.830 4.334 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.727 2.915 -8.020 1.00 0.00 H new ATOM 1247 N PHE A 78 13.961 2.119 -6.551 1.00 0.00 N ATOM 1248 CA PHE A 78 15.228 2.877 -6.362 1.00 0.00 C ATOM 1249 C PHE A 78 15.925 2.668 -4.993 1.00 0.00 C ATOM 1250 O PHE A 78 17.135 2.451 -4.986 1.00 0.00 O ATOM 1251 CB PHE A 78 15.077 4.378 -6.662 1.00 0.00 C ATOM 1252 CG PHE A 78 16.370 5.142 -6.604 1.00 0.00 C ATOM 1253 CD1 PHE A 78 17.312 5.009 -7.611 1.00 0.00 C ATOM 1254 CD2 PHE A 78 16.642 5.992 -5.543 1.00 0.00 C ATOM 1255 CE1 PHE A 78 18.501 5.709 -7.563 1.00 0.00 C ATOM 1256 CE2 PHE A 78 17.832 6.695 -5.491 1.00 0.00 C ATOM 1257 CZ PHE A 78 18.762 6.551 -6.502 1.00 0.00 C ATOM 0 H PHE A 78 14.121 1.137 -6.775 1.00 0.00 H new ATOM 0 HA PHE A 78 15.891 2.437 -7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.639 4.499 -7.653 1.00 0.00 H new ATOM 0 HB3 PHE A 78 14.377 4.813 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.114 4.350 -8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.918 6.106 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 78 19.226 5.597 -8.356 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.034 7.356 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 78 19.693 7.097 -6.462 1.00 0.00 H new ATOM 1267 N PRO A 79 15.230 2.757 -3.826 1.00 0.00 N ATOM 1268 CA PRO A 79 15.828 2.515 -2.482 1.00 0.00 C ATOM 1269 C PRO A 79 16.578 1.177 -2.289 1.00 0.00 C ATOM 1270 O PRO A 79 16.843 0.800 -1.152 1.00 0.00 O ATOM 1271 CB PRO A 79 14.629 2.567 -1.528 1.00 0.00 C ATOM 1272 CG PRO A 79 13.428 2.541 -2.401 1.00 0.00 C ATOM 1273 CD PRO A 79 13.840 3.190 -3.676 1.00 0.00 C ATOM 0 HA PRO A 79 16.605 3.260 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 79 14.635 1.719 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 79 14.652 3.470 -0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 79 13.092 1.519 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.598 3.076 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.223 2.865 -4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.758 4.276 -3.622 1.00 0.00 H new ATOM 1281 N LEU A 80 16.857 0.449 -3.374 1.00 0.00 N ATOM 1282 CA LEU A 80 17.683 -0.767 -3.325 1.00 0.00 C ATOM 1283 C LEU A 80 18.855 -0.580 -2.348 1.00 0.00 C ATOM 1284 O LEU A 80 19.699 0.301 -2.530 1.00 0.00 O ATOM 1285 CB LEU A 80 18.166 -1.101 -4.760 1.00 0.00 C ATOM 1286 CG LEU A 80 19.149 -2.271 -4.932 1.00 0.00 C ATOM 1287 CD1 LEU A 80 20.581 -1.831 -4.680 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.784 -3.425 -4.020 1.00 0.00 C ATOM 0 H LEU A 80 16.520 0.682 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 80 17.096 -1.607 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.287 -1.310 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.634 -0.207 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 80 19.075 -2.610 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.251 -2.681 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.850 -1.046 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.671 -1.450 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.495 -4.239 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.815 -3.093 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.780 -3.774 -4.259 1.00 0.00 H new ATOM 1300 N TYR A 81 18.877 -1.410 -1.306 1.00 0.00 N ATOM 1301 CA TYR A 81 19.815 -1.255 -0.200 1.00 0.00 C ATOM 1302 C TYR A 81 21.240 -1.619 -0.620 1.00 0.00 C ATOM 1303 O TYR A 81 21.510 -2.747 -1.039 1.00 0.00 O ATOM 1304 CB TYR A 81 19.368 -2.131 0.977 1.00 0.00 C ATOM 1305 CG TYR A 81 19.797 -1.617 2.335 1.00 0.00 C ATOM 1306 CD1 TYR A 81 21.059 -1.889 2.843 1.00 0.00 C ATOM 1307 CD2 TYR A 81 18.929 -0.859 3.112 1.00 0.00 C ATOM 1308 CE1 TYR A 81 21.448 -1.419 4.084 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.308 -0.385 4.353 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.568 -0.669 4.835 1.00 0.00 C ATOM 1311 OH TYR A 81 20.953 -0.193 6.070 1.00 0.00 O ATOM 0 H TYR A 81 18.247 -2.206 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 81 19.818 -0.208 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.281 -2.215 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.767 -3.136 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.750 -2.478 2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.940 -0.637 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 81 22.435 -1.638 4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.621 0.205 4.942 1.00 0.00 H new ATOM 0 HH TYR A 81 20.217 0.317 6.468 1.00 0.00 H new ATOM 1321 N LEU A 82 22.142 -0.656 -0.510 1.00 0.00 N ATOM 1322 CA LEU A 82 23.544 -0.876 -0.840 1.00 0.00 C ATOM 1323 C LEU A 82 24.297 -1.421 0.369 1.00 0.00 C ATOM 1324 O LEU A 82 23.720 -1.591 1.440 1.00 0.00 O ATOM 1325 CB LEU A 82 24.188 0.430 -1.311 1.00 0.00 C ATOM 1326 CG LEU A 82 23.588 1.032 -2.579 1.00 0.00 C ATOM 1327 CD1 LEU A 82 24.254 2.360 -2.900 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.730 0.070 -3.747 1.00 0.00 C ATOM 0 H LEU A 82 21.928 0.290 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 82 23.598 -1.608 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.112 1.164 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.250 0.252 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 82 22.526 1.208 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.816 2.777 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.103 3.053 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.322 2.204 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 82 23.296 0.517 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.786 -0.138 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 82 23.210 -0.860 -3.518 1.00 0.00 H new ATOM 1340 N GLY A 83 25.582 -1.692 0.199 1.00 0.00 N ATOM 1341 CA GLY A 83 26.369 -2.210 1.299 1.00 0.00 C ATOM 1342 C GLY A 83 27.527 -3.067 0.834 1.00 0.00 C ATOM 1343 O GLY A 83 28.637 -2.572 0.647 1.00 0.00 O ATOM 0 H GLY A 83 26.092 -1.564 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 83 26.752 -1.378 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 83 25.727 -2.798 1.955 1.00 0.00 H new ATOM 1347 N GLY A 84 27.267 -4.350 0.640 1.00 0.00 N ATOM 1348 CA GLY A 84 28.314 -5.263 0.237 1.00 0.00 C ATOM 1349 C GLY A 84 28.096 -5.814 -1.155 1.00 0.00 C ATOM 1350 O GLY A 84 28.068 -5.064 -2.131 1.00 0.00 O ATOM 0 H GLY A 84 26.347 -4.776 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 84 29.275 -4.749 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 84 28.366 -6.088 0.947 1.00 0.00 H new ATOM 1354 N GLU A 85 27.933 -7.126 -1.250 1.00 0.00 N ATOM 1355 CA GLU A 85 27.760 -7.782 -2.528 1.00 0.00 C ATOM 1356 C GLU A 85 26.288 -7.910 -2.889 1.00 0.00 C ATOM 1357 O GLU A 85 25.851 -7.419 -3.932 1.00 0.00 O ATOM 1358 CB GLU A 85 28.408 -9.158 -2.497 1.00 0.00 C ATOM 1359 CG GLU A 85 29.921 -9.112 -2.398 1.00 0.00 C ATOM 1360 CD GLU A 85 30.541 -8.227 -3.458 1.00 0.00 C ATOM 1361 OE1 GLU A 85 30.182 -8.363 -4.647 1.00 0.00 O ATOM 1362 OE2 GLU A 85 31.398 -7.391 -3.109 1.00 0.00 O ATOM 0 H GLU A 85 27.918 -7.756 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 85 28.243 -7.170 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 85 28.013 -9.718 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 85 28.127 -9.704 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 85 30.207 -8.748 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 85 30.320 -10.122 -2.493 1.00 0.00 H new ATOM 1369 N THR A 86 25.532 -8.574 -2.030 1.00 0.00 N ATOM 1370 CA THR A 86 24.119 -8.790 -2.270 1.00 0.00 C ATOM 1371 C THR A 86 23.304 -7.572 -1.860 1.00 0.00 C ATOM 1372 O THR A 86 23.326 -7.153 -0.701 1.00 0.00 O ATOM 1373 CB THR A 86 23.612 -10.030 -1.507 1.00 0.00 C ATOM 1374 OG1 THR A 86 24.165 -10.049 -0.185 1.00 0.00 O ATOM 1375 CG2 THR A 86 23.980 -11.315 -2.233 1.00 0.00 C ATOM 0 H THR A 86 25.877 -8.973 -1.157 1.00 0.00 H new ATOM 0 HA THR A 86 23.992 -8.957 -3.340 1.00 0.00 H new ATOM 0 HB THR A 86 22.525 -9.969 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 86 24.131 -9.147 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 86 23.608 -12.171 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 86 23.532 -11.313 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 86 25.064 -11.384 -2.324 1.00 0.00 H new ATOM 1383 N HIS A 87 22.613 -6.983 -2.819 1.00 0.00 N ATOM 1384 CA HIS A 87 21.732 -5.866 -2.536 1.00 0.00 C ATOM 1385 C HIS A 87 20.292 -6.313 -2.703 1.00 0.00 C ATOM 1386 O HIS A 87 19.955 -6.992 -3.674 1.00 0.00 O ATOM 1387 CB HIS A 87 22.022 -4.670 -3.451 1.00 0.00 C ATOM 1388 CG HIS A 87 23.470 -4.288 -3.507 1.00 0.00 C ATOM 1389 ND1 HIS A 87 24.150 -3.765 -2.430 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.367 -4.362 -4.516 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.403 -3.533 -2.775 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.560 -3.889 -4.036 1.00 0.00 N ATOM 0 H HIS A 87 22.645 -7.260 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 87 21.906 -5.542 -1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.678 -4.904 -4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.443 -3.813 -3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.178 -4.726 -5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.169 -3.122 -2.134 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.428 -3.823 -4.567 1.00 0.00 H new ATOM 1401 N GLU A 88 19.447 -5.946 -1.760 1.00 0.00 N ATOM 1402 CA GLU A 88 18.065 -6.365 -1.794 1.00 0.00 C ATOM 1403 C GLU A 88 17.158 -5.162 -1.620 1.00 0.00 C ATOM 1404 O GLU A 88 17.445 -4.254 -0.839 1.00 0.00 O ATOM 1405 CB GLU A 88 17.800 -7.427 -0.723 1.00 0.00 C ATOM 1406 CG GLU A 88 16.435 -8.083 -0.837 1.00 0.00 C ATOM 1407 CD GLU A 88 16.394 -9.448 -0.185 1.00 0.00 C ATOM 1408 OE1 GLU A 88 16.224 -9.525 1.047 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.532 -10.457 -0.908 1.00 0.00 O ATOM 0 H GLU A 88 19.695 -5.360 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 88 17.850 -6.816 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.569 -8.196 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.891 -6.968 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.686 -7.440 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.167 -8.178 -1.889 1.00 0.00 H new ATOM 1416 N HIS A 89 16.089 -5.144 -2.389 1.00 0.00 N ATOM 1417 CA HIS A 89 15.146 -4.039 -2.369 1.00 0.00 C ATOM 1418 C HIS A 89 14.245 -4.189 -1.153 1.00 0.00 C ATOM 1419 O HIS A 89 13.884 -5.304 -0.799 1.00 0.00 O ATOM 1420 CB HIS A 89 14.312 -4.038 -3.653 1.00 0.00 C ATOM 1421 CG HIS A 89 15.127 -3.954 -4.911 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.151 -2.841 -5.724 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.942 -4.859 -5.495 1.00 0.00 C ATOM 1424 CE1 HIS A 89 15.950 -3.069 -6.755 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.439 -4.285 -6.635 1.00 0.00 N ATOM 0 H HIS A 89 15.848 -5.889 -3.043 1.00 0.00 H new ATOM 0 HA HIS A 89 15.684 -3.093 -2.311 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.709 -4.946 -3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.620 -3.196 -3.624 1.00 0.00 H new ATOM 0 HD1 HIS A 89 14.634 -1.977 -5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.161 -5.852 -5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.164 -2.377 -7.556 1.00 0.00 H new ATOM 1434 N TYR A 90 13.890 -3.096 -0.503 1.00 0.00 N ATOM 1435 CA TYR A 90 13.088 -3.194 0.707 1.00 0.00 C ATOM 1436 C TYR A 90 11.893 -2.254 0.657 1.00 0.00 C ATOM 1437 O TYR A 90 11.888 -1.275 -0.087 1.00 0.00 O ATOM 1438 CB TYR A 90 13.942 -2.903 1.950 1.00 0.00 C ATOM 1439 CG TYR A 90 14.319 -1.445 2.127 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.355 -0.875 1.394 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.637 -0.639 3.030 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.696 0.454 1.562 1.00 0.00 C ATOM 1443 CE2 TYR A 90 13.976 0.689 3.200 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.005 1.230 2.462 1.00 0.00 C ATOM 1445 OH TYR A 90 15.348 2.552 2.632 1.00 0.00 O ATOM 0 H TYR A 90 14.137 -2.147 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 90 12.712 -4.215 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.398 -3.234 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.854 -3.497 1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.900 -1.479 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.828 -1.058 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.504 0.882 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.437 1.300 3.908 1.00 0.00 H new ATOM 0 HH TYR A 90 14.761 2.958 3.303 1.00 0.00 H new ATOM 1455 N GLY A 91 10.882 -2.585 1.443 1.00 0.00 N ATOM 1456 CA GLY A 91 9.721 -1.735 1.590 1.00 0.00 C ATOM 1457 C GLY A 91 9.242 -1.724 3.026 1.00 0.00 C ATOM 1458 O GLY A 91 9.784 -2.451 3.861 1.00 0.00 O ATOM 0 H GLY A 91 10.846 -3.444 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.965 -0.720 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.922 -2.087 0.938 1.00 0.00 H new ATOM 1462 N ILE A 92 8.236 -0.914 3.323 1.00 0.00 N ATOM 1463 CA ILE A 92 7.737 -0.795 4.689 1.00 0.00 C ATOM 1464 C ILE A 92 6.340 -1.404 4.820 1.00 0.00 C ATOM 1465 O ILE A 92 5.385 -0.927 4.198 1.00 0.00 O ATOM 1466 CB ILE A 92 7.705 0.680 5.145 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.091 1.311 4.975 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.240 0.780 6.595 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.135 2.789 5.295 1.00 0.00 C ATOM 0 H ILE A 92 7.750 -0.331 2.641 1.00 0.00 H new ATOM 0 HA ILE A 92 8.423 -1.346 5.332 1.00 0.00 H new ATOM 0 HB ILE A 92 6.996 1.226 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.799 0.789 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.424 1.162 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.223 1.826 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.239 0.359 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.926 0.226 7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.149 3.162 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.454 3.325 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.834 2.946 6.331 1.00 0.00 H new ATOM 1481 N PRO A 93 6.211 -2.473 5.626 1.00 0.00 N ATOM 1482 CA PRO A 93 4.933 -3.151 5.867 1.00 0.00 C ATOM 1483 C PRO A 93 4.032 -2.395 6.847 1.00 0.00 C ATOM 1484 O PRO A 93 4.513 -1.648 7.699 1.00 0.00 O ATOM 1485 CB PRO A 93 5.355 -4.491 6.469 1.00 0.00 C ATOM 1486 CG PRO A 93 6.660 -4.219 7.133 1.00 0.00 C ATOM 1487 CD PRO A 93 7.323 -3.117 6.350 1.00 0.00 C ATOM 0 HA PRO A 93 4.345 -3.234 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.616 -4.853 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.455 -5.256 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.511 -3.921 8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.282 -5.114 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.833 -2.412 7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.072 -3.511 5.663 1.00 0.00 H new ATOM 1495 N HIS A 94 2.724 -2.598 6.720 1.00 0.00 N ATOM 1496 CA HIS A 94 1.740 -1.911 7.560 1.00 0.00 C ATOM 1497 C HIS A 94 0.600 -2.858 7.917 1.00 0.00 C ATOM 1498 O HIS A 94 0.801 -4.067 7.981 1.00 0.00 O ATOM 1499 CB HIS A 94 1.185 -0.692 6.816 1.00 0.00 C ATOM 1500 CG HIS A 94 2.200 0.372 6.570 1.00 0.00 C ATOM 1501 ND1 HIS A 94 2.999 0.405 5.454 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.544 1.445 7.314 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.794 1.452 5.523 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.539 2.105 6.641 1.00 0.00 N ATOM 0 H HIS A 94 2.316 -3.238 6.038 1.00 0.00 H new ATOM 0 HA HIS A 94 2.228 -1.583 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.773 -1.017 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.361 -0.270 7.391 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.980 -0.274 4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.115 1.730 8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.533 1.731 4.786 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.576 -2.293 8.182 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.783 -3.078 8.319 1.00 0.00 C ATOM 1515 C GLY A 95 -2.984 -2.186 8.538 1.00 0.00 C ATOM 1516 O GLY A 95 -2.837 -1.048 8.988 1.00 0.00 O ATOM 0 H GLY A 95 -0.710 -1.289 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.932 -3.682 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.680 -3.768 9.156 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.167 -2.695 8.215 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.396 -1.911 8.289 1.00 0.00 C ATOM 1522 C PHE A 96 -6.557 -2.801 8.702 1.00 0.00 C ATOM 1523 O PHE A 96 -6.655 -3.941 8.250 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.708 -1.262 6.933 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.595 -0.405 6.404 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.478 0.919 6.788 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -3.658 -0.934 5.531 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.445 1.701 6.312 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -2.625 -0.156 5.053 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.517 1.163 5.444 1.00 0.00 C ATOM 0 H PHE A 96 -4.302 -3.655 7.897 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.256 -1.126 9.032 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.928 -2.045 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.608 -0.655 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.202 1.345 7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.738 -1.966 5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.363 2.733 6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.901 -0.579 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 96 -1.708 1.773 5.071 1.00 0.00 H new ATOM 1540 N SER A 97 -7.426 -2.291 9.558 1.00 0.00 N ATOM 1541 CA SER A 97 -8.577 -3.058 10.012 1.00 0.00 C ATOM 1542 C SER A 97 -9.753 -2.929 9.039 1.00 0.00 C ATOM 1543 O SER A 97 -10.429 -3.914 8.735 1.00 0.00 O ATOM 1544 CB SER A 97 -8.999 -2.601 11.405 1.00 0.00 C ATOM 1545 OG SER A 97 -7.873 -2.457 12.254 1.00 0.00 O ATOM 0 H SER A 97 -7.358 -1.353 9.952 1.00 0.00 H new ATOM 0 HA SER A 97 -8.285 -4.107 10.051 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.530 -1.652 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.693 -3.324 11.834 1.00 0.00 H new ATOM 0 HG SER A 97 -8.168 -2.162 13.141 1.00 0.00 H new ATOM 1551 N SER A 98 -9.992 -1.716 8.548 1.00 0.00 N ATOM 1552 CA SER A 98 -11.137 -1.458 7.686 1.00 0.00 C ATOM 1553 C SER A 98 -10.722 -0.742 6.403 1.00 0.00 C ATOM 1554 O SER A 98 -9.661 -0.113 6.340 1.00 0.00 O ATOM 1555 CB SER A 98 -12.185 -0.634 8.439 1.00 0.00 C ATOM 1556 OG SER A 98 -11.619 0.547 8.979 1.00 0.00 O ATOM 0 H SER A 98 -9.409 -0.900 8.733 1.00 0.00 H new ATOM 0 HA SER A 98 -11.569 -2.418 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.000 -0.374 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.615 -1.234 9.241 1.00 0.00 H new ATOM 0 HG SER A 98 -12.311 1.054 9.453 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.567 -0.857 5.383 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.317 -0.246 4.083 1.00 0.00 C ATOM 1564 C ARG A 99 -11.209 1.269 4.205 1.00 0.00 C ATOM 1565 O ARG A 99 -10.236 1.871 3.757 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.442 -0.594 3.112 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.726 -2.082 2.996 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.819 -2.349 1.977 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.379 -2.058 0.614 1.00 0.00 N ATOM 1570 CZ ARG A 99 -13.788 -1.015 -0.103 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.616 -0.118 0.422 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -13.354 -0.861 -1.345 1.00 0.00 N ATOM 0 H ARG A 99 -12.444 -1.376 5.435 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.373 -0.637 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.352 -0.086 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.189 -0.206 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.817 -2.608 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.025 -2.476 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.129 -3.392 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.692 -1.741 2.214 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.713 -2.699 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.943 -0.226 1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.925 0.679 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.709 -1.541 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.665 -0.063 -1.899 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.220 1.872 4.826 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.279 3.321 4.980 1.00 0.00 C ATOM 1588 C ILE A 100 -11.076 3.845 5.771 1.00 0.00 C ATOM 1589 O ILE A 100 -10.627 4.969 5.554 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.595 3.754 5.667 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.702 5.281 5.752 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.699 3.139 7.049 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.761 5.964 4.401 1.00 0.00 C ATOM 0 H ILE A 100 -13.013 1.375 5.232 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.249 3.755 3.981 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.424 3.393 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.594 5.543 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.846 5.666 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.631 3.454 7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.684 2.052 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.857 3.468 7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.836 7.042 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.857 5.733 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.632 5.608 3.851 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.547 3.027 6.681 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.344 3.392 7.416 1.00 0.00 C ATOM 1607 C ALA A 101 -8.192 3.594 6.444 1.00 0.00 C ATOM 1608 O ALA A 101 -7.535 4.635 6.451 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.996 2.328 8.447 1.00 0.00 C ATOM 0 H ALA A 101 -10.932 2.114 6.923 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.527 4.325 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.094 2.622 8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.820 2.222 9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.825 1.376 7.944 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.985 2.602 5.584 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.979 2.691 4.533 1.00 0.00 C ATOM 1617 C LEU A 102 -7.247 3.900 3.644 1.00 0.00 C ATOM 1618 O LEU A 102 -6.338 4.673 3.345 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.977 1.406 3.694 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.113 1.441 2.430 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.653 1.675 2.776 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.270 0.152 1.641 1.00 0.00 C ATOM 0 H LEU A 102 -8.503 1.724 5.595 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.000 2.810 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.636 0.584 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.003 1.181 3.404 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.453 2.272 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.061 1.696 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.550 2.627 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.298 0.870 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.649 0.195 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.960 -0.692 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.314 0.027 1.352 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.508 4.070 3.259 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.917 5.166 2.389 1.00 0.00 C ATOM 1636 C GLU A 103 -8.567 6.522 3.014 1.00 0.00 C ATOM 1637 O GLU A 103 -8.097 7.434 2.330 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.422 5.078 2.117 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.820 5.618 0.752 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.257 5.303 0.389 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.171 5.904 0.990 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -12.482 4.450 -0.501 1.00 0.00 O ATOM 0 H GLU A 103 -9.271 3.455 3.540 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.377 5.080 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.738 4.038 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.957 5.632 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.676 6.698 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.159 5.198 -0.006 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.785 6.636 4.322 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.452 7.851 5.059 1.00 0.00 C ATOM 1651 C ARG A 104 -6.943 8.070 5.106 1.00 0.00 C ATOM 1652 O ARG A 104 -6.460 9.186 4.915 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.986 7.781 6.491 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.496 7.893 6.608 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.941 7.712 8.052 1.00 0.00 C ATOM 1656 NE ARG A 104 -10.186 8.575 8.960 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.149 8.424 10.281 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.832 7.451 10.869 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -9.418 9.246 11.014 1.00 0.00 N ATOM 0 H ARG A 104 -9.193 5.897 4.895 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.919 8.685 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.669 6.839 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.529 8.580 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.822 8.866 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.971 7.140 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.004 7.936 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.810 6.671 8.346 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.653 9.343 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.392 6.810 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.797 7.344 11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.886 9.992 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.386 9.134 12.027 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.204 7.005 5.371 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.763 7.100 5.487 1.00 0.00 C ATOM 1675 C TYR A 105 -4.130 7.406 4.133 1.00 0.00 C ATOM 1676 O TYR A 105 -3.147 8.137 4.060 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.199 5.820 6.100 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.666 5.591 7.527 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.827 6.659 8.405 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -4.950 4.316 7.994 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.257 6.461 9.703 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.380 4.110 9.292 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.532 5.185 10.141 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.961 4.983 11.434 1.00 0.00 O ATOM 0 H TYR A 105 -6.580 6.067 5.509 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.516 7.927 6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.494 4.969 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.110 5.864 6.082 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.612 7.661 8.065 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.833 3.470 7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.377 7.302 10.370 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.596 3.110 9.639 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.112 4.026 11.583 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.704 6.864 3.062 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.288 7.224 1.710 1.00 0.00 C ATOM 1696 C LEU A 106 -4.498 8.718 1.486 1.00 0.00 C ATOM 1697 O LEU A 106 -3.644 9.405 0.926 1.00 0.00 O ATOM 1698 CB LEU A 106 -5.077 6.431 0.662 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.894 4.912 0.704 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.778 4.243 -0.336 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.435 4.536 0.481 1.00 0.00 C ATOM 0 H LEU A 106 -5.456 6.176 3.104 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.231 6.981 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.137 6.655 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.790 6.786 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.190 4.560 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.636 3.163 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.822 4.480 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.510 4.605 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.329 3.452 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.110 4.902 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.820 4.985 1.261 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.643 9.204 1.951 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.997 10.618 1.858 1.00 0.00 C ATOM 1715 C ASN A 107 -4.963 11.497 2.554 1.00 0.00 C ATOM 1716 O ASN A 107 -4.518 12.500 1.998 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.377 10.850 2.488 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.494 10.959 1.472 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.880 12.060 1.074 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -9.025 9.822 1.045 1.00 0.00 N ATOM 0 H ASN A 107 -6.354 8.629 2.404 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.021 10.891 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.598 10.031 3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.347 11.763 3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.782 9.838 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.676 8.931 1.400 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.578 11.108 3.761 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.657 11.912 4.542 1.00 0.00 C ATOM 1729 C GLY A 108 -2.206 11.742 4.124 1.00 0.00 C ATOM 1730 O GLY A 108 -1.458 12.714 4.058 1.00 0.00 O ATOM 0 H GLY A 108 -4.887 10.249 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.934 12.962 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.758 11.648 5.595 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.814 10.509 3.840 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.420 10.193 3.543 1.00 0.00 C ATOM 1736 C LEU A 109 -0.049 10.545 2.105 1.00 0.00 C ATOM 1737 O LEU A 109 0.978 11.175 1.863 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.162 8.705 3.817 1.00 0.00 C ATOM 1739 CG LEU A 109 1.212 8.164 3.411 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.330 8.988 4.020 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.347 6.723 3.854 1.00 0.00 C ATOM 0 H LEU A 109 -2.442 9.706 3.808 1.00 0.00 H new ATOM 0 HA LEU A 109 0.211 10.799 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.298 8.526 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.924 8.125 3.297 1.00 0.00 H new ATOM 0 HG LEU A 109 1.292 8.227 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.292 8.579 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.249 10.020 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.253 8.959 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.326 6.343 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.243 6.664 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.570 6.123 3.381 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.886 10.149 1.159 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.563 10.327 -0.250 1.00 0.00 C ATOM 1755 C PHE A 110 -1.264 11.547 -0.834 1.00 0.00 C ATOM 1756 O PHE A 110 -0.916 12.005 -1.922 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.923 9.066 -1.036 1.00 0.00 C ATOM 1758 CG PHE A 110 -0.175 7.854 -0.557 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.165 7.691 -0.863 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.805 6.890 0.209 1.00 0.00 C ATOM 1761 CE1 PHE A 110 1.864 6.590 -0.411 1.00 0.00 C ATOM 1762 CE2 PHE A 110 -0.114 5.784 0.662 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.223 5.636 0.352 1.00 0.00 C ATOM 0 H PHE A 110 -1.787 9.706 1.338 1.00 0.00 H new ATOM 0 HA PHE A 110 0.510 10.498 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.994 8.884 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.708 9.227 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.670 8.434 -1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.850 7.004 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 110 2.910 6.476 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.618 5.037 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.767 4.773 0.707 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.265 12.055 -0.121 1.00 0.00 N ATOM 1774 CA GLY A 111 -2.900 13.297 -0.518 1.00 0.00 C ATOM 1775 C GLY A 111 -3.886 13.116 -1.650 1.00 0.00 C ATOM 1776 O GLY A 111 -3.511 13.100 -2.816 1.00 0.00 O ATOM 0 H GLY A 111 -2.647 11.629 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.415 13.727 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.134 14.011 -0.820 1.00 0.00 H new ATOM 1780 N ASP A 112 -5.157 12.982 -1.308 1.00 0.00 N ATOM 1781 CA ASP A 112 -6.209 12.818 -2.312 1.00 0.00 C ATOM 1782 C ASP A 112 -6.459 14.121 -3.039 1.00 0.00 C ATOM 1783 O ASP A 112 -6.965 14.156 -4.157 1.00 0.00 O ATOM 1784 CB ASP A 112 -7.477 12.310 -1.630 1.00 0.00 C ATOM 1785 CG ASP A 112 -8.695 12.281 -2.529 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -8.843 11.324 -3.315 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -9.533 13.200 -2.416 1.00 0.00 O ATOM 0 H ASP A 112 -5.491 12.983 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.893 12.087 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.295 11.304 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.690 12.942 -0.768 1.00 0.00 H new TER 1792 ASP A 112