USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 GLN : amide:sc= -0.753 K(o=-1.5,f=-4.5) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 171:sc= -0.75 (180deg=-0.0428) USER MOD Set 2.1: A 66 LYS NZ :NH3+ 171:sc= 0.0724 (180deg=-0.234) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.366 K(o=-0.29,f=-6.5!) USER MOD Set 3.1: A 1 MET CE :methyl 178:sc=-0.00698 (180deg=0) USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 30 CYS SG : rot 170:sc= -1.66 USER MOD Set 4.2: A 33 CYS SG : rot 90:sc= -3.98 USER MOD Set 5.1: A 17 GLN : amide:sc= -1.83 K(o=-1.9,f=-8.4!) USER MOD Set 5.2: A 80 ASN : amide:sc= -0.103 K(o=-1.9,f=-3.7) USER MOD Set 6.1: A 4 GLN : amide:sc= -3.78! K(o=-9.1!,f=-8.5) USER MOD Set 6.2: A 54 LYS NZ :NH3+ 174:sc= -5.27! (180deg=-6.25!) USER MOD Set 7.1: A 1 MET N :NH3+ -113:sc= 0.0397 (180deg=-0.00589) USER MOD Set 7.2: A 44 SER OG : rot -28:sc= 0.545 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0642 (180deg=-0.368) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= -0.995! (180deg=-3.55!) USER MOD Single : A 26 TYR OH : rot -26:sc= -1.65 USER MOD Single : A 28 THR OG1 : rot -170:sc= -1.63! USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= -0.0103 (180deg=-0.187) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 172:sc= -4.48! (180deg=-4.72!) USER MOD Single : A 42 LYS NZ :NH3+ 136:sc= -2.59! (180deg=-5.42!) USER MOD Single : A 47 TYR OH : rot -116:sc= -0.772 USER MOD Single : A 49 GLN : amide:sc= -2.15! C(o=-2.2!,f=-2.8!) USER MOD Single : A 65 GLN : amide:sc= -1.18 K(o=-1.2,f=-6.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -114:sc= -6.95 (180deg=-13.8!) USER MOD Single : A 74 THR OG1 : rot 110:sc= -1.33 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.25) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= -0.0463 (180deg=-0.347) USER MOD Single : A 91 ASN : amide:sc= -2.71 K(o=-2.7,f=-6.4!) USER MOD Single : A 97 GLN : amide:sc= -3.74! C(o=-3.7!,f=-11!) USER MOD Single : A 102 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.257 12.181 5.164 1.00 0.00 N ATOM 2 CA MET A 1 -1.338 11.784 4.224 1.00 0.00 C ATOM 3 C MET A 1 -1.573 10.279 4.260 1.00 0.00 C ATOM 4 O MET A 1 -0.677 9.508 4.603 1.00 0.00 O ATOM 5 CB MET A 1 -0.941 12.227 2.814 1.00 0.00 C ATOM 6 CG MET A 1 -1.945 11.831 1.741 1.00 0.00 C ATOM 7 SD MET A 1 -1.458 12.387 0.098 1.00 0.00 S ATOM 8 CE MET A 1 -2.816 11.764 -0.887 1.00 0.00 C ATOM 0 H1 MET A 1 -0.660 12.751 5.935 1.00 0.00 H new ATOM 0 H2 MET A 1 0.189 11.329 5.560 1.00 0.00 H new ATOM 0 H3 MET A 1 0.457 12.741 4.656 1.00 0.00 H new ATOM 0 HA MET A 1 -2.269 12.266 4.521 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.821 13.310 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.029 11.796 2.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.057 10.747 1.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.920 12.251 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.677 12.060 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.845 10.676 -0.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.754 12.176 -0.515 1.00 0.00 H new ATOM 20 N VAL A 2 -2.786 9.865 3.904 1.00 0.00 N ATOM 21 CA VAL A 2 -3.138 8.452 3.897 1.00 0.00 C ATOM 22 C VAL A 2 -4.565 8.254 3.386 1.00 0.00 C ATOM 23 O VAL A 2 -5.502 8.883 3.880 1.00 0.00 O ATOM 24 CB VAL A 2 -3.009 7.846 5.313 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.166 8.285 6.199 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.915 6.330 5.249 1.00 0.00 C ATOM 0 H VAL A 2 -3.540 10.489 3.617 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.445 7.941 3.229 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.086 8.220 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.052 7.846 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.169 9.372 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.107 7.952 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.825 5.928 6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.812 5.929 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.040 6.044 4.665 1.00 0.00 H new ATOM 36 N THR A 3 -4.729 7.384 2.395 1.00 0.00 N ATOM 37 CA THR A 3 -6.048 7.119 1.830 1.00 0.00 C ATOM 38 C THR A 3 -6.144 5.691 1.298 1.00 0.00 C ATOM 39 O THR A 3 -5.130 5.038 1.062 1.00 0.00 O ATOM 40 CB THR A 3 -6.355 8.119 0.713 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.329 9.446 1.208 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.705 7.900 0.061 1.00 0.00 C ATOM 0 H THR A 3 -3.970 6.853 1.968 1.00 0.00 H new ATOM 0 HA THR A 3 -6.785 7.234 2.625 1.00 0.00 H new ATOM 0 HB THR A 3 -5.579 7.959 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.526 10.071 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.856 8.644 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.741 6.902 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.491 7.996 0.810 1.00 0.00 H new ATOM 50 N GLN A 4 -7.373 5.220 1.106 1.00 0.00 N ATOM 51 CA GLN A 4 -7.615 3.872 0.594 1.00 0.00 C ATOM 52 C GLN A 4 -8.062 3.943 -0.864 1.00 0.00 C ATOM 53 O GLN A 4 -8.066 5.017 -1.466 1.00 0.00 O ATOM 54 CB GLN A 4 -8.697 3.165 1.417 1.00 0.00 C ATOM 55 CG GLN A 4 -8.460 3.207 2.922 1.00 0.00 C ATOM 56 CD GLN A 4 -8.796 4.544 3.574 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.396 4.797 4.711 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.557 5.395 2.889 1.00 0.00 N ATOM 0 H GLN A 4 -8.221 5.754 1.298 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.686 3.307 0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.662 3.623 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.759 2.124 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.057 2.426 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.414 2.972 3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.872 5.155 1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.825 6.287 3.304 1.00 0.00 H new ATOM 67 N PHE A 5 -8.451 2.803 -1.428 1.00 0.00 N ATOM 68 CA PHE A 5 -8.912 2.767 -2.813 1.00 0.00 C ATOM 69 C PHE A 5 -10.170 1.917 -2.967 1.00 0.00 C ATOM 70 O PHE A 5 -10.107 0.690 -2.938 1.00 0.00 O ATOM 71 CB PHE A 5 -7.820 2.234 -3.742 1.00 0.00 C ATOM 72 CG PHE A 5 -6.624 3.134 -3.861 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.773 4.514 -3.894 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.350 2.599 -3.969 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.676 5.341 -4.033 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.249 3.424 -4.104 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.412 4.794 -4.138 1.00 0.00 C ATOM 0 H PHE A 5 -8.457 1.900 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.151 3.793 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.493 1.259 -3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.245 2.079 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.759 4.946 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.216 1.528 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.806 6.413 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.261 2.996 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.552 5.438 -4.247 1.00 0.00 H new ATOM 87 N LYS A 6 -11.310 2.580 -3.152 1.00 0.00 N ATOM 88 CA LYS A 6 -12.583 1.887 -3.334 1.00 0.00 C ATOM 89 C LYS A 6 -12.827 1.583 -4.808 1.00 0.00 C ATOM 90 O LYS A 6 -13.510 0.618 -5.147 1.00 0.00 O ATOM 91 CB LYS A 6 -13.738 2.728 -2.784 1.00 0.00 C ATOM 92 CG LYS A 6 -13.932 2.598 -1.282 1.00 0.00 C ATOM 93 CD LYS A 6 -14.437 1.212 -0.906 1.00 0.00 C ATOM 94 CE LYS A 6 -15.831 0.956 -1.457 1.00 0.00 C ATOM 95 NZ LYS A 6 -16.817 1.953 -0.956 1.00 0.00 N ATOM 0 H LYS A 6 -11.378 3.597 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.534 0.947 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.561 3.775 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.660 2.435 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.988 2.794 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.641 3.351 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.750 0.457 -1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.450 1.111 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.803 0.989 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.154 -0.047 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.781 1.594 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.663 2.113 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.696 2.849 -1.470 1.00 0.00 H new ATOM 109 N THR A 7 -12.261 2.406 -5.685 1.00 0.00 N ATOM 110 CA THR A 7 -12.417 2.216 -7.123 1.00 0.00 C ATOM 111 C THR A 7 -11.059 2.167 -7.810 1.00 0.00 C ATOM 112 O THR A 7 -10.220 3.046 -7.616 1.00 0.00 O ATOM 113 CB THR A 7 -13.268 3.338 -7.718 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.674 4.601 -7.479 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.676 3.380 -7.163 1.00 0.00 C ATOM 0 H THR A 7 -11.690 3.211 -5.425 1.00 0.00 H new ATOM 0 HA THR A 7 -12.923 1.265 -7.289 1.00 0.00 H new ATOM 0 HB THR A 7 -13.321 3.124 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.233 5.305 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.226 4.199 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.180 2.437 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.638 3.534 -6.085 1.00 0.00 H new ATOM 123 N ALA A 8 -10.844 1.128 -8.612 1.00 0.00 N ATOM 124 CA ALA A 8 -9.583 0.960 -9.325 1.00 0.00 C ATOM 125 C ALA A 8 -9.247 2.190 -10.158 1.00 0.00 C ATOM 126 O ALA A 8 -8.081 2.447 -10.458 1.00 0.00 O ATOM 127 CB ALA A 8 -9.630 -0.284 -10.201 1.00 0.00 C ATOM 0 H ALA A 8 -11.527 0.390 -8.784 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.793 0.837 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.681 -0.395 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.805 -1.161 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.438 -0.188 -10.927 1.00 0.00 H new ATOM 133 N SER A 9 -10.269 2.955 -10.520 1.00 0.00 N ATOM 134 CA SER A 9 -10.068 4.164 -11.306 1.00 0.00 C ATOM 135 C SER A 9 -9.213 5.170 -10.537 1.00 0.00 C ATOM 136 O SER A 9 -8.675 6.113 -11.118 1.00 0.00 O ATOM 137 CB SER A 9 -11.414 4.793 -11.670 1.00 0.00 C ATOM 138 OG SER A 9 -11.236 5.973 -12.436 1.00 0.00 O ATOM 0 H SER A 9 -11.242 2.760 -10.283 1.00 0.00 H new ATOM 0 HA SER A 9 -9.546 3.891 -12.223 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.013 4.077 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.968 5.026 -10.761 1.00 0.00 H new ATOM 0 HG SER A 9 -12.111 6.355 -12.657 1.00 0.00 H new ATOM 144 N GLU A 10 -9.090 4.965 -9.226 1.00 0.00 N ATOM 145 CA GLU A 10 -8.304 5.850 -8.382 1.00 0.00 C ATOM 146 C GLU A 10 -6.860 5.383 -8.294 1.00 0.00 C ATOM 147 O GLU A 10 -5.929 6.124 -8.609 1.00 0.00 O ATOM 148 CB GLU A 10 -8.917 5.936 -6.983 1.00 0.00 C ATOM 149 CG GLU A 10 -10.303 6.557 -6.965 1.00 0.00 C ATOM 150 CD GLU A 10 -10.901 6.608 -5.572 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.070 5.534 -4.958 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.201 7.723 -5.095 1.00 0.00 O ATOM 0 H GLU A 10 -9.528 4.190 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.314 6.842 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.971 4.934 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.257 6.520 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.250 7.567 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.962 5.985 -7.619 1.00 0.00 H new ATOM 159 N PHE A 11 -6.691 4.149 -7.858 1.00 0.00 N ATOM 160 CA PHE A 11 -5.365 3.555 -7.716 1.00 0.00 C ATOM 161 C PHE A 11 -4.646 3.511 -9.063 1.00 0.00 C ATOM 162 O PHE A 11 -3.424 3.641 -9.132 1.00 0.00 O ATOM 163 CB PHE A 11 -5.483 2.139 -7.141 1.00 0.00 C ATOM 164 CG PHE A 11 -4.171 1.531 -6.719 1.00 0.00 C ATOM 165 CD1 PHE A 11 -2.992 2.263 -6.757 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.122 0.219 -6.274 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.796 1.699 -6.364 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.927 -0.350 -5.879 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.762 0.390 -5.926 1.00 0.00 C ATOM 0 H PHE A 11 -7.458 3.531 -7.593 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.783 4.173 -7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.152 2.163 -6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.946 1.494 -7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.011 3.287 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.029 -0.365 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.887 2.281 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.904 -1.373 -5.534 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.826 -0.054 -5.621 1.00 0.00 H new ATOM 179 N ASP A 12 -5.416 3.328 -10.132 1.00 0.00 N ATOM 180 CA ASP A 12 -4.856 3.265 -11.479 1.00 0.00 C ATOM 181 C ASP A 12 -3.951 4.463 -11.759 1.00 0.00 C ATOM 182 O ASP A 12 -2.780 4.303 -12.100 1.00 0.00 O ATOM 183 CB ASP A 12 -5.981 3.206 -12.517 1.00 0.00 C ATOM 184 CG ASP A 12 -5.457 3.106 -13.938 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.221 3.081 -14.117 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.285 3.055 -14.872 1.00 0.00 O ATOM 0 H ASP A 12 -6.430 3.221 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.253 2.360 -11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.619 2.348 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.603 4.096 -12.425 1.00 0.00 H new ATOM 191 N SER A 13 -4.504 5.663 -11.614 1.00 0.00 N ATOM 192 CA SER A 13 -3.748 6.888 -11.854 1.00 0.00 C ATOM 193 C SER A 13 -2.626 7.051 -10.831 1.00 0.00 C ATOM 194 O SER A 13 -1.625 7.715 -11.097 1.00 0.00 O ATOM 195 CB SER A 13 -4.678 8.103 -11.805 1.00 0.00 C ATOM 196 OG SER A 13 -5.691 8.008 -12.790 1.00 0.00 O ATOM 0 H SER A 13 -5.472 5.814 -11.332 1.00 0.00 H new ATOM 0 HA SER A 13 -3.301 6.818 -12.846 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.133 8.178 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.100 9.014 -11.960 1.00 0.00 H new ATOM 0 HG SER A 13 -6.273 8.795 -12.738 1.00 0.00 H new ATOM 202 N ALA A 14 -2.800 6.445 -9.660 1.00 0.00 N ATOM 203 CA ALA A 14 -1.801 6.527 -8.600 1.00 0.00 C ATOM 204 C ALA A 14 -0.439 6.036 -9.082 1.00 0.00 C ATOM 205 O ALA A 14 0.484 6.826 -9.277 1.00 0.00 O ATOM 206 CB ALA A 14 -2.255 5.729 -7.387 1.00 0.00 C ATOM 0 H ALA A 14 -3.623 5.892 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.696 7.574 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.501 5.798 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.199 6.131 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.391 4.685 -7.669 1.00 0.00 H new ATOM 212 N ILE A 15 -0.319 4.726 -9.271 1.00 0.00 N ATOM 213 CA ILE A 15 0.928 4.123 -9.729 1.00 0.00 C ATOM 214 C ILE A 15 1.441 4.788 -11.000 1.00 0.00 C ATOM 215 O ILE A 15 2.615 5.138 -11.091 1.00 0.00 O ATOM 216 CB ILE A 15 0.765 2.607 -9.963 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.307 2.326 -11.020 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.418 1.911 -8.654 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.578 0.851 -11.231 1.00 0.00 C ATOM 0 H ILE A 15 -1.074 4.059 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 15 1.662 4.279 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 15 1.712 2.213 -10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.234 2.819 -10.726 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.003 2.769 -11.966 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.305 0.841 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.216 2.078 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.516 2.315 -8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.348 0.728 -11.993 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.337 0.356 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.919 0.406 -10.296 1.00 0.00 H new ATOM 231 N ALA A 16 0.561 4.952 -11.981 1.00 0.00 N ATOM 232 CA ALA A 16 0.933 5.558 -13.257 1.00 0.00 C ATOM 233 C ALA A 16 1.796 6.805 -13.084 1.00 0.00 C ATOM 234 O ALA A 16 1.283 7.908 -12.891 1.00 0.00 O ATOM 235 CB ALA A 16 -0.312 5.885 -14.066 1.00 0.00 C ATOM 0 H ALA A 16 -0.418 4.673 -11.918 1.00 0.00 H new ATOM 0 HA ALA A 16 1.535 4.827 -13.796 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.021 6.336 -15.015 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.873 4.970 -14.256 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.935 6.584 -13.508 1.00 0.00 H new ATOM 241 N GLN A 17 3.114 6.622 -13.181 1.00 0.00 N ATOM 242 CA GLN A 17 4.061 7.723 -13.061 1.00 0.00 C ATOM 243 C GLN A 17 3.712 8.636 -11.893 1.00 0.00 C ATOM 244 O GLN A 17 2.950 9.590 -12.044 1.00 0.00 O ATOM 245 CB GLN A 17 4.083 8.526 -14.362 1.00 0.00 C ATOM 246 CG GLN A 17 4.600 7.727 -15.543 1.00 0.00 C ATOM 247 CD GLN A 17 6.106 7.552 -15.511 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.658 7.021 -14.549 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.777 8.002 -16.565 1.00 0.00 N ATOM 0 H GLN A 17 3.548 5.714 -13.344 1.00 0.00 H new ATOM 0 HA GLN A 17 5.048 7.302 -12.871 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.075 8.878 -14.582 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.707 9.409 -14.227 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.124 6.747 -15.551 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.315 8.227 -16.469 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.277 8.436 -17.341 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.793 7.914 -16.599 1.00 0.00 H new ATOM 258 N ASP A 18 4.274 8.342 -10.725 1.00 0.00 N ATOM 259 CA ASP A 18 4.012 9.147 -9.544 1.00 0.00 C ATOM 260 C ASP A 18 4.867 8.700 -8.362 1.00 0.00 C ATOM 261 O ASP A 18 4.390 8.656 -7.229 1.00 0.00 O ATOM 262 CB ASP A 18 2.528 9.078 -9.176 1.00 0.00 C ATOM 263 CG ASP A 18 2.175 9.984 -8.011 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.377 11.210 -8.132 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.697 9.468 -6.980 1.00 0.00 O ATOM 0 H ASP A 18 4.909 7.558 -10.574 1.00 0.00 H new ATOM 0 HA ASP A 18 4.277 10.178 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.929 9.356 -10.043 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.267 8.050 -8.925 1.00 0.00 H new ATOM 270 N LYS A 19 6.132 8.373 -8.628 1.00 0.00 N ATOM 271 CA LYS A 19 7.043 7.944 -7.572 1.00 0.00 C ATOM 272 C LYS A 19 6.639 6.572 -7.043 1.00 0.00 C ATOM 273 O LYS A 19 5.964 5.809 -7.734 1.00 0.00 O ATOM 274 CB LYS A 19 7.051 9.003 -6.459 1.00 0.00 C ATOM 275 CG LYS A 19 7.693 10.317 -6.890 1.00 0.00 C ATOM 276 CD LYS A 19 7.409 11.459 -5.921 1.00 0.00 C ATOM 277 CE LYS A 19 5.972 11.959 -6.017 1.00 0.00 C ATOM 278 NZ LYS A 19 4.988 10.988 -5.464 1.00 0.00 N ATOM 0 H LYS A 19 6.545 8.397 -9.560 1.00 0.00 H new ATOM 0 HA LYS A 19 8.053 7.848 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.027 9.193 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.587 8.610 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.771 10.179 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.327 10.587 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.607 11.125 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.092 12.283 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.884 12.904 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.731 12.160 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.218 11.504 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.597 10.412 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.461 10.368 -4.776 1.00 0.00 H new ATOM 292 N LEU A 20 7.065 6.252 -5.832 1.00 0.00 N ATOM 293 CA LEU A 20 6.755 4.960 -5.238 1.00 0.00 C ATOM 294 C LEU A 20 5.566 5.060 -4.293 1.00 0.00 C ATOM 295 O LEU A 20 5.637 5.699 -3.246 1.00 0.00 O ATOM 296 CB LEU A 20 7.962 4.426 -4.470 1.00 0.00 C ATOM 297 CG LEU A 20 7.733 3.081 -3.780 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.485 1.990 -4.810 1.00 0.00 C ATOM 299 CD2 LEU A 20 8.915 2.728 -2.892 1.00 0.00 C ATOM 0 H LEU A 20 7.625 6.867 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 20 6.503 4.276 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.800 4.328 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.252 5.160 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 20 6.848 3.162 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.324 1.039 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.603 2.240 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.350 1.907 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.734 1.768 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.819 2.665 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.041 3.498 -2.131 1.00 0.00 H new ATOM 311 N VAL A 21 4.478 4.409 -4.672 1.00 0.00 N ATOM 312 CA VAL A 21 3.267 4.403 -3.865 1.00 0.00 C ATOM 313 C VAL A 21 3.167 3.112 -3.061 1.00 0.00 C ATOM 314 O VAL A 21 3.228 2.016 -3.618 1.00 0.00 O ATOM 315 CB VAL A 21 2.007 4.553 -4.742 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.751 4.567 -3.884 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.095 5.813 -5.590 1.00 0.00 C ATOM 0 H VAL A 21 4.408 3.875 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 21 3.324 5.253 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 21 1.950 3.694 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.125 4.674 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.681 3.633 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.796 5.404 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.198 5.903 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.179 6.684 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.971 5.756 -6.236 1.00 0.00 H new ATOM 327 N VAL A 22 3.016 3.249 -1.749 1.00 0.00 N ATOM 328 CA VAL A 22 2.913 2.092 -0.871 1.00 0.00 C ATOM 329 C VAL A 22 1.458 1.813 -0.518 1.00 0.00 C ATOM 330 O VAL A 22 0.898 2.423 0.394 1.00 0.00 O ATOM 331 CB VAL A 22 3.720 2.299 0.425 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.652 1.060 1.308 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.163 2.651 0.098 1.00 0.00 C ATOM 0 H VAL A 22 2.962 4.149 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 22 3.326 1.239 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 22 3.279 3.129 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.229 1.229 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.614 0.856 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.065 0.207 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.721 2.794 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.614 1.842 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.190 3.570 -0.488 1.00 0.00 H new ATOM 343 N VAL A 23 0.848 0.894 -1.258 1.00 0.00 N ATOM 344 CA VAL A 23 -0.546 0.539 -1.038 1.00 0.00 C ATOM 345 C VAL A 23 -0.672 -0.810 -0.341 1.00 0.00 C ATOM 346 O VAL A 23 -0.046 -1.791 -0.744 1.00 0.00 O ATOM 347 CB VAL A 23 -1.320 0.491 -2.366 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.804 0.270 -2.118 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.084 1.761 -3.162 1.00 0.00 C ATOM 0 H VAL A 23 1.299 0.382 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.973 1.311 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.951 -0.351 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.332 0.240 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.948 -0.674 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.197 1.086 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.639 1.711 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.424 2.621 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.020 1.864 -3.375 1.00 0.00 H new ATOM 359 N ASP A 24 -1.491 -0.851 0.701 1.00 0.00 N ATOM 360 CA ASP A 24 -1.708 -2.080 1.452 1.00 0.00 C ATOM 361 C ASP A 24 -3.015 -2.745 1.024 1.00 0.00 C ATOM 362 O ASP A 24 -4.051 -2.090 0.925 1.00 0.00 O ATOM 363 CB ASP A 24 -1.737 -1.783 2.954 1.00 0.00 C ATOM 364 CG ASP A 24 -1.924 -3.034 3.789 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.960 -3.711 3.620 1.00 0.00 O ATOM 366 OD2 ASP A 24 -1.035 -3.338 4.611 1.00 0.00 O ATOM 0 H ASP A 24 -2.016 -0.047 1.046 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.885 -2.763 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.807 -1.293 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.545 -1.083 3.167 1.00 0.00 H new ATOM 371 N PHE A 25 -2.959 -4.048 0.764 1.00 0.00 N ATOM 372 CA PHE A 25 -4.125 -4.796 0.342 1.00 0.00 C ATOM 373 C PHE A 25 -4.739 -5.544 1.520 1.00 0.00 C ATOM 374 O PHE A 25 -4.934 -6.759 1.471 1.00 0.00 O ATOM 375 CB PHE A 25 -3.719 -5.786 -0.742 1.00 0.00 C ATOM 376 CG PHE A 25 -3.445 -5.167 -2.082 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.528 -4.136 -2.228 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.085 -5.652 -3.205 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.261 -3.600 -3.476 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.827 -5.120 -4.451 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.913 -4.093 -4.588 1.00 0.00 C ATOM 0 H PHE A 25 -2.108 -4.606 0.841 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.869 -4.102 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.827 -6.319 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.510 -6.527 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.017 -3.748 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.797 -6.458 -3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.545 -2.798 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.339 -5.506 -5.320 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.709 -3.677 -5.563 1.00 0.00 H new ATOM 391 N TYR A 26 -5.046 -4.805 2.579 1.00 0.00 N ATOM 392 CA TYR A 26 -5.642 -5.386 3.772 1.00 0.00 C ATOM 393 C TYR A 26 -6.959 -6.084 3.444 1.00 0.00 C ATOM 394 O TYR A 26 -7.741 -5.595 2.634 1.00 0.00 O ATOM 395 CB TYR A 26 -5.863 -4.303 4.834 1.00 0.00 C ATOM 396 CG TYR A 26 -6.479 -3.026 4.294 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.691 -3.043 3.614 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.843 -1.800 4.463 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.249 -1.879 3.119 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.398 -0.636 3.977 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.601 -0.679 3.307 1.00 0.00 C ATOM 402 OH TYR A 26 -8.154 0.482 2.818 1.00 0.00 O ATOM 0 H TYR A 26 -4.891 -3.798 2.634 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.954 -6.133 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.508 -4.702 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.907 -4.064 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.206 -3.981 3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.898 -1.760 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.189 -1.911 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.891 0.307 4.121 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.729 0.273 2.052 1.00 0.00 H new ATOM 412 N ALA A 27 -7.201 -7.226 4.076 1.00 0.00 N ATOM 413 CA ALA A 27 -8.432 -7.967 3.839 1.00 0.00 C ATOM 414 C ALA A 27 -9.625 -7.189 4.370 1.00 0.00 C ATOM 415 O ALA A 27 -9.575 -6.629 5.466 1.00 0.00 O ATOM 416 CB ALA A 27 -8.371 -9.344 4.480 1.00 0.00 C ATOM 0 H ALA A 27 -6.567 -7.655 4.750 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.548 -8.099 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.303 -9.876 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.538 -9.906 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.228 -9.239 5.555 1.00 0.00 H new ATOM 422 N THR A 28 -10.694 -7.149 3.589 1.00 0.00 N ATOM 423 CA THR A 28 -11.894 -6.428 3.984 1.00 0.00 C ATOM 424 C THR A 28 -12.377 -6.872 5.364 1.00 0.00 C ATOM 425 O THR A 28 -12.652 -6.045 6.235 1.00 0.00 O ATOM 426 CB THR A 28 -13.005 -6.637 2.959 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.220 -6.073 3.421 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.266 -8.093 2.639 1.00 0.00 C ATOM 0 H THR A 28 -10.755 -7.607 2.679 1.00 0.00 H new ATOM 0 HA THR A 28 -11.642 -5.368 4.030 1.00 0.00 H new ATOM 0 HB THR A 28 -12.657 -6.144 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.954 -6.350 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.068 -8.166 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.360 -8.545 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.558 -8.619 3.548 1.00 0.00 H new ATOM 436 N TRP A 29 -12.480 -8.182 5.551 1.00 0.00 N ATOM 437 CA TRP A 29 -12.934 -8.750 6.817 1.00 0.00 C ATOM 438 C TRP A 29 -11.920 -8.522 7.937 1.00 0.00 C ATOM 439 O TRP A 29 -12.297 -8.189 9.062 1.00 0.00 O ATOM 440 CB TRP A 29 -13.209 -10.248 6.665 1.00 0.00 C ATOM 441 CG TRP A 29 -12.136 -10.980 5.917 1.00 0.00 C ATOM 442 CD1 TRP A 29 -12.036 -11.125 4.564 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.998 -11.640 6.477 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.914 -11.850 4.249 1.00 0.00 N ATOM 445 CE2 TRP A 29 -10.259 -12.177 5.406 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.534 -11.836 7.780 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -9.082 -12.891 5.597 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.363 -12.546 7.970 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.648 -13.067 6.883 1.00 0.00 C ATOM 0 H TRP A 29 -12.254 -8.876 4.838 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.857 -8.238 7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.318 -10.692 7.655 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.159 -10.384 6.148 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.737 -10.727 3.846 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.617 -12.104 3.307 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.080 -11.440 8.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.530 -13.293 4.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.993 -12.702 8.973 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.737 -13.618 7.064 1.00 0.00 H new ATOM 460 N CYS A 30 -10.636 -8.710 7.634 1.00 0.00 N ATOM 461 CA CYS A 30 -9.579 -8.527 8.631 1.00 0.00 C ATOM 462 C CYS A 30 -9.784 -7.235 9.421 1.00 0.00 C ATOM 463 O CYS A 30 -10.087 -6.188 8.848 1.00 0.00 O ATOM 464 CB CYS A 30 -8.203 -8.517 7.962 1.00 0.00 C ATOM 465 SG CYS A 30 -6.825 -8.326 9.116 1.00 0.00 S ATOM 0 H CYS A 30 -10.302 -8.988 6.711 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.629 -9.366 9.325 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.073 -9.447 7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.170 -7.705 7.235 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.704 -8.541 8.493 1.00 0.00 H new ATOM 471 N GLY A 31 -9.626 -7.319 10.738 1.00 0.00 N ATOM 472 CA GLY A 31 -9.807 -6.152 11.584 1.00 0.00 C ATOM 473 C GLY A 31 -8.496 -5.502 11.992 1.00 0.00 C ATOM 474 O GLY A 31 -8.294 -4.311 11.750 1.00 0.00 O ATOM 0 H GLY A 31 -9.376 -8.174 11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.420 -5.420 11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.356 -6.442 12.480 1.00 0.00 H new ATOM 478 N PRO A 32 -7.580 -6.258 12.622 1.00 0.00 N ATOM 479 CA PRO A 32 -6.285 -5.727 13.065 1.00 0.00 C ATOM 480 C PRO A 32 -5.568 -4.937 11.975 1.00 0.00 C ATOM 481 O PRO A 32 -4.760 -4.055 12.264 1.00 0.00 O ATOM 482 CB PRO A 32 -5.496 -6.987 13.422 1.00 0.00 C ATOM 483 CG PRO A 32 -6.535 -7.977 13.821 1.00 0.00 C ATOM 484 CD PRO A 32 -7.734 -7.687 12.959 1.00 0.00 C ATOM 0 HA PRO A 32 -6.395 -5.023 13.890 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.913 -7.344 12.573 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.794 -6.799 14.234 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.182 -8.997 13.668 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.781 -7.880 14.878 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.746 -8.311 12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.666 -7.875 13.492 1.00 0.00 H new ATOM 492 N CYS A 33 -5.869 -5.257 10.722 1.00 0.00 N ATOM 493 CA CYS A 33 -5.254 -4.576 9.589 1.00 0.00 C ATOM 494 C CYS A 33 -5.637 -3.098 9.563 1.00 0.00 C ATOM 495 O CYS A 33 -4.859 -2.252 9.123 1.00 0.00 O ATOM 496 CB CYS A 33 -5.678 -5.240 8.280 1.00 0.00 C ATOM 497 SG CYS A 33 -7.465 -5.230 8.001 1.00 0.00 S ATOM 0 H CYS A 33 -6.536 -5.985 10.465 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.172 -4.651 9.699 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.187 -4.731 7.450 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.325 -6.271 8.276 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.798 -4.150 7.358 1.00 0.00 H new ATOM 503 N LYS A 34 -6.847 -2.798 10.030 1.00 0.00 N ATOM 504 CA LYS A 34 -7.341 -1.424 10.052 1.00 0.00 C ATOM 505 C LYS A 34 -6.473 -0.535 10.937 1.00 0.00 C ATOM 506 O LYS A 34 -6.409 0.678 10.737 1.00 0.00 O ATOM 507 CB LYS A 34 -8.791 -1.390 10.537 1.00 0.00 C ATOM 508 CG LYS A 34 -9.742 -2.202 9.673 1.00 0.00 C ATOM 509 CD LYS A 34 -11.165 -2.149 10.206 1.00 0.00 C ATOM 510 CE LYS A 34 -11.698 -0.726 10.230 1.00 0.00 C ATOM 511 NZ LYS A 34 -11.707 -0.113 8.873 1.00 0.00 N ATOM 0 H LYS A 34 -7.503 -3.487 10.398 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.294 -1.037 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.832 -1.766 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.132 -0.355 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.721 -1.822 8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.405 -3.238 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.811 -2.770 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.193 -2.566 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.710 -0.724 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.086 -0.120 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.258 0.769 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.731 0.096 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.138 -0.775 8.196 1.00 0.00 H new ATOM 525 N MET A 35 -5.798 -1.142 11.909 1.00 0.00 N ATOM 526 CA MET A 35 -4.926 -0.394 12.811 1.00 0.00 C ATOM 527 C MET A 35 -3.694 0.131 12.071 1.00 0.00 C ATOM 528 O MET A 35 -2.893 0.875 12.634 1.00 0.00 O ATOM 529 CB MET A 35 -4.497 -1.273 13.986 1.00 0.00 C ATOM 530 CG MET A 35 -5.659 -1.777 14.825 1.00 0.00 C ATOM 531 SD MET A 35 -5.123 -2.807 16.205 1.00 0.00 S ATOM 532 CE MET A 35 -6.697 -3.207 16.960 1.00 0.00 C ATOM 0 H MET A 35 -5.837 -2.145 12.092 1.00 0.00 H new ATOM 0 HA MET A 35 -5.487 0.459 13.193 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.938 -2.127 13.605 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.818 -0.707 14.624 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.221 -0.926 15.209 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.338 -2.348 14.192 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.532 -3.842 17.831 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.196 -2.289 17.270 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.322 -3.734 16.240 1.00 0.00 H new ATOM 542 N ILE A 36 -3.552 -0.264 10.808 1.00 0.00 N ATOM 543 CA ILE A 36 -2.429 0.159 9.985 1.00 0.00 C ATOM 544 C ILE A 36 -2.711 1.495 9.299 1.00 0.00 C ATOM 545 O ILE A 36 -1.787 2.221 8.935 1.00 0.00 O ATOM 546 CB ILE A 36 -2.107 -0.909 8.923 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.666 -2.211 9.597 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.038 -0.409 7.968 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.305 -3.305 8.617 1.00 0.00 C ATOM 0 H ILE A 36 -4.209 -0.882 10.332 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.570 0.285 10.644 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.010 -1.108 8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.806 -2.007 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.468 -2.565 10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.825 -1.178 7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.391 0.492 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.130 -0.181 8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.002 -4.198 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.170 -3.536 7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.483 -2.970 7.985 1.00 0.00 H new ATOM 561 N ALA A 37 -3.989 1.816 9.130 1.00 0.00 N ATOM 562 CA ALA A 37 -4.388 3.067 8.492 1.00 0.00 C ATOM 563 C ALA A 37 -3.681 4.278 9.100 1.00 0.00 C ATOM 564 O ALA A 37 -3.205 5.148 8.370 1.00 0.00 O ATOM 565 CB ALA A 37 -5.897 3.238 8.571 1.00 0.00 C ATOM 0 H ALA A 37 -4.768 1.227 9.426 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.086 3.011 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.183 4.174 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.385 2.407 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.207 3.256 9.616 1.00 0.00 H new ATOM 571 N PRO A 38 -3.590 4.363 10.443 1.00 0.00 N ATOM 572 CA PRO A 38 -2.924 5.489 11.098 1.00 0.00 C ATOM 573 C PRO A 38 -1.416 5.414 10.934 1.00 0.00 C ATOM 574 O PRO A 38 -0.753 6.435 10.751 1.00 0.00 O ATOM 575 CB PRO A 38 -3.330 5.350 12.566 1.00 0.00 C ATOM 576 CG PRO A 38 -3.652 3.907 12.751 1.00 0.00 C ATOM 577 CD PRO A 38 -4.111 3.382 11.415 1.00 0.00 C ATOM 0 HA PRO A 38 -3.212 6.450 10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.522 5.661 13.228 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.191 5.978 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.777 3.359 13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.430 3.779 13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.718 2.384 11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.198 3.312 11.367 1.00 0.00 H new ATOM 585 N MET A 39 -0.877 4.200 10.970 1.00 0.00 N ATOM 586 CA MET A 39 0.537 4.002 10.791 1.00 0.00 C ATOM 587 C MET A 39 0.930 4.414 9.381 1.00 0.00 C ATOM 588 O MET A 39 1.834 5.219 9.188 1.00 0.00 O ATOM 589 CB MET A 39 0.881 2.542 11.049 1.00 0.00 C ATOM 590 CG MET A 39 0.709 2.122 12.490 1.00 0.00 C ATOM 591 SD MET A 39 1.417 0.500 12.838 1.00 0.00 S ATOM 592 CE MET A 39 0.506 -0.525 11.689 1.00 0.00 C ATOM 0 H MET A 39 -1.409 3.343 11.123 1.00 0.00 H new ATOM 0 HA MET A 39 1.093 4.617 11.498 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.252 1.913 10.419 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.913 2.363 10.748 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.177 2.864 13.138 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.353 2.109 12.735 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.929 -1.530 11.683 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.539 -0.573 11.994 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.573 -0.098 10.688 1.00 0.00 H new ATOM 602 N ILE A 40 0.211 3.879 8.394 1.00 0.00 N ATOM 603 CA ILE A 40 0.458 4.211 6.995 1.00 0.00 C ATOM 604 C ILE A 40 0.548 5.728 6.806 1.00 0.00 C ATOM 605 O ILE A 40 1.178 6.211 5.864 1.00 0.00 O ATOM 606 CB ILE A 40 -0.667 3.649 6.086 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.648 2.122 6.085 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.538 4.171 4.660 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.745 1.505 5.240 1.00 0.00 C ATOM 0 H ILE A 40 -0.548 3.213 8.540 1.00 0.00 H new ATOM 0 HA ILE A 40 1.407 3.756 6.711 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.619 3.991 6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.319 1.779 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.745 1.764 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.340 3.759 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.606 5.259 4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.425 3.869 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.671 0.418 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.717 1.819 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.636 1.833 4.206 1.00 0.00 H new ATOM 621 N GLU A 41 -0.095 6.469 7.702 1.00 0.00 N ATOM 622 CA GLU A 41 -0.103 7.925 7.639 1.00 0.00 C ATOM 623 C GLU A 41 1.127 8.534 8.315 1.00 0.00 C ATOM 624 O GLU A 41 1.510 9.664 8.014 1.00 0.00 O ATOM 625 CB GLU A 41 -1.377 8.459 8.296 1.00 0.00 C ATOM 626 CG GLU A 41 -1.473 9.977 8.309 1.00 0.00 C ATOM 627 CD GLU A 41 -2.735 10.475 8.985 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.838 10.130 8.511 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.619 11.211 9.987 1.00 0.00 O ATOM 0 H GLU A 41 -0.621 6.081 8.485 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.076 8.214 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.242 8.054 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.427 8.093 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.604 10.388 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.443 10.348 7.285 1.00 0.00 H new ATOM 636 N LYS A 42 1.735 7.789 9.234 1.00 0.00 N ATOM 637 CA LYS A 42 2.911 8.277 9.950 1.00 0.00 C ATOM 638 C LYS A 42 4.193 8.085 9.140 1.00 0.00 C ATOM 639 O LYS A 42 5.222 8.687 9.450 1.00 0.00 O ATOM 640 CB LYS A 42 3.040 7.577 11.305 1.00 0.00 C ATOM 641 CG LYS A 42 1.883 7.862 12.248 1.00 0.00 C ATOM 642 CD LYS A 42 2.149 7.343 13.656 1.00 0.00 C ATOM 643 CE LYS A 42 2.192 5.823 13.714 1.00 0.00 C ATOM 644 NZ LYS A 42 3.382 5.261 13.018 1.00 0.00 N ATOM 0 H LYS A 42 1.436 6.851 9.500 1.00 0.00 H new ATOM 0 HA LYS A 42 2.773 9.347 10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.110 6.501 11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.970 7.890 11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.703 8.936 12.286 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.976 7.401 11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.096 7.745 14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.372 7.708 14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.199 5.502 14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.286 5.419 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.803 4.510 13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.093 4.866 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.083 6.014 12.865 1.00 0.00 H new ATOM 658 N PHE A 43 4.134 7.251 8.106 1.00 0.00 N ATOM 659 CA PHE A 43 5.303 6.998 7.268 1.00 0.00 C ATOM 660 C PHE A 43 5.372 7.979 6.101 1.00 0.00 C ATOM 661 O PHE A 43 6.430 8.166 5.500 1.00 0.00 O ATOM 662 CB PHE A 43 5.285 5.563 6.739 1.00 0.00 C ATOM 663 CG PHE A 43 5.421 4.517 7.807 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.491 4.428 8.828 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.476 3.618 7.785 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.607 3.465 9.810 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.598 2.650 8.766 1.00 0.00 C ATOM 668 CZ PHE A 43 5.662 2.574 9.780 1.00 0.00 C ATOM 0 H PHE A 43 3.295 6.741 7.829 1.00 0.00 H new ATOM 0 HA PHE A 43 6.189 7.139 7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.353 5.397 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.095 5.441 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.663 5.121 8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.210 3.674 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.874 3.408 10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.424 1.954 8.739 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.755 1.820 10.547 1.00 0.00 H new ATOM 678 N SER A 44 4.244 8.604 5.783 1.00 0.00 N ATOM 679 CA SER A 44 4.187 9.564 4.687 1.00 0.00 C ATOM 680 C SER A 44 4.954 10.844 5.023 1.00 0.00 C ATOM 681 O SER A 44 5.151 11.699 4.160 1.00 0.00 O ATOM 682 CB SER A 44 2.733 9.902 4.353 1.00 0.00 C ATOM 683 OG SER A 44 2.659 10.835 3.289 1.00 0.00 O ATOM 0 H SER A 44 3.358 8.463 6.268 1.00 0.00 H new ATOM 0 HA SER A 44 4.659 9.104 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.198 8.992 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.239 10.311 5.235 1.00 0.00 H new ATOM 0 HG SER A 44 3.469 11.387 3.281 1.00 0.00 H new ATOM 689 N GLU A 45 5.384 10.974 6.276 1.00 0.00 N ATOM 690 CA GLU A 45 6.125 12.154 6.706 1.00 0.00 C ATOM 691 C GLU A 45 7.622 11.979 6.469 1.00 0.00 C ATOM 692 O GLU A 45 8.349 12.956 6.289 1.00 0.00 O ATOM 693 CB GLU A 45 5.862 12.434 8.186 1.00 0.00 C ATOM 694 CG GLU A 45 4.399 12.697 8.505 1.00 0.00 C ATOM 695 CD GLU A 45 4.164 12.980 9.976 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.481 12.103 10.807 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.667 14.079 10.298 1.00 0.00 O ATOM 0 H GLU A 45 5.232 10.279 7.007 1.00 0.00 H new ATOM 0 HA GLU A 45 5.781 13.002 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.206 11.584 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.453 13.296 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.049 13.544 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.805 11.834 8.206 1.00 0.00 H new ATOM 704 N GLN A 46 8.079 10.729 6.476 1.00 0.00 N ATOM 705 CA GLN A 46 9.493 10.433 6.270 1.00 0.00 C ATOM 706 C GLN A 46 9.820 10.214 4.795 1.00 0.00 C ATOM 707 O GLN A 46 10.927 10.512 4.350 1.00 0.00 O ATOM 708 CB GLN A 46 9.899 9.212 7.092 1.00 0.00 C ATOM 709 CG GLN A 46 9.833 9.465 8.586 1.00 0.00 C ATOM 710 CD GLN A 46 10.226 8.255 9.409 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.333 7.732 9.275 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.321 7.807 10.271 1.00 0.00 N ATOM 0 H GLN A 46 7.492 9.908 6.622 1.00 0.00 H new ATOM 0 HA GLN A 46 10.065 11.298 6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.247 8.376 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.913 8.918 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.490 10.298 8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.820 9.766 8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.416 8.272 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.530 6.998 10.856 1.00 0.00 H new ATOM 721 N TYR A 47 8.853 9.706 4.036 1.00 0.00 N ATOM 722 CA TYR A 47 9.061 9.470 2.609 1.00 0.00 C ATOM 723 C TYR A 47 8.023 10.213 1.770 1.00 0.00 C ATOM 724 O TYR A 47 7.422 9.635 0.866 1.00 0.00 O ATOM 725 CB TYR A 47 9.000 7.979 2.298 1.00 0.00 C ATOM 726 CG TYR A 47 9.989 7.151 3.084 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.346 7.186 2.795 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.558 6.334 4.119 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.248 6.424 3.516 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.452 5.569 4.846 1.00 0.00 C ATOM 731 CZ TYR A 47 11.796 5.617 4.538 1.00 0.00 C ATOM 732 OH TYR A 47 12.690 4.857 5.257 1.00 0.00 O ATOM 0 H TYR A 47 7.927 9.452 4.380 1.00 0.00 H new ATOM 0 HA TYR A 47 10.050 9.849 2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.993 7.616 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.182 7.832 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.703 7.818 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.506 6.295 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.301 6.461 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.100 4.938 5.649 1.00 0.00 H new ATOM 0 HH TYR A 47 12.503 3.906 5.111 1.00 0.00 H new ATOM 742 N PRO A 48 7.794 11.504 2.065 1.00 0.00 N ATOM 743 CA PRO A 48 6.823 12.333 1.345 1.00 0.00 C ATOM 744 C PRO A 48 6.778 12.057 -0.157 1.00 0.00 C ATOM 745 O PRO A 48 5.752 12.258 -0.804 1.00 0.00 O ATOM 746 CB PRO A 48 7.330 13.746 1.615 1.00 0.00 C ATOM 747 CG PRO A 48 7.955 13.673 2.969 1.00 0.00 C ATOM 748 CD PRO A 48 8.454 12.258 3.148 1.00 0.00 C ATOM 0 HA PRO A 48 5.803 12.143 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.053 14.058 0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.515 14.470 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.776 14.385 3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.231 13.927 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.540 12.205 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.188 11.863 4.128 1.00 0.00 H new ATOM 756 N GLN A 49 7.894 11.593 -0.702 1.00 0.00 N ATOM 757 CA GLN A 49 7.979 11.283 -2.128 1.00 0.00 C ATOM 758 C GLN A 49 7.060 10.117 -2.476 1.00 0.00 C ATOM 759 O GLN A 49 6.461 10.079 -3.548 1.00 0.00 O ATOM 760 CB GLN A 49 9.414 10.931 -2.530 1.00 0.00 C ATOM 761 CG GLN A 49 10.406 12.075 -2.389 1.00 0.00 C ATOM 762 CD GLN A 49 10.514 12.599 -0.970 1.00 0.00 C ATOM 763 OE1 GLN A 49 10.867 11.863 -0.049 1.00 0.00 O ATOM 764 NE2 GLN A 49 10.208 13.878 -0.786 1.00 0.00 N ATOM 0 H GLN A 49 8.754 11.422 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 49 7.666 12.170 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.754 10.094 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.415 10.591 -3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.388 11.739 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.108 12.890 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.920 14.453 -1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.261 14.286 0.147 1.00 0.00 H new ATOM 773 N ALA A 50 6.960 9.167 -1.560 1.00 0.00 N ATOM 774 CA ALA A 50 6.126 7.995 -1.770 1.00 0.00 C ATOM 775 C ALA A 50 4.705 8.237 -1.276 1.00 0.00 C ATOM 776 O ALA A 50 4.497 8.821 -0.213 1.00 0.00 O ATOM 777 CB ALA A 50 6.732 6.791 -1.067 1.00 0.00 C ATOM 0 H ALA A 50 7.446 9.185 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 50 6.080 7.796 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.100 5.918 -1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.727 6.598 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.804 6.992 0.002 1.00 0.00 H new ATOM 783 N ASP A 51 3.731 7.779 -2.053 1.00 0.00 N ATOM 784 CA ASP A 51 2.331 7.939 -1.691 1.00 0.00 C ATOM 785 C ASP A 51 1.869 6.752 -0.860 1.00 0.00 C ATOM 786 O ASP A 51 1.963 5.604 -1.291 1.00 0.00 O ATOM 787 CB ASP A 51 1.463 8.073 -2.944 1.00 0.00 C ATOM 788 CG ASP A 51 1.846 9.274 -3.786 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.008 9.335 -4.241 1.00 0.00 O ATOM 790 OD2 ASP A 51 0.984 10.154 -3.993 1.00 0.00 O ATOM 0 H ASP A 51 3.886 7.294 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 51 2.228 8.849 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.554 7.168 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.417 8.157 -2.651 1.00 0.00 H new ATOM 795 N PHE A 52 1.385 7.035 0.341 1.00 0.00 N ATOM 796 CA PHE A 52 0.928 5.987 1.240 1.00 0.00 C ATOM 797 C PHE A 52 -0.582 5.805 1.168 1.00 0.00 C ATOM 798 O PHE A 52 -1.329 6.346 1.982 1.00 0.00 O ATOM 799 CB PHE A 52 1.368 6.293 2.670 1.00 0.00 C ATOM 800 CG PHE A 52 2.860 6.295 2.831 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.643 7.210 2.147 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.481 5.374 3.658 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.018 7.208 2.285 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.855 5.367 3.802 1.00 0.00 C ATOM 805 CZ PHE A 52 5.625 6.285 3.114 1.00 0.00 C ATOM 0 H PHE A 52 1.299 7.980 0.714 1.00 0.00 H new ATOM 0 HA PHE A 52 1.384 5.049 0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.974 7.265 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.935 5.554 3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.173 7.934 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.884 4.653 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.617 7.927 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.327 4.645 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.699 6.281 3.224 1.00 0.00 H new ATOM 815 N TYR A 53 -1.015 5.024 0.187 1.00 0.00 N ATOM 816 CA TYR A 53 -2.430 4.737 -0.011 1.00 0.00 C ATOM 817 C TYR A 53 -2.771 3.347 0.513 1.00 0.00 C ATOM 818 O TYR A 53 -1.927 2.670 1.098 1.00 0.00 O ATOM 819 CB TYR A 53 -2.779 4.824 -1.500 1.00 0.00 C ATOM 820 CG TYR A 53 -2.867 6.233 -2.035 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.943 7.047 -1.715 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.881 6.746 -2.867 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.037 8.333 -2.208 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.965 8.033 -3.365 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.045 8.822 -3.032 1.00 0.00 C ATOM 826 OH TYR A 53 -3.135 10.104 -3.526 1.00 0.00 O ATOM 0 H TYR A 53 -0.399 4.574 -0.490 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.012 5.475 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.028 4.277 -2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.733 4.324 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.721 6.668 -1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.034 6.129 -3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.883 8.953 -1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.189 8.418 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.355 10.293 -4.089 1.00 0.00 H new ATOM 836 N LYS A 54 -4.009 2.924 0.293 1.00 0.00 N ATOM 837 CA LYS A 54 -4.453 1.611 0.735 1.00 0.00 C ATOM 838 C LYS A 54 -5.380 0.991 -0.300 1.00 0.00 C ATOM 839 O LYS A 54 -6.104 1.699 -1.000 1.00 0.00 O ATOM 840 CB LYS A 54 -5.166 1.708 2.084 1.00 0.00 C ATOM 841 CG LYS A 54 -4.493 2.653 3.068 1.00 0.00 C ATOM 842 CD LYS A 54 -5.151 2.591 4.437 1.00 0.00 C ATOM 843 CE LYS A 54 -4.896 3.857 5.233 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.451 5.059 4.551 1.00 0.00 N ATOM 0 H LYS A 54 -4.722 3.472 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.575 0.975 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.191 2.040 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.220 0.714 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.438 2.395 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.541 3.673 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.225 2.444 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.769 1.731 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.344 3.761 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.823 3.985 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.348 5.888 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.935 5.224 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.458 4.906 4.343 1.00 0.00 H new ATOM 858 N LEU A 55 -5.355 -0.333 -0.400 1.00 0.00 N ATOM 859 CA LEU A 55 -6.194 -1.036 -1.360 1.00 0.00 C ATOM 860 C LEU A 55 -7.353 -1.735 -0.661 1.00 0.00 C ATOM 861 O LEU A 55 -7.165 -2.447 0.326 1.00 0.00 O ATOM 862 CB LEU A 55 -5.356 -2.041 -2.157 1.00 0.00 C ATOM 863 CG LEU A 55 -6.065 -2.683 -3.354 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.195 -3.593 -2.894 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.596 -1.608 -4.291 1.00 0.00 C ATOM 0 H LEU A 55 -4.765 -0.939 0.170 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.613 -0.305 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.458 -1.537 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.029 -2.832 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.340 -3.292 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.682 -4.036 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.791 -4.384 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.923 -3.012 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.097 -2.078 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.304 -0.976 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.767 -0.999 -4.653 1.00 0.00 H new ATOM 877 N ASP A 56 -8.555 -1.512 -1.181 1.00 0.00 N ATOM 878 CA ASP A 56 -9.760 -2.091 -0.626 1.00 0.00 C ATOM 879 C ASP A 56 -9.992 -3.509 -1.142 1.00 0.00 C ATOM 880 O ASP A 56 -10.194 -3.720 -2.336 1.00 0.00 O ATOM 881 CB ASP A 56 -10.939 -1.198 -0.991 1.00 0.00 C ATOM 882 CG ASP A 56 -10.842 0.171 -0.349 1.00 0.00 C ATOM 883 OD1 ASP A 56 -9.878 0.406 0.409 1.00 0.00 O ATOM 884 OD2 ASP A 56 -11.731 1.008 -0.601 1.00 0.00 O ATOM 0 H ASP A 56 -8.715 -0.924 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.655 -2.156 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.986 -1.087 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.866 -1.678 -0.679 1.00 0.00 H new ATOM 889 N VAL A 57 -9.972 -4.474 -0.229 1.00 0.00 N ATOM 890 CA VAL A 57 -10.192 -5.872 -0.585 1.00 0.00 C ATOM 891 C VAL A 57 -11.686 -6.215 -0.578 1.00 0.00 C ATOM 892 O VAL A 57 -12.071 -7.368 -0.767 1.00 0.00 O ATOM 893 CB VAL A 57 -9.419 -6.811 0.372 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.760 -8.276 0.115 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.920 -6.586 0.219 1.00 0.00 C ATOM 0 H VAL A 57 -9.805 -4.314 0.765 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.814 -6.021 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.719 -6.574 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.199 -8.907 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.828 -8.433 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.497 -8.536 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.382 -7.250 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.623 -6.796 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.681 -5.550 0.461 1.00 0.00 H new ATOM 905 N ASP A 58 -12.527 -5.201 -0.374 1.00 0.00 N ATOM 906 CA ASP A 58 -13.972 -5.398 -0.360 1.00 0.00 C ATOM 907 C ASP A 58 -14.582 -4.997 -1.699 1.00 0.00 C ATOM 908 O ASP A 58 -15.480 -5.665 -2.210 1.00 0.00 O ATOM 909 CB ASP A 58 -14.618 -4.582 0.761 1.00 0.00 C ATOM 910 CG ASP A 58 -14.394 -3.093 0.602 1.00 0.00 C ATOM 911 OD1 ASP A 58 -13.223 -2.663 0.645 1.00 0.00 O ATOM 912 OD2 ASP A 58 -15.389 -2.356 0.433 1.00 0.00 O ATOM 0 H ASP A 58 -12.231 -4.238 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.163 -6.457 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.689 -4.784 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.214 -4.906 1.720 1.00 0.00 H new ATOM 917 N GLU A 59 -14.089 -3.896 -2.256 1.00 0.00 N ATOM 918 CA GLU A 59 -14.587 -3.398 -3.532 1.00 0.00 C ATOM 919 C GLU A 59 -13.659 -3.801 -4.676 1.00 0.00 C ATOM 920 O GLU A 59 -14.096 -3.955 -5.816 1.00 0.00 O ATOM 921 CB GLU A 59 -14.730 -1.875 -3.486 1.00 0.00 C ATOM 922 CG GLU A 59 -15.402 -1.285 -4.716 1.00 0.00 C ATOM 923 CD GLU A 59 -16.802 -1.827 -4.939 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.939 -3.046 -5.170 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.763 -1.030 -4.883 1.00 0.00 O ATOM 0 H GLU A 59 -13.346 -3.332 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.566 -3.843 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.305 -1.600 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.741 -1.430 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.449 -0.201 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.792 -1.496 -5.594 1.00 0.00 H new ATOM 932 N LEU A 60 -12.376 -3.966 -4.364 1.00 0.00 N ATOM 933 CA LEU A 60 -11.389 -4.349 -5.370 1.00 0.00 C ATOM 934 C LEU A 60 -10.825 -5.737 -5.083 1.00 0.00 C ATOM 935 O LEU A 60 -9.624 -5.969 -5.215 1.00 0.00 O ATOM 936 CB LEU A 60 -10.248 -3.329 -5.423 1.00 0.00 C ATOM 937 CG LEU A 60 -10.661 -1.899 -5.778 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.572 -1.326 -4.705 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.432 -1.022 -5.964 1.00 0.00 C ATOM 0 H LEU A 60 -11.996 -3.841 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.893 -4.370 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.751 -3.315 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.513 -3.669 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.212 -1.921 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.856 -0.309 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.467 -1.942 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.047 -1.316 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.743 -0.008 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.854 -1.005 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.817 -1.424 -6.769 1.00 0.00 H new ATOM 951 N GLY A 61 -11.700 -6.658 -4.693 1.00 0.00 N ATOM 952 CA GLY A 61 -11.267 -8.011 -4.399 1.00 0.00 C ATOM 953 C GLY A 61 -10.546 -8.658 -5.567 1.00 0.00 C ATOM 954 O GLY A 61 -9.788 -9.610 -5.388 1.00 0.00 O ATOM 0 H GLY A 61 -12.699 -6.492 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.607 -7.997 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.133 -8.616 -4.131 1.00 0.00 H new ATOM 958 N ASP A 62 -10.785 -8.139 -6.768 1.00 0.00 N ATOM 959 CA ASP A 62 -10.157 -8.669 -7.972 1.00 0.00 C ATOM 960 C ASP A 62 -8.675 -8.311 -8.034 1.00 0.00 C ATOM 961 O ASP A 62 -7.886 -9.011 -8.667 1.00 0.00 O ATOM 962 CB ASP A 62 -10.866 -8.146 -9.210 1.00 0.00 C ATOM 963 CG ASP A 62 -12.330 -8.536 -9.251 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.622 -9.751 -9.254 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.185 -7.626 -9.280 1.00 0.00 O ATOM 0 H ASP A 62 -11.411 -7.350 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.242 -9.755 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.782 -7.060 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.366 -8.530 -10.100 1.00 0.00 H new ATOM 970 N VAL A 63 -8.301 -7.216 -7.377 1.00 0.00 N ATOM 971 CA VAL A 63 -6.913 -6.772 -7.371 1.00 0.00 C ATOM 972 C VAL A 63 -6.080 -7.610 -6.399 1.00 0.00 C ATOM 973 O VAL A 63 -5.023 -8.127 -6.762 1.00 0.00 O ATOM 974 CB VAL A 63 -6.798 -5.280 -7.003 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.394 -4.766 -7.282 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.828 -4.460 -7.766 1.00 0.00 C ATOM 0 H VAL A 63 -8.938 -6.623 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.526 -6.906 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.996 -5.174 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.333 -3.711 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.675 -5.332 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.166 -4.887 -8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.731 -3.409 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.662 -4.573 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.830 -4.809 -7.515 1.00 0.00 H new ATOM 986 N ALA A 64 -6.575 -7.763 -5.171 1.00 0.00 N ATOM 987 CA ALA A 64 -5.885 -8.565 -4.159 1.00 0.00 C ATOM 988 C ALA A 64 -5.657 -9.983 -4.672 1.00 0.00 C ATOM 989 O ALA A 64 -4.701 -10.651 -4.282 1.00 0.00 O ATOM 990 CB ALA A 64 -6.693 -8.592 -2.870 1.00 0.00 C ATOM 0 H ALA A 64 -7.449 -7.344 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.916 -8.111 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.170 -9.191 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.816 -7.575 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.673 -9.028 -3.064 1.00 0.00 H new ATOM 996 N GLN A 65 -6.543 -10.429 -5.558 1.00 0.00 N ATOM 997 CA GLN A 65 -6.444 -11.762 -6.141 1.00 0.00 C ATOM 998 C GLN A 65 -5.610 -11.732 -7.419 1.00 0.00 C ATOM 999 O GLN A 65 -5.031 -12.744 -7.817 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.838 -12.317 -6.440 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.712 -12.471 -5.205 1.00 0.00 C ATOM 1002 CD GLN A 65 -8.130 -13.436 -4.193 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -7.035 -13.222 -3.670 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -8.861 -14.508 -3.909 1.00 0.00 N ATOM 0 H GLN A 65 -7.340 -9.884 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.951 -12.413 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.338 -11.657 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.737 -13.287 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.846 -11.496 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.700 -12.819 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.763 -14.646 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.521 -15.193 -3.234 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.541 -10.563 -8.052 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.771 -10.397 -9.271 1.00 0.00 C ATOM 1015 C LYS A 66 -3.278 -10.403 -8.952 1.00 0.00 C ATOM 1016 O LYS A 66 -2.501 -11.129 -9.571 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.203 -9.102 -9.966 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.063 -8.236 -10.476 1.00 0.00 C ATOM 1019 CD LYS A 66 -3.324 -8.894 -11.631 1.00 0.00 C ATOM 1020 CE LYS A 66 -2.184 -8.023 -12.131 1.00 0.00 C ATOM 1021 NZ LYS A 66 -1.177 -7.757 -11.066 1.00 0.00 N ATOM 0 H LYS A 66 -6.013 -9.716 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.960 -11.228 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.850 -9.356 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.801 -8.515 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.456 -7.272 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.364 -8.040 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.932 -9.859 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.020 -9.087 -12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.698 -8.511 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.584 -7.077 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.346 -7.292 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.593 -7.138 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.888 -8.656 -10.629 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.890 -9.598 -7.967 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.508 -9.514 -7.545 1.00 0.00 C ATOM 1037 C ASN A 67 -1.124 -10.710 -6.671 1.00 0.00 C ATOM 1038 O ASN A 67 0.019 -10.822 -6.227 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.295 -8.215 -6.777 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.484 -6.990 -7.650 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.787 -6.810 -8.648 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.432 -6.139 -7.275 1.00 0.00 N ATOM 0 H ASN A 67 -3.525 -8.992 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.871 -9.528 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.992 -8.172 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.290 -8.206 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.606 -5.296 -7.822 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.986 -6.329 -6.440 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.088 -11.602 -6.429 1.00 0.00 N ATOM 1050 CA GLU A 68 -1.858 -12.790 -5.615 1.00 0.00 C ATOM 1051 C GLU A 68 -1.617 -12.423 -4.155 1.00 0.00 C ATOM 1052 O GLU A 68 -0.803 -13.049 -3.477 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.671 -13.589 -6.158 1.00 0.00 C ATOM 1054 CG GLU A 68 -0.841 -14.013 -7.608 1.00 0.00 C ATOM 1055 CD GLU A 68 0.353 -14.784 -8.135 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.669 -15.850 -7.566 1.00 0.00 O ATOM 1057 OE2 GLU A 68 0.974 -14.321 -9.114 1.00 0.00 O ATOM 0 H GLU A 68 -3.039 -11.520 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.755 -13.407 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.234 -12.988 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.528 -14.477 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.736 -14.629 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.998 -13.128 -8.225 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.334 -11.411 -3.669 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.192 -10.982 -2.284 1.00 0.00 C ATOM 1066 C VAL A 69 -3.490 -11.193 -1.511 1.00 0.00 C ATOM 1067 O VAL A 69 -4.195 -10.235 -1.190 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.783 -9.500 -2.188 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.549 -9.107 -0.736 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.542 -9.233 -3.027 1.00 0.00 C ATOM 0 H VAL A 69 -3.014 -10.878 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.404 -11.593 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.596 -8.889 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.261 -8.057 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.465 -9.260 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.753 -9.722 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.268 -8.181 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.281 -9.851 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.748 -9.476 -4.069 1.00 0.00 H new ATOM 1080 N SER A 70 -3.799 -12.447 -1.211 1.00 0.00 N ATOM 1081 CA SER A 70 -5.011 -12.774 -0.469 1.00 0.00 C ATOM 1082 C SER A 70 -4.783 -12.639 1.035 1.00 0.00 C ATOM 1083 O SER A 70 -5.737 -12.592 1.810 1.00 0.00 O ATOM 1084 CB SER A 70 -5.480 -14.190 -0.803 1.00 0.00 C ATOM 1085 OG SER A 70 -4.514 -15.152 -0.417 1.00 0.00 O ATOM 0 H SER A 70 -3.230 -13.253 -1.469 1.00 0.00 H new ATOM 0 HA SER A 70 -5.786 -12.068 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.423 -14.393 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.670 -14.270 -1.873 1.00 0.00 H new ATOM 0 HG SER A 70 -4.839 -16.049 -0.640 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.515 -12.569 1.443 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.172 -12.428 2.854 1.00 0.00 C ATOM 1093 C ALA A 71 -3.864 -11.209 3.453 1.00 0.00 C ATOM 1094 O ALA A 71 -4.699 -10.581 2.801 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.664 -12.323 3.023 1.00 0.00 C ATOM 0 H ALA A 71 -2.712 -12.608 0.816 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.519 -13.314 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.423 -12.218 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.190 -13.223 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.297 -11.453 2.479 1.00 0.00 H new ATOM 1101 N MET A 72 -3.524 -10.871 4.692 1.00 0.00 N ATOM 1102 CA MET A 72 -4.139 -9.720 5.340 1.00 0.00 C ATOM 1103 C MET A 72 -3.445 -9.357 6.654 1.00 0.00 C ATOM 1104 O MET A 72 -3.506 -10.111 7.624 1.00 0.00 O ATOM 1105 CB MET A 72 -5.624 -9.990 5.593 1.00 0.00 C ATOM 1106 CG MET A 72 -5.899 -11.031 6.664 1.00 0.00 C ATOM 1107 SD MET A 72 -5.219 -12.656 6.274 1.00 0.00 S ATOM 1108 CE MET A 72 -6.080 -13.027 4.748 1.00 0.00 C ATOM 0 H MET A 72 -2.838 -11.368 5.259 1.00 0.00 H new ATOM 0 HA MET A 72 -4.029 -8.871 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.107 -9.056 5.879 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.086 -10.315 4.661 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.481 -10.688 7.610 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.976 -11.120 6.806 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.747 -13.875 4.903 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.663 -12.159 4.439 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.355 -13.272 3.972 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.773 -8.189 6.714 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.659 -7.248 5.598 1.00 0.00 C ATOM 1120 C PRO A 73 -1.471 -7.569 4.696 1.00 0.00 C ATOM 1121 O PRO A 73 -0.872 -8.638 4.805 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.444 -5.924 6.312 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.661 -6.286 7.524 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.060 -7.693 7.902 1.00 0.00 C ATOM 0 HA PRO A 73 -3.526 -7.267 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.902 -5.216 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.392 -5.455 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.591 -6.229 7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.870 -5.593 8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.189 -8.307 8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.699 -7.704 8.785 1.00 0.00 H new ATOM 1132 N THR A 74 -1.124 -6.636 3.811 1.00 0.00 N ATOM 1133 CA THR A 74 0.004 -6.830 2.904 1.00 0.00 C ATOM 1134 C THR A 74 0.478 -5.497 2.335 1.00 0.00 C ATOM 1135 O THR A 74 -0.302 -4.559 2.205 1.00 0.00 O ATOM 1136 CB THR A 74 -0.378 -7.770 1.757 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.929 -8.978 2.252 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.796 -8.133 0.870 1.00 0.00 C ATOM 0 H THR A 74 -1.605 -5.743 3.703 1.00 0.00 H new ATOM 0 HA THR A 74 0.816 -7.279 3.476 1.00 0.00 H new ATOM 0 HB THR A 74 -1.110 -7.219 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.887 -9.009 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.460 -8.801 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.213 -7.227 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.561 -8.632 1.465 1.00 0.00 H new ATOM 1146 N LEU A 75 1.763 -5.421 2.000 1.00 0.00 N ATOM 1147 CA LEU A 75 2.338 -4.201 1.446 1.00 0.00 C ATOM 1148 C LEU A 75 2.789 -4.407 0.002 1.00 0.00 C ATOM 1149 O LEU A 75 3.584 -5.300 -0.289 1.00 0.00 O ATOM 1150 CB LEU A 75 3.526 -3.743 2.290 1.00 0.00 C ATOM 1151 CG LEU A 75 3.206 -3.444 3.753 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.454 -2.968 4.477 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.097 -2.407 3.857 1.00 0.00 C ATOM 0 H LEU A 75 2.425 -6.190 2.103 1.00 0.00 H new ATOM 0 HA LEU A 75 1.563 -3.434 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.296 -4.513 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.950 -2.847 1.837 1.00 0.00 H new ATOM 0 HG LEU A 75 2.859 -4.362 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.212 -2.758 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.219 -3.743 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.827 -2.061 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.883 -2.207 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.414 -1.485 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.199 -2.785 3.369 1.00 0.00 H new ATOM 1165 N LEU A 76 2.286 -3.564 -0.893 1.00 0.00 N ATOM 1166 CA LEU A 76 2.644 -3.639 -2.305 1.00 0.00 C ATOM 1167 C LEU A 76 3.292 -2.332 -2.757 1.00 0.00 C ATOM 1168 O LEU A 76 2.751 -1.250 -2.525 1.00 0.00 O ATOM 1169 CB LEU A 76 1.404 -3.944 -3.157 1.00 0.00 C ATOM 1170 CG LEU A 76 0.739 -5.300 -2.886 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.272 -5.629 -3.974 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.778 -6.408 -2.779 1.00 0.00 C ATOM 0 H LEU A 76 1.628 -2.819 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 76 3.362 -4.448 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.668 -3.157 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.687 -3.900 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 76 0.215 -5.230 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.732 -6.594 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.042 -4.858 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.233 -5.671 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.279 -7.358 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.337 -6.474 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.463 -6.186 -1.961 1.00 0.00 H new ATOM 1184 N LEU A 77 4.459 -2.434 -3.392 1.00 0.00 N ATOM 1185 CA LEU A 77 5.176 -1.251 -3.859 1.00 0.00 C ATOM 1186 C LEU A 77 5.144 -1.163 -5.380 1.00 0.00 C ATOM 1187 O LEU A 77 5.239 -2.178 -6.074 1.00 0.00 O ATOM 1188 CB LEU A 77 6.624 -1.272 -3.361 1.00 0.00 C ATOM 1189 CG LEU A 77 6.794 -1.284 -1.839 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.215 -2.556 -1.240 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.262 -1.139 -1.469 1.00 0.00 C ATOM 0 H LEU A 77 4.925 -3.319 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 77 4.678 -0.370 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.119 -2.152 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.141 -0.399 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 77 6.247 -0.436 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.347 -2.542 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.152 -2.618 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.730 -3.422 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.367 -1.149 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.828 -1.967 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.645 -0.197 -1.861 1.00 0.00 H new ATOM 1203 N PHE A 78 4.995 0.058 -5.891 1.00 0.00 N ATOM 1204 CA PHE A 78 4.928 0.292 -7.331 1.00 0.00 C ATOM 1205 C PHE A 78 5.635 1.595 -7.707 1.00 0.00 C ATOM 1206 O PHE A 78 5.315 2.651 -7.159 1.00 0.00 O ATOM 1207 CB PHE A 78 3.458 0.382 -7.752 1.00 0.00 C ATOM 1208 CG PHE A 78 2.630 -0.792 -7.307 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.791 -2.039 -7.888 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.696 -0.645 -6.294 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.032 -3.117 -7.469 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.935 -1.719 -5.872 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.103 -2.956 -6.459 1.00 0.00 C ATOM 0 H PHE A 78 4.918 0.903 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 78 5.424 -0.533 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.027 1.296 -7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.404 0.463 -8.838 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.517 -2.171 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.561 0.320 -5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.166 -4.084 -7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.209 -1.590 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.510 -3.796 -6.130 1.00 0.00 H new ATOM 1223 N LYS A 79 6.583 1.539 -8.648 1.00 0.00 N ATOM 1224 CA LYS A 79 7.283 2.760 -9.065 1.00 0.00 C ATOM 1225 C LYS A 79 7.029 3.082 -10.535 1.00 0.00 C ATOM 1226 O LYS A 79 7.072 2.199 -11.391 1.00 0.00 O ATOM 1227 CB LYS A 79 8.789 2.662 -8.811 1.00 0.00 C ATOM 1228 CG LYS A 79 9.164 2.682 -7.337 1.00 0.00 C ATOM 1229 CD LYS A 79 10.662 2.856 -7.140 1.00 0.00 C ATOM 1230 CE LYS A 79 11.140 4.207 -7.646 1.00 0.00 C ATOM 1231 NZ LYS A 79 12.601 4.396 -7.430 1.00 0.00 N ATOM 0 H LYS A 79 6.878 0.687 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 79 6.880 3.570 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.165 1.743 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.288 3.490 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.635 3.494 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.840 1.753 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.904 2.757 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.193 2.062 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.916 4.297 -8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.592 5.000 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.884 5.336 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.815 4.319 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.126 3.665 -7.951 1.00 0.00 H new ATOM 1245 N ASN A 80 6.769 4.359 -10.820 1.00 0.00 N ATOM 1246 CA ASN A 80 6.513 4.810 -12.186 1.00 0.00 C ATOM 1247 C ASN A 80 5.477 3.929 -12.881 1.00 0.00 C ATOM 1248 O ASN A 80 5.769 3.289 -13.891 1.00 0.00 O ATOM 1249 CB ASN A 80 7.814 4.820 -12.990 1.00 0.00 C ATOM 1250 CG ASN A 80 8.858 5.741 -12.390 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.274 5.564 -11.244 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.287 6.733 -13.162 1.00 0.00 N ATOM 0 H ASN A 80 6.730 5.100 -10.120 1.00 0.00 H new ATOM 0 HA ASN A 80 6.113 5.822 -12.133 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.214 3.807 -13.042 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.603 5.132 -14.013 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.988 7.385 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.915 6.842 -14.105 1.00 0.00 H new ATOM 1259 N GLY A 81 4.265 3.913 -12.338 1.00 0.00 N ATOM 1260 CA GLY A 81 3.194 3.119 -12.912 1.00 0.00 C ATOM 1261 C GLY A 81 3.592 1.679 -13.164 1.00 0.00 C ATOM 1262 O GLY A 81 3.020 1.010 -14.024 1.00 0.00 O ATOM 0 H GLY A 81 4.004 4.440 -11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.335 3.140 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.877 3.572 -13.851 1.00 0.00 H new ATOM 1266 N LYS A 82 4.567 1.202 -12.405 1.00 0.00 N ATOM 1267 CA LYS A 82 5.042 -0.168 -12.534 1.00 0.00 C ATOM 1268 C LYS A 82 5.142 -0.814 -11.156 1.00 0.00 C ATOM 1269 O LYS A 82 4.520 -0.353 -10.205 1.00 0.00 O ATOM 1270 CB LYS A 82 6.397 -0.194 -13.251 1.00 0.00 C ATOM 1271 CG LYS A 82 6.339 0.323 -14.680 1.00 0.00 C ATOM 1272 CD LYS A 82 5.413 -0.518 -15.541 1.00 0.00 C ATOM 1273 CE LYS A 82 5.353 0.000 -16.969 1.00 0.00 C ATOM 1274 NZ LYS A 82 4.443 -0.816 -17.819 1.00 0.00 N ATOM 0 H LYS A 82 5.047 1.747 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 82 4.332 -0.739 -13.132 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.110 0.406 -12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.775 -1.216 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.997 1.358 -14.680 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.341 0.319 -15.110 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.756 -1.552 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.412 -0.515 -15.110 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.014 1.036 -16.965 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.354 -0.006 -17.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.430 -0.430 -18.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.780 -1.799 -17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.482 -0.790 -17.423 1.00 0.00 H new ATOM 1288 N GLU A 83 5.918 -1.877 -11.052 1.00 0.00 N ATOM 1289 CA GLU A 83 6.090 -2.580 -9.790 1.00 0.00 C ATOM 1290 C GLU A 83 7.498 -2.325 -9.256 1.00 0.00 C ATOM 1291 O GLU A 83 8.266 -1.596 -9.881 1.00 0.00 O ATOM 1292 CB GLU A 83 5.838 -4.080 -10.026 1.00 0.00 C ATOM 1293 CG GLU A 83 5.853 -4.946 -8.775 1.00 0.00 C ATOM 1294 CD GLU A 83 5.290 -6.331 -9.022 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.845 -7.055 -9.874 1.00 0.00 O ATOM 1296 OE2 GLU A 83 4.293 -6.692 -8.363 1.00 0.00 O ATOM 0 H GLU A 83 6.443 -2.276 -11.830 1.00 0.00 H new ATOM 0 HA GLU A 83 5.380 -2.220 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.872 -4.197 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.594 -4.454 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.876 -5.033 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.275 -4.457 -7.991 1.00 0.00 H new ATOM 1303 N VAL A 84 7.828 -2.900 -8.099 1.00 0.00 N ATOM 1304 CA VAL A 84 9.148 -2.727 -7.502 1.00 0.00 C ATOM 1305 C VAL A 84 9.413 -3.764 -6.418 1.00 0.00 C ATOM 1306 O VAL A 84 10.477 -4.382 -6.393 1.00 0.00 O ATOM 1307 CB VAL A 84 9.342 -1.325 -6.904 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.568 -0.304 -8.003 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.153 -0.938 -6.044 1.00 0.00 C ATOM 0 H VAL A 84 7.196 -3.490 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 84 9.860 -2.860 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 84 10.227 -1.343 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.703 0.683 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.459 -0.572 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.705 -0.288 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.312 0.058 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.248 -0.939 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.044 -1.655 -5.230 1.00 0.00 H new ATOM 1319 N ALA A 85 8.452 -3.955 -5.518 1.00 0.00 N ATOM 1320 CA ALA A 85 8.622 -4.924 -4.442 1.00 0.00 C ATOM 1321 C ALA A 85 7.300 -5.253 -3.763 1.00 0.00 C ATOM 1322 O ALA A 85 6.305 -4.546 -3.929 1.00 0.00 O ATOM 1323 CB ALA A 85 9.622 -4.405 -3.422 1.00 0.00 C ATOM 0 H ALA A 85 7.561 -3.459 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 85 9.003 -5.845 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.740 -5.137 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.584 -4.239 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.260 -3.466 -3.003 1.00 0.00 H new ATOM 1329 N LYS A 86 7.304 -6.335 -2.990 1.00 0.00 N ATOM 1330 CA LYS A 86 6.117 -6.772 -2.270 1.00 0.00 C ATOM 1331 C LYS A 86 6.494 -7.508 -1.003 1.00 0.00 C ATOM 1332 O LYS A 86 7.380 -8.365 -1.013 1.00 0.00 O ATOM 1333 CB LYS A 86 5.261 -7.679 -3.146 1.00 0.00 C ATOM 1334 CG LYS A 86 4.668 -6.964 -4.335 1.00 0.00 C ATOM 1335 CD LYS A 86 3.793 -7.886 -5.171 1.00 0.00 C ATOM 1336 CE LYS A 86 4.583 -9.072 -5.705 1.00 0.00 C ATOM 1337 NZ LYS A 86 5.720 -8.643 -6.567 1.00 0.00 N ATOM 0 H LYS A 86 8.122 -6.927 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 86 5.544 -5.883 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.868 -8.514 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.456 -8.101 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.077 -6.115 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.470 -6.563 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.960 -8.245 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.366 -7.327 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.963 -9.660 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.920 -9.722 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.716 -9.196 -7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.623 -7.632 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.616 -8.800 -6.063 1.00 0.00 H new ATOM 1351 N VAL A 87 5.816 -7.185 0.086 1.00 0.00 N ATOM 1352 CA VAL A 87 6.089 -7.840 1.347 1.00 0.00 C ATOM 1353 C VAL A 87 4.870 -7.819 2.262 1.00 0.00 C ATOM 1354 O VAL A 87 4.527 -6.785 2.834 1.00 0.00 O ATOM 1355 CB VAL A 87 7.285 -7.190 2.076 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.593 -7.927 3.371 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.507 -7.154 1.172 1.00 0.00 C ATOM 0 H VAL A 87 5.080 -6.480 0.119 1.00 0.00 H new ATOM 0 HA VAL A 87 6.338 -8.875 1.113 1.00 0.00 H new ATOM 0 HB VAL A 87 7.016 -6.164 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.439 -7.452 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.722 -7.893 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.839 -8.965 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.339 -6.692 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.778 -8.170 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.281 -6.573 0.278 1.00 0.00 H new ATOM 1367 N VAL A 88 4.224 -8.972 2.399 1.00 0.00 N ATOM 1368 CA VAL A 88 3.049 -9.092 3.252 1.00 0.00 C ATOM 1369 C VAL A 88 3.427 -8.933 4.723 1.00 0.00 C ATOM 1370 O VAL A 88 3.540 -9.915 5.456 1.00 0.00 O ATOM 1371 CB VAL A 88 2.337 -10.447 3.036 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.334 -11.592 3.132 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.209 -10.634 4.042 1.00 0.00 C ATOM 0 H VAL A 88 4.495 -9.836 1.930 1.00 0.00 H new ATOM 0 HA VAL A 88 2.361 -8.292 2.976 1.00 0.00 H new ATOM 0 HB VAL A 88 1.902 -10.448 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.817 -12.539 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.103 -11.470 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.798 -11.589 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.723 -11.594 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.615 -10.609 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.480 -9.832 3.924 1.00 0.00 H new ATOM 1383 N GLY A 89 3.620 -7.686 5.144 1.00 0.00 N ATOM 1384 CA GLY A 89 3.984 -7.412 6.523 1.00 0.00 C ATOM 1385 C GLY A 89 4.517 -6.003 6.710 1.00 0.00 C ATOM 1386 O GLY A 89 5.642 -5.701 6.314 1.00 0.00 O ATOM 0 H GLY A 89 3.531 -6.859 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.113 -7.556 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.738 -8.129 6.847 1.00 0.00 H new ATOM 1390 N ALA A 90 3.704 -5.140 7.315 1.00 0.00 N ATOM 1391 CA ALA A 90 4.099 -3.755 7.552 1.00 0.00 C ATOM 1392 C ALA A 90 4.632 -3.569 8.967 1.00 0.00 C ATOM 1393 O ALA A 90 4.381 -2.547 9.608 1.00 0.00 O ATOM 1394 CB ALA A 90 2.924 -2.822 7.303 1.00 0.00 C ATOM 0 H ALA A 90 2.770 -5.375 7.649 1.00 0.00 H new ATOM 0 HA ALA A 90 4.900 -3.508 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.232 -1.792 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.590 -2.925 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.106 -3.079 7.976 1.00 0.00 H new ATOM 1400 N ASN A 91 5.377 -4.556 9.444 1.00 0.00 N ATOM 1401 CA ASN A 91 5.956 -4.497 10.779 1.00 0.00 C ATOM 1402 C ASN A 91 7.291 -3.757 10.741 1.00 0.00 C ATOM 1403 O ASN A 91 8.064 -3.918 9.797 1.00 0.00 O ATOM 1404 CB ASN A 91 6.152 -5.907 11.338 1.00 0.00 C ATOM 1405 CG ASN A 91 6.736 -5.901 12.738 1.00 0.00 C ATOM 1406 OD1 ASN A 91 7.834 -5.393 12.962 1.00 0.00 O ATOM 1407 ND2 ASN A 91 6.002 -6.468 13.689 1.00 0.00 N ATOM 0 H ASN A 91 5.595 -5.408 8.926 1.00 0.00 H new ATOM 0 HA ASN A 91 5.271 -3.956 11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.194 -6.426 11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.811 -6.469 10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.344 -6.494 14.650 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.097 -6.877 13.459 1.00 0.00 H new ATOM 1414 N PRO A 92 7.579 -2.932 11.763 1.00 0.00 N ATOM 1415 CA PRO A 92 8.829 -2.165 11.834 1.00 0.00 C ATOM 1416 C PRO A 92 10.055 -3.007 11.492 1.00 0.00 C ATOM 1417 O PRO A 92 10.688 -3.584 12.376 1.00 0.00 O ATOM 1418 CB PRO A 92 8.871 -1.719 13.293 1.00 0.00 C ATOM 1419 CG PRO A 92 7.438 -1.572 13.661 1.00 0.00 C ATOM 1420 CD PRO A 92 6.714 -2.672 12.931 1.00 0.00 C ATOM 0 HA PRO A 92 8.850 -1.345 11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.372 -2.455 13.922 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.412 -0.780 13.409 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.300 -1.660 14.739 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.058 -0.593 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.600 -3.560 13.553 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.713 -2.364 12.629 1.00 0.00 H new ATOM 1428 N ALA A 93 10.382 -3.074 10.205 1.00 0.00 N ATOM 1429 CA ALA A 93 11.530 -3.848 9.748 1.00 0.00 C ATOM 1430 C ALA A 93 11.695 -3.755 8.235 1.00 0.00 C ATOM 1431 O ALA A 93 12.813 -3.654 7.730 1.00 0.00 O ATOM 1432 CB ALA A 93 11.390 -5.303 10.174 1.00 0.00 C ATOM 0 H ALA A 93 9.868 -2.602 9.461 1.00 0.00 H new ATOM 0 HA ALA A 93 12.423 -3.427 10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.254 -5.869 9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.333 -5.360 11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.483 -5.723 9.740 1.00 0.00 H new ATOM 1438 N ALA A 94 10.579 -3.797 7.510 1.00 0.00 N ATOM 1439 CA ALA A 94 10.618 -3.723 6.053 1.00 0.00 C ATOM 1440 C ALA A 94 9.782 -2.568 5.525 1.00 0.00 C ATOM 1441 O ALA A 94 10.208 -1.852 4.619 1.00 0.00 O ATOM 1442 CB ALA A 94 10.162 -5.038 5.440 1.00 0.00 C ATOM 0 H ALA A 94 9.643 -3.881 7.905 1.00 0.00 H new ATOM 0 HA ALA A 94 11.652 -3.539 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.198 -4.964 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.820 -5.841 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.141 -5.252 5.756 1.00 0.00 H new ATOM 1448 N ILE A 95 8.599 -2.371 6.098 1.00 0.00 N ATOM 1449 CA ILE A 95 7.730 -1.281 5.674 1.00 0.00 C ATOM 1450 C ILE A 95 8.490 0.049 5.637 1.00 0.00 C ATOM 1451 O ILE A 95 8.050 1.004 5.000 1.00 0.00 O ATOM 1452 CB ILE A 95 6.509 -1.154 6.607 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.620 0.025 6.199 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.963 -1.002 8.051 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.140 -0.030 4.765 1.00 0.00 C ATOM 0 H ILE A 95 8.223 -2.947 6.851 1.00 0.00 H new ATOM 0 HA ILE A 95 7.383 -1.515 4.667 1.00 0.00 H new ATOM 0 HB ILE A 95 5.918 -2.066 6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.754 0.059 6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.173 0.952 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.091 -0.913 8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.545 -1.876 8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.579 -0.108 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.517 0.840 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.999 -0.031 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.558 -0.939 4.611 1.00 0.00 H new ATOM 1467 N LYS A 96 9.637 0.102 6.315 1.00 0.00 N ATOM 1468 CA LYS A 96 10.452 1.309 6.344 1.00 0.00 C ATOM 1469 C LYS A 96 11.471 1.310 5.212 1.00 0.00 C ATOM 1470 O LYS A 96 11.394 2.128 4.296 1.00 0.00 O ATOM 1471 CB LYS A 96 11.167 1.440 7.691 1.00 0.00 C ATOM 1472 CG LYS A 96 10.243 1.798 8.843 1.00 0.00 C ATOM 1473 CD LYS A 96 9.554 3.133 8.609 1.00 0.00 C ATOM 1474 CE LYS A 96 10.558 4.259 8.427 1.00 0.00 C ATOM 1475 NZ LYS A 96 9.889 5.563 8.170 1.00 0.00 N ATOM 0 H LYS A 96 10.019 -0.678 6.850 1.00 0.00 H new ATOM 0 HA LYS A 96 9.788 2.163 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.669 0.499 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.942 2.202 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.493 1.017 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.815 1.840 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.919 3.065 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.902 3.359 9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.179 4.339 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.223 4.022 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.594 6.327 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.442 5.545 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.163 5.730 8.896 1.00 0.00 H new ATOM 1489 N GLN A 97 12.427 0.389 5.280 1.00 0.00 N ATOM 1490 CA GLN A 97 13.459 0.292 4.259 1.00 0.00 C ATOM 1491 C GLN A 97 12.841 0.025 2.892 1.00 0.00 C ATOM 1492 O GLN A 97 13.333 0.510 1.873 1.00 0.00 O ATOM 1493 CB GLN A 97 14.463 -0.813 4.600 1.00 0.00 C ATOM 1494 CG GLN A 97 15.350 -0.503 5.798 1.00 0.00 C ATOM 1495 CD GLN A 97 14.606 -0.519 7.120 1.00 0.00 C ATOM 1496 OE1 GLN A 97 13.751 0.328 7.377 1.00 0.00 O ATOM 1497 NE2 GLN A 97 14.928 -1.489 7.968 1.00 0.00 N ATOM 0 H GLN A 97 12.507 -0.298 6.030 1.00 0.00 H new ATOM 0 HA GLN A 97 13.986 1.245 4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.918 -1.736 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.096 -0.994 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 97 16.161 -1.230 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.807 0.477 5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.643 -2.171 7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.460 -1.552 8.872 1.00 0.00 H new ATOM 1506 N ALA A 98 11.757 -0.743 2.878 1.00 0.00 N ATOM 1507 CA ALA A 98 11.071 -1.066 1.632 1.00 0.00 C ATOM 1508 C ALA A 98 10.628 0.207 0.917 1.00 0.00 C ATOM 1509 O ALA A 98 10.562 0.254 -0.310 1.00 0.00 O ATOM 1510 CB ALA A 98 9.875 -1.966 1.904 1.00 0.00 C ATOM 0 H ALA A 98 11.336 -1.152 3.712 1.00 0.00 H new ATOM 0 HA ALA A 98 11.767 -1.599 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.373 -2.198 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.214 -2.890 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.179 -1.455 2.570 1.00 0.00 H new ATOM 1516 N ILE A 99 10.328 1.238 1.702 1.00 0.00 N ATOM 1517 CA ILE A 99 9.895 2.517 1.156 1.00 0.00 C ATOM 1518 C ILE A 99 11.085 3.444 0.898 1.00 0.00 C ATOM 1519 O ILE A 99 10.958 4.450 0.200 1.00 0.00 O ATOM 1520 CB ILE A 99 8.903 3.218 2.108 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.683 2.327 2.348 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.477 4.565 1.541 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.649 2.950 3.259 1.00 0.00 C ATOM 0 H ILE A 99 10.378 1.211 2.720 1.00 0.00 H new ATOM 0 HA ILE A 99 9.398 2.308 0.209 1.00 0.00 H new ATOM 0 HB ILE A 99 9.401 3.392 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.218 2.095 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.013 1.382 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.778 5.044 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.354 5.200 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.994 4.417 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.813 2.262 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.097 3.156 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.291 3.881 2.820 1.00 0.00 H new ATOM 1535 N ALA A 100 12.239 3.101 1.465 1.00 0.00 N ATOM 1536 CA ALA A 100 13.445 3.903 1.296 1.00 0.00 C ATOM 1537 C ALA A 100 14.246 3.442 0.086 1.00 0.00 C ATOM 1538 O ALA A 100 14.345 4.153 -0.914 1.00 0.00 O ATOM 1539 CB ALA A 100 14.300 3.840 2.553 1.00 0.00 C ATOM 0 H ALA A 100 12.363 2.272 2.046 1.00 0.00 H new ATOM 0 HA ALA A 100 13.143 4.937 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.197 4.443 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.732 4.226 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.585 2.806 2.748 1.00 0.00 H new ATOM 1545 N ALA A 101 14.818 2.246 0.185 1.00 0.00 N ATOM 1546 CA ALA A 101 15.615 1.684 -0.898 1.00 0.00 C ATOM 1547 C ALA A 101 14.859 1.735 -2.221 1.00 0.00 C ATOM 1548 O ALA A 101 15.465 1.821 -3.290 1.00 0.00 O ATOM 1549 CB ALA A 101 16.014 0.253 -0.572 1.00 0.00 C ATOM 0 H ALA A 101 14.744 1.647 1.007 1.00 0.00 H new ATOM 0 HA ALA A 101 16.517 2.287 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.609 -0.154 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.601 0.239 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.118 -0.353 -0.438 1.00 0.00 H new ATOM 1555 N ASN A 102 13.534 1.682 -2.145 1.00 0.00 N ATOM 1556 CA ASN A 102 12.697 1.722 -3.326 1.00 0.00 C ATOM 1557 C ASN A 102 12.468 3.158 -3.785 1.00 0.00 C ATOM 1558 O ASN A 102 12.683 3.490 -4.949 1.00 0.00 O ATOM 1559 CB ASN A 102 11.367 1.045 -3.024 1.00 0.00 C ATOM 1560 CG ASN A 102 11.517 -0.444 -2.778 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.219 -0.865 -1.859 1.00 0.00 O ATOM 1562 ND2 ASN A 102 10.858 -1.249 -3.602 1.00 0.00 N ATOM 0 H ASN A 102 13.018 1.611 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 102 13.201 1.191 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.916 1.511 -2.148 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.684 1.205 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.922 -2.260 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.287 -0.856 -4.351 1.00 0.00 H new ATOM 1569 N ALA A 103 12.029 4.005 -2.860 1.00 0.00 N ATOM 1570 CA ALA A 103 11.769 5.406 -3.168 1.00 0.00 C ATOM 1571 C ALA A 103 13.062 6.214 -3.177 1.00 0.00 C ATOM 1572 O ALA A 103 13.382 6.806 -4.229 1.00 0.00 O ATOM 1573 CB ALA A 103 10.784 5.992 -2.169 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.743 6.250 -2.130 1.00 0.00 O ATOM 0 H ALA A 103 11.846 3.745 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 103 11.331 5.459 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.599 7.039 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.846 5.438 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.199 5.920 -1.164 1.00 0.00 H new TER 1580 ALA A 103