USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1036 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 125 GLN : amide:sc= -2.04 X(o=-9.8,f=-10!) USER MOD Set 1.2: A 127 GLN : amide:sc= -7.78! C(o=-9.8!,f=-13!) USER MOD Set 2.1: A 89 GLN : amide:sc= -6.85! C(o=-5.5!,f=-5.1!) USER MOD Set 2.2: A 97 TYR OH : rot -29:sc= 1.35 USER MOD Set 3.1: A 75 ASN : amide:sc= -0.0922 X(o=-0.092,f=-0.003) USER MOD Set 3.2: A 131 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 74 ASN : amide:sc= -1.97 K(o=-2,f=-0.44) USER MOD Set 5.1: A 70 TYR OH : rot 134:sc= -1.14 USER MOD Set 5.2: A 71 ASN : amide:sc= -7.55! C(o=-8.7!,f=-17!) USER MOD Set 6.1: A 5 GLN : amide:sc= 0.643 K(o=1.1,f=-14!) USER MOD Set 6.2: A 114 LYS NZ :NH3+ 141:sc= 0.481 (180deg=-3.26!) USER MOD Single : A 1 MET CE :methyl -169:sc= -0.658 (180deg=-0.84) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.00593 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -118:sc= -0.0672 (180deg=-0.781) USER MOD Single : A 30 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.078) USER MOD Single : A 40 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.6) USER MOD Single : A 43 MET CE :methyl 178:sc= 0 (180deg=-0.00784) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : A 53 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.1!) USER MOD Single : A 55 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -2.82 K(o=-2.8,f=-1.9) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -121:sc= 0.828 (180deg=-1.06) USER MOD Single : A 92 SER OG : rot -43:sc= 0.889 USER MOD Single : A 94 MET CE :methyl 142:sc= -4.75! (180deg=-6.42!) USER MOD Single : A 95 MET CE :methyl 160:sc= -6.95! (180deg=-9.37!) USER MOD Single : A 96 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-7.3!) USER MOD Single : A 99 THR OG1 : rot -164:sc= -2.42 USER MOD Single : A 103 ASN : amide:sc= -0.745 K(o=-0.74,f=-10!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -165:sc= -2.37 (180deg=-3.08!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 118 GLN : amide:sc= -6.54 K(o=-6.5,f=-19!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.969 K(o=-0.97,f=-0.17) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.040 2.716 17.329 1.00 0.00 N ATOM 2 CA MET A 1 12.262 2.941 15.877 1.00 0.00 C ATOM 3 C MET A 1 12.742 4.364 15.606 1.00 0.00 C ATOM 4 O MET A 1 12.685 5.226 16.483 1.00 0.00 O ATOM 5 CB MET A 1 10.950 2.677 15.137 1.00 0.00 C ATOM 6 CG MET A 1 11.139 2.017 13.780 1.00 0.00 C ATOM 7 SD MET A 1 11.943 0.408 13.897 1.00 0.00 S ATOM 8 CE MET A 1 10.536 -0.687 13.724 1.00 0.00 C ATOM 0 H1 MET A 1 12.265 1.729 17.566 1.00 0.00 H new ATOM 0 H2 MET A 1 12.654 3.352 17.877 1.00 0.00 H new ATOM 0 H3 MET A 1 11.045 2.910 17.562 1.00 0.00 H new ATOM 0 HA MET A 1 13.037 2.260 15.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.315 2.042 15.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.422 3.621 15.002 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.168 1.900 13.299 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.734 2.671 13.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.836 -1.706 13.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.743 -0.370 14.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.172 -0.653 12.697 1.00 0.00 H new ATOM 20 N ALA A 2 13.213 4.602 14.387 1.00 0.00 N ATOM 21 CA ALA A 2 13.702 5.920 13.999 1.00 0.00 C ATOM 22 C ALA A 2 12.621 6.983 14.172 1.00 0.00 C ATOM 23 O ALA A 2 12.921 8.161 14.367 1.00 0.00 O ATOM 24 CB ALA A 2 14.195 5.897 12.560 1.00 0.00 C ATOM 0 H ALA A 2 13.267 3.899 13.650 1.00 0.00 H new ATOM 0 HA ALA A 2 14.534 6.177 14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.557 6.887 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.006 5.175 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.376 5.613 11.899 1.00 0.00 H new ATOM 30 N ASP A 3 11.362 6.559 14.101 1.00 0.00 N ATOM 31 CA ASP A 3 10.236 7.475 14.250 1.00 0.00 C ATOM 32 C ASP A 3 10.209 8.497 13.118 1.00 0.00 C ATOM 33 O ASP A 3 9.731 9.618 13.292 1.00 0.00 O ATOM 34 CB ASP A 3 10.306 8.192 15.599 1.00 0.00 C ATOM 35 CG ASP A 3 10.564 7.239 16.749 1.00 0.00 C ATOM 36 OD1 ASP A 3 10.029 6.111 16.716 1.00 0.00 O ATOM 37 OD2 ASP A 3 11.302 7.619 17.682 1.00 0.00 O1- ATOM 0 H ASP A 3 11.096 5.587 13.941 1.00 0.00 H new ATOM 0 HA ASP A 3 9.318 6.889 14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.097 8.942 15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.370 8.723 15.774 1.00 0.00 H new ATOM 42 N GLU A 4 10.723 8.103 11.957 1.00 0.00 N ATOM 43 CA GLU A 4 10.754 8.985 10.797 1.00 0.00 C ATOM 44 C GLU A 4 9.510 8.790 9.937 1.00 0.00 C ATOM 45 O GLU A 4 8.944 9.752 9.417 1.00 0.00 O ATOM 46 CB GLU A 4 12.010 8.724 9.964 1.00 0.00 C ATOM 47 CG GLU A 4 12.437 9.913 9.118 1.00 0.00 C ATOM 48 CD GLU A 4 11.588 10.078 7.874 1.00 0.00 C ATOM 49 OE1 GLU A 4 11.809 9.328 6.900 1.00 0.00 O1- ATOM 50 OE2 GLU A 4 10.701 10.958 7.873 1.00 0.00 O ATOM 0 H GLU A 4 11.123 7.179 11.795 1.00 0.00 H new ATOM 0 HA GLU A 4 10.772 10.015 11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.828 8.451 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.832 7.869 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.377 10.821 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.481 9.792 8.828 1.00 0.00 H new ATOM 57 N GLN A 5 9.089 7.538 9.794 1.00 0.00 N ATOM 58 CA GLN A 5 7.910 7.211 9.001 1.00 0.00 C ATOM 59 C GLN A 5 6.629 7.590 9.742 1.00 0.00 C ATOM 60 O GLN A 5 5.782 8.304 9.205 1.00 0.00 O ATOM 61 CB GLN A 5 7.897 5.719 8.659 1.00 0.00 C ATOM 62 CG GLN A 5 7.599 5.433 7.196 1.00 0.00 C ATOM 63 CD GLN A 5 8.840 5.057 6.411 1.00 0.00 C ATOM 64 OE1 GLN A 5 9.109 5.615 5.347 1.00 0.00 O ATOM 65 NE2 GLN A 5 9.604 4.104 6.933 1.00 0.00 N ATOM 0 H GLN A 5 9.548 6.732 10.218 1.00 0.00 H new ATOM 0 HA GLN A 5 7.954 7.787 8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.865 5.288 8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.151 5.219 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.872 4.624 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.140 6.312 6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.343 3.668 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.452 3.808 6.449 1.00 0.00 H new ATOM 74 N PRO A 6 6.467 7.113 10.990 1.00 0.00 N ATOM 75 CA PRO A 6 5.280 7.405 11.796 1.00 0.00 C ATOM 76 C PRO A 6 5.321 8.803 12.404 1.00 0.00 C ATOM 77 O PRO A 6 6.215 9.594 12.104 1.00 0.00 O ATOM 78 CB PRO A 6 5.336 6.342 12.890 1.00 0.00 C ATOM 79 CG PRO A 6 6.788 6.060 13.065 1.00 0.00 C ATOM 80 CD PRO A 6 7.424 6.250 11.712 1.00 0.00 C ATOM 0 HA PRO A 6 4.365 7.383 11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.888 6.702 13.816 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.790 5.445 12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.229 6.734 13.800 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.945 5.045 13.429 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.404 6.720 11.793 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.569 5.298 11.201 1.00 0.00 H new ATOM 88 N LYS A 7 4.345 9.099 13.260 1.00 0.00 N ATOM 89 CA LYS A 7 4.259 10.402 13.919 1.00 0.00 C ATOM 90 C LYS A 7 4.493 11.543 12.930 1.00 0.00 C ATOM 91 O LYS A 7 5.146 12.535 13.254 1.00 0.00 O ATOM 92 CB LYS A 7 5.268 10.487 15.068 1.00 0.00 C ATOM 93 CG LYS A 7 6.719 10.481 14.612 1.00 0.00 C ATOM 94 CD LYS A 7 7.647 10.991 15.702 1.00 0.00 C ATOM 95 CE LYS A 7 8.781 11.822 15.125 1.00 0.00 C ATOM 96 NZ LYS A 7 8.503 13.282 15.216 1.00 0.00 N1+ ATOM 0 H LYS A 7 3.599 8.451 13.515 1.00 0.00 H new ATOM 0 HA LYS A 7 3.251 10.505 14.321 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.080 11.397 15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.106 9.648 15.744 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.009 9.469 14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.825 11.102 13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.079 11.592 16.413 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.058 10.147 16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.705 11.595 15.657 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.938 11.547 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.301 13.813 14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.636 13.504 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.378 13.550 16.213 1.00 0.00 H new ATOM 110 N LYS A 8 3.955 11.393 11.724 1.00 0.00 N ATOM 111 CA LYS A 8 4.105 12.409 10.689 1.00 0.00 C ATOM 112 C LYS A 8 2.764 12.712 10.024 1.00 0.00 C ATOM 113 O LYS A 8 1.848 11.890 10.055 1.00 0.00 O ATOM 114 CB LYS A 8 5.117 11.951 9.638 1.00 0.00 C ATOM 115 CG LYS A 8 6.560 12.254 10.009 1.00 0.00 C ATOM 116 CD LYS A 8 7.450 12.316 8.778 1.00 0.00 C ATOM 117 CE LYS A 8 7.398 13.687 8.123 1.00 0.00 C ATOM 118 NZ LYS A 8 6.456 13.716 6.970 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.412 10.578 11.440 1.00 0.00 H new ATOM 0 HA LYS A 8 4.470 13.321 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.008 10.877 9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.886 12.434 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.608 13.203 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.931 11.487 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.477 12.084 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.136 11.557 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.093 14.430 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.396 13.965 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.980 13.937 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.998 12.787 6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.731 14.444 7.132 1.00 0.00 H new ATOM 132 N PRO A 9 2.632 13.901 9.411 1.00 0.00 N ATOM 133 CA PRO A 9 1.396 14.308 8.736 1.00 0.00 C ATOM 134 C PRO A 9 1.143 13.512 7.460 1.00 0.00 C ATOM 135 O PRO A 9 1.930 12.638 7.096 1.00 0.00 O ATOM 136 CB PRO A 9 1.639 15.783 8.407 1.00 0.00 C ATOM 137 CG PRO A 9 3.120 15.913 8.326 1.00 0.00 C ATOM 138 CD PRO A 9 3.677 14.939 9.327 1.00 0.00 C ATOM 0 HA PRO A 9 0.517 14.136 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.165 16.062 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.226 16.434 9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.477 15.687 7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.435 16.931 8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.630 14.524 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.852 15.412 10.293 1.00 0.00 H new ATOM 146 N VAL A 10 0.041 13.820 6.785 1.00 0.00 N ATOM 147 CA VAL A 10 -0.315 13.133 5.549 1.00 0.00 C ATOM 148 C VAL A 10 -0.606 14.131 4.429 1.00 0.00 C ATOM 149 O VAL A 10 -0.952 15.284 4.687 1.00 0.00 O ATOM 150 CB VAL A 10 -1.538 12.212 5.751 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.357 11.350 6.992 1.00 0.00 C ATOM 152 CG2 VAL A 10 -2.822 13.023 5.844 1.00 0.00 C ATOM 0 H VAL A 10 -0.621 14.541 7.073 1.00 0.00 H new ATOM 0 HA VAL A 10 0.541 12.521 5.264 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.616 11.557 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.228 10.707 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.465 10.734 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.248 11.991 7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.668 12.350 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.758 13.709 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.961 13.591 4.924 1.00 0.00 H new ATOM 162 N PRO A 11 -0.470 13.697 3.165 1.00 0.00 N ATOM 163 CA PRO A 11 -0.718 14.555 2.003 1.00 0.00 C ATOM 164 C PRO A 11 -2.206 14.784 1.760 1.00 0.00 C ATOM 165 O PRO A 11 -3.040 14.462 2.606 1.00 0.00 O ATOM 166 CB PRO A 11 -0.103 13.765 0.849 1.00 0.00 C ATOM 167 CG PRO A 11 -0.208 12.341 1.272 1.00 0.00 C ATOM 168 CD PRO A 11 -0.061 12.336 2.770 1.00 0.00 C ATOM 0 HA PRO A 11 -0.295 15.552 2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.639 13.942 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.935 14.053 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.166 11.916 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.569 11.737 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.693 11.578 3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.965 12.123 3.071 1.00 0.00 H new ATOM 176 N ALA A 12 -2.532 15.340 0.598 1.00 0.00 N ATOM 177 CA ALA A 12 -3.920 15.611 0.243 1.00 0.00 C ATOM 178 C ALA A 12 -4.625 14.341 -0.222 1.00 0.00 C ATOM 179 O ALA A 12 -4.094 13.239 -0.083 1.00 0.00 O ATOM 180 CB ALA A 12 -3.989 16.680 -0.837 1.00 0.00 C ATOM 0 H ALA A 12 -1.854 15.612 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.433 15.975 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.031 16.872 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.530 17.598 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.456 16.337 -1.723 1.00 0.00 H new ATOM 186 N ALA A 13 -5.823 14.503 -0.773 1.00 0.00 N ATOM 187 CA ALA A 13 -6.600 13.369 -1.258 1.00 0.00 C ATOM 188 C ALA A 13 -6.287 13.075 -2.721 1.00 0.00 C ATOM 189 O ALA A 13 -5.809 13.943 -3.451 1.00 0.00 O ATOM 190 CB ALA A 13 -8.087 13.633 -1.077 1.00 0.00 C ATOM 0 H ALA A 13 -6.277 15.408 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.324 12.493 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.656 12.778 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.303 13.786 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.369 14.524 -1.638 1.00 0.00 H new ATOM 196 N GLU A 14 -6.561 11.845 -3.144 1.00 0.00 N ATOM 197 CA GLU A 14 -6.309 11.436 -4.521 1.00 0.00 C ATOM 198 C GLU A 14 -7.261 10.321 -4.940 1.00 0.00 C ATOM 199 O GLU A 14 -8.167 9.951 -4.193 1.00 0.00 O ATOM 200 CB GLU A 14 -4.860 10.971 -4.680 1.00 0.00 C ATOM 201 CG GLU A 14 -4.241 11.353 -6.015 1.00 0.00 C ATOM 202 CD GLU A 14 -2.802 11.810 -5.881 1.00 0.00 C ATOM 203 OE1 GLU A 14 -1.979 11.032 -5.354 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -2.498 12.946 -6.302 1.00 0.00 O ATOM 0 H GLU A 14 -6.958 11.114 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.480 12.297 -5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.260 11.397 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.821 9.888 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.285 10.498 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.830 12.149 -6.470 1.00 0.00 H new ATOM 211 N GLU A 15 -7.050 9.789 -6.140 1.00 0.00 N ATOM 212 CA GLU A 15 -7.890 8.716 -6.659 1.00 0.00 C ATOM 213 C GLU A 15 -7.091 7.792 -7.572 1.00 0.00 C ATOM 214 O GLU A 15 -5.888 7.977 -7.760 1.00 0.00 O ATOM 215 CB GLU A 15 -9.084 9.297 -7.420 1.00 0.00 C ATOM 216 CG GLU A 15 -10.247 9.686 -6.522 1.00 0.00 C ATOM 217 CD GLU A 15 -11.249 10.582 -7.222 1.00 0.00 C ATOM 218 OE1 GLU A 15 -11.771 10.175 -8.281 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -11.512 11.691 -6.711 1.00 0.00 O ATOM 0 H GLU A 15 -6.305 10.084 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.256 8.134 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.757 10.175 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.429 8.566 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.751 8.784 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.864 10.196 -5.638 1.00 0.00 H new ATOM 226 N ALA A 16 -7.767 6.797 -8.138 1.00 0.00 N ATOM 227 CA ALA A 16 -7.120 5.845 -9.032 1.00 0.00 C ATOM 228 C ALA A 16 -7.227 6.296 -10.486 1.00 0.00 C ATOM 229 O ALA A 16 -8.124 7.059 -10.843 1.00 0.00 O ATOM 230 CB ALA A 16 -7.731 4.462 -8.860 1.00 0.00 C ATOM 0 H ALA A 16 -8.763 6.630 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.063 5.799 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.239 3.760 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.598 4.131 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.795 4.503 -9.093 1.00 0.00 H new ATOM 236 N PRO A 17 -6.308 5.827 -11.348 1.00 0.00 N ATOM 237 CA PRO A 17 -6.303 6.187 -12.770 1.00 0.00 C ATOM 238 C PRO A 17 -7.475 5.569 -13.526 1.00 0.00 C ATOM 239 O PRO A 17 -7.840 4.417 -13.292 1.00 0.00 O ATOM 240 CB PRO A 17 -4.978 5.615 -13.278 1.00 0.00 C ATOM 241 CG PRO A 17 -4.666 4.496 -12.346 1.00 0.00 C ATOM 242 CD PRO A 17 -5.203 4.912 -11.005 1.00 0.00 C ATOM 0 HA PRO A 17 -6.402 7.262 -12.919 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.067 5.261 -14.305 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.191 6.369 -13.268 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.130 3.568 -12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.592 4.316 -12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.554 4.056 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.442 5.409 -10.404 1.00 0.00 H new ATOM 250 N ALA A 18 -8.060 6.343 -14.434 1.00 0.00 N ATOM 251 CA ALA A 18 -9.190 5.873 -15.225 1.00 0.00 C ATOM 252 C ALA A 18 -8.752 4.815 -16.233 1.00 0.00 C ATOM 253 O ALA A 18 -9.465 3.841 -16.474 1.00 0.00 O ATOM 254 CB ALA A 18 -9.857 7.039 -15.938 1.00 0.00 C ATOM 0 H ALA A 18 -7.770 7.299 -14.640 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.911 5.416 -14.547 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.699 6.673 -16.525 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.214 7.760 -15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.137 7.521 -16.599 1.00 0.00 H new ATOM 260 N ALA A 19 -7.576 5.015 -16.819 1.00 0.00 N ATOM 261 CA ALA A 19 -7.043 4.078 -17.800 1.00 0.00 C ATOM 262 C ALA A 19 -6.616 2.773 -17.138 1.00 0.00 C ATOM 263 O ALA A 19 -5.916 2.779 -16.126 1.00 0.00 O ATOM 264 CB ALA A 19 -5.872 4.703 -18.543 1.00 0.00 C ATOM 0 H ALA A 19 -6.975 5.817 -16.631 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.833 3.850 -18.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.483 3.993 -19.273 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.206 5.604 -19.057 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.086 4.960 -17.833 1.00 0.00 H new ATOM 270 N GLU A 20 -7.043 1.655 -17.717 1.00 0.00 N ATOM 271 CA GLU A 20 -6.704 0.341 -17.182 1.00 0.00 C ATOM 272 C GLU A 20 -5.648 -0.341 -18.045 1.00 0.00 C ATOM 273 O GLU A 20 -5.747 -0.354 -19.272 1.00 0.00 O ATOM 274 CB GLU A 20 -7.955 -0.536 -17.098 1.00 0.00 C ATOM 275 CG GLU A 20 -9.119 0.131 -16.386 1.00 0.00 C ATOM 276 CD GLU A 20 -10.415 -0.641 -16.536 1.00 0.00 C ATOM 277 OE1 GLU A 20 -10.646 -1.574 -15.739 1.00 0.00 O ATOM 278 OE2 GLU A 20 -11.199 -0.313 -17.452 1.00 0.00 O1- ATOM 0 H GLU A 20 -7.624 1.633 -18.555 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.296 0.477 -16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.265 -0.809 -18.107 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.705 -1.462 -16.580 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.882 0.233 -15.327 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.253 1.138 -16.781 1.00 0.00 H new ATOM 285 N ALA A 21 -4.636 -0.908 -17.395 1.00 0.00 N ATOM 286 CA ALA A 21 -3.561 -1.593 -18.103 1.00 0.00 C ATOM 287 C ALA A 21 -3.670 -3.105 -17.937 1.00 0.00 C ATOM 288 O ALA A 21 -4.344 -3.593 -17.030 1.00 0.00 O ATOM 289 CB ALA A 21 -2.209 -1.102 -17.609 1.00 0.00 C ATOM 0 H ALA A 21 -4.538 -0.906 -16.380 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.654 -1.363 -19.164 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.415 -1.621 -18.146 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.125 -0.030 -17.785 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.117 -1.303 -16.542 1.00 0.00 H new ATOM 295 N GLU A 22 -3.003 -3.841 -18.820 1.00 0.00 N ATOM 296 CA GLU A 22 -3.025 -5.298 -18.771 1.00 0.00 C ATOM 297 C GLU A 22 -1.784 -5.838 -18.069 1.00 0.00 C ATOM 298 O GLU A 22 -0.930 -5.073 -17.619 1.00 0.00 O ATOM 299 CB GLU A 22 -3.117 -5.875 -20.185 1.00 0.00 C ATOM 300 CG GLU A 22 -4.491 -5.721 -20.816 1.00 0.00 C ATOM 301 CD GLU A 22 -4.420 -5.409 -22.298 1.00 0.00 C ATOM 302 OE1 GLU A 22 -3.481 -5.896 -22.963 1.00 0.00 O ATOM 303 OE2 GLU A 22 -5.302 -4.678 -22.794 1.00 0.00 O1- ATOM 0 H GLU A 22 -2.441 -3.453 -19.577 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.903 -5.604 -18.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.378 -5.383 -20.818 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.857 -6.933 -20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.059 -6.639 -20.669 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.034 -4.925 -20.306 1.00 0.00 H new ATOM 310 N ALA A 23 -1.689 -7.161 -17.978 1.00 0.00 N ATOM 311 CA ALA A 23 -0.552 -7.803 -17.331 1.00 0.00 C ATOM 312 C ALA A 23 -0.052 -8.989 -18.149 1.00 0.00 C ATOM 313 O ALA A 23 -0.835 -9.679 -18.803 1.00 0.00 O ATOM 314 CB ALA A 23 -0.928 -8.250 -15.926 1.00 0.00 C ATOM 0 H ALA A 23 -2.386 -7.809 -18.345 1.00 0.00 H new ATOM 0 HA ALA A 23 0.256 -7.074 -17.265 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.069 -8.728 -15.454 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.230 -7.384 -15.337 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.754 -8.959 -15.979 1.00 0.00 H new ATOM 320 N GLU A 24 1.256 -9.220 -18.109 1.00 0.00 N ATOM 321 CA GLU A 24 1.860 -10.323 -18.847 1.00 0.00 C ATOM 322 C GLU A 24 2.264 -11.452 -17.904 1.00 0.00 C ATOM 323 O GLU A 24 1.990 -12.622 -18.168 1.00 0.00 O ATOM 324 CB GLU A 24 3.082 -9.833 -19.627 1.00 0.00 C ATOM 325 CG GLU A 24 3.328 -10.601 -20.916 1.00 0.00 C ATOM 326 CD GLU A 24 4.802 -10.715 -21.253 1.00 0.00 C ATOM 327 OE1 GLU A 24 5.449 -9.665 -21.447 1.00 0.00 O1- ATOM 328 OE2 GLU A 24 5.308 -11.854 -21.325 1.00 0.00 O ATOM 0 H GLU A 24 1.918 -8.658 -17.573 1.00 0.00 H new ATOM 0 HA GLU A 24 1.119 -10.707 -19.548 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.953 -8.776 -19.862 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.964 -9.913 -18.992 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.901 -11.600 -20.827 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.809 -10.104 -21.736 1.00 0.00 H new ATOM 335 N GLU A 25 2.917 -11.092 -16.804 1.00 0.00 N ATOM 336 CA GLU A 25 3.359 -12.075 -15.821 1.00 0.00 C ATOM 337 C GLU A 25 3.253 -11.515 -14.407 1.00 0.00 C ATOM 338 O GLU A 25 3.233 -10.301 -14.209 1.00 0.00 O ATOM 339 CB GLU A 25 4.800 -12.501 -16.107 1.00 0.00 C ATOM 340 CG GLU A 25 4.909 -13.654 -17.092 1.00 0.00 C ATOM 341 CD GLU A 25 6.342 -13.946 -17.491 1.00 0.00 C ATOM 342 OE1 GLU A 25 7.229 -13.873 -16.614 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 6.578 -14.246 -18.680 1.00 0.00 O ATOM 0 H GLU A 25 3.152 -10.127 -16.571 1.00 0.00 H new ATOM 0 HA GLU A 25 2.708 -12.946 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.352 -11.646 -16.498 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.278 -12.788 -15.170 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.470 -14.548 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.328 -13.421 -17.984 1.00 0.00 H new ATOM 350 N GLU A 26 3.185 -12.410 -13.426 1.00 0.00 N ATOM 351 CA GLU A 26 3.081 -12.005 -12.028 1.00 0.00 C ATOM 352 C GLU A 26 1.819 -11.182 -11.792 1.00 0.00 C ATOM 353 O GLU A 26 1.869 -9.954 -11.731 1.00 0.00 O ATOM 354 CB GLU A 26 4.314 -11.198 -11.617 1.00 0.00 C ATOM 355 CG GLU A 26 5.627 -11.920 -11.872 1.00 0.00 C ATOM 356 CD GLU A 26 6.125 -12.672 -10.653 1.00 0.00 C ATOM 357 OE1 GLU A 26 6.349 -12.026 -9.608 1.00 0.00 O1- ATOM 358 OE2 GLU A 26 6.291 -13.907 -10.744 1.00 0.00 O ATOM 0 H GLU A 26 3.200 -13.419 -13.573 1.00 0.00 H new ATOM 0 HA GLU A 26 3.024 -12.906 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.317 -10.253 -12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.242 -10.956 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.498 -12.619 -12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.381 -11.196 -12.181 1.00 0.00 H new ATOM 365 N GLU A 27 0.688 -11.868 -11.661 1.00 0.00 N ATOM 366 CA GLU A 27 -0.588 -11.200 -11.431 1.00 0.00 C ATOM 367 C GLU A 27 -1.046 -11.383 -9.988 1.00 0.00 C ATOM 368 O GLU A 27 -0.978 -10.454 -9.183 1.00 0.00 O ATOM 369 CB GLU A 27 -1.651 -11.744 -12.388 1.00 0.00 C ATOM 370 CG GLU A 27 -1.720 -10.995 -13.709 1.00 0.00 C ATOM 371 CD GLU A 27 -2.599 -9.762 -13.634 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.365 -8.919 -12.742 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.521 -9.638 -14.468 1.00 0.00 O1- ATOM 0 H GLU A 27 0.629 -12.885 -11.710 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.451 -10.135 -11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.445 -12.796 -12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.625 -11.696 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.714 -10.702 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.102 -11.663 -14.482 1.00 0.00 H new ATOM 380 N GLY A 28 -1.512 -12.585 -9.668 1.00 0.00 N ATOM 381 CA GLY A 28 -1.974 -12.867 -8.322 1.00 0.00 C ATOM 382 C GLY A 28 -3.268 -13.657 -8.306 1.00 0.00 C ATOM 383 O GLY A 28 -3.398 -14.663 -9.002 1.00 0.00 O ATOM 0 H GLY A 28 -1.578 -13.369 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.205 -13.424 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.118 -11.929 -7.787 1.00 0.00 H new ATOM 387 N LEU A 29 -4.228 -13.199 -7.509 1.00 0.00 N ATOM 388 CA LEU A 29 -5.519 -13.869 -7.404 1.00 0.00 C ATOM 389 C LEU A 29 -6.492 -13.342 -8.453 1.00 0.00 C ATOM 390 O LEU A 29 -6.138 -12.494 -9.272 1.00 0.00 O ATOM 391 CB LEU A 29 -6.106 -13.677 -6.005 1.00 0.00 C ATOM 392 CG LEU A 29 -5.661 -14.710 -4.968 1.00 0.00 C ATOM 393 CD1 LEU A 29 -5.993 -16.116 -5.441 1.00 0.00 C ATOM 394 CD2 LEU A 29 -4.172 -14.576 -4.689 1.00 0.00 C ATOM 0 H LEU A 29 -4.136 -12.367 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.363 -14.933 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.834 -12.684 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.193 -13.703 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.202 -14.524 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.670 -16.838 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.069 -16.205 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.479 -16.314 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.872 -15.318 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.613 -14.736 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.962 -13.577 -4.307 1.00 0.00 H new ATOM 406 N HIS A 30 -7.720 -13.850 -8.423 1.00 0.00 N ATOM 407 CA HIS A 30 -8.745 -13.430 -9.371 1.00 0.00 C ATOM 408 C HIS A 30 -10.050 -13.101 -8.652 1.00 0.00 C ATOM 409 O HIS A 30 -10.912 -13.964 -8.485 1.00 0.00 O ATOM 410 CB HIS A 30 -8.984 -14.524 -10.413 1.00 0.00 C ATOM 411 CG HIS A 30 -9.897 -14.103 -11.523 1.00 0.00 C ATOM 412 ND1 HIS A 30 -10.733 -14.979 -12.183 1.00 0.00 N ATOM 413 CD2 HIS A 30 -10.103 -12.890 -12.090 1.00 0.00 C ATOM 414 CE1 HIS A 30 -11.413 -14.324 -13.108 1.00 0.00 C ATOM 415 NE2 HIS A 30 -11.049 -13.055 -13.071 1.00 0.00 N ATOM 0 H HIS A 30 -8.029 -14.553 -7.752 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.392 -12.530 -9.874 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.026 -14.827 -10.836 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.405 -15.399 -9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.614 -11.965 -11.820 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.142 -14.753 -13.779 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.412 -12.317 -13.674 1.00 0.00 H new ATOM 424 N LEU A 31 -10.187 -11.849 -8.230 1.00 0.00 N ATOM 425 CA LEU A 31 -11.387 -11.407 -7.529 1.00 0.00 C ATOM 426 C LEU A 31 -12.267 -10.556 -8.439 1.00 0.00 C ATOM 427 O LEU A 31 -11.769 -9.744 -9.218 1.00 0.00 O ATOM 428 CB LEU A 31 -11.009 -10.611 -6.278 1.00 0.00 C ATOM 429 CG LEU A 31 -12.181 -10.233 -5.371 1.00 0.00 C ATOM 430 CD1 LEU A 31 -12.535 -11.388 -4.447 1.00 0.00 C ATOM 431 CD2 LEU A 31 -11.850 -8.985 -4.567 1.00 0.00 C ATOM 0 H LEU A 31 -9.483 -11.123 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.950 -12.292 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.294 -11.194 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.500 -9.698 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.047 -10.018 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.371 -11.101 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.815 -12.257 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.673 -11.635 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.695 -8.730 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.971 -9.172 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.647 -8.157 -5.247 1.00 0.00 H new ATOM 443 N GLU A 32 -13.578 -10.749 -8.336 1.00 0.00 N ATOM 444 CA GLU A 32 -14.527 -10.000 -9.150 1.00 0.00 C ATOM 445 C GLU A 32 -14.565 -8.534 -8.731 1.00 0.00 C ATOM 446 O GLU A 32 -15.462 -8.109 -8.003 1.00 0.00 O ATOM 447 CB GLU A 32 -15.925 -10.612 -9.035 1.00 0.00 C ATOM 448 CG GLU A 32 -16.077 -11.926 -9.784 1.00 0.00 C ATOM 449 CD GLU A 32 -17.514 -12.409 -9.826 1.00 0.00 C ATOM 450 OE1 GLU A 32 -18.089 -12.656 -8.745 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -18.063 -12.541 -10.940 1.00 0.00 O ATOM 0 H GLU A 32 -14.007 -11.418 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.199 -10.054 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -16.156 -10.775 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.657 -9.900 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.708 -11.804 -10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.456 -12.685 -9.309 1.00 0.00 H new ATOM 458 N ASP A 33 -13.586 -7.765 -9.196 1.00 0.00 N ATOM 459 CA ASP A 33 -13.508 -6.346 -8.869 1.00 0.00 C ATOM 460 C ASP A 33 -12.352 -5.680 -9.610 1.00 0.00 C ATOM 461 O ASP A 33 -11.185 -5.925 -9.307 1.00 0.00 O ATOM 462 CB ASP A 33 -13.338 -6.157 -7.361 1.00 0.00 C ATOM 463 CG ASP A 33 -13.911 -4.840 -6.875 1.00 0.00 C ATOM 464 OD1 ASP A 33 -13.523 -3.786 -7.422 1.00 0.00 O ATOM 465 OD2 ASP A 33 -14.748 -4.863 -5.948 1.00 0.00 O1- ATOM 0 H ASP A 33 -12.836 -8.101 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.439 -5.874 -9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.827 -6.978 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.279 -6.204 -7.109 1.00 0.00 H new ATOM 470 N ASP A 34 -12.687 -4.838 -10.582 1.00 0.00 N ATOM 471 CA ASP A 34 -11.677 -4.136 -11.366 1.00 0.00 C ATOM 472 C ASP A 34 -10.809 -3.256 -10.472 1.00 0.00 C ATOM 473 O ASP A 34 -9.581 -3.298 -10.547 1.00 0.00 O ATOM 474 CB ASP A 34 -12.342 -3.284 -12.448 1.00 0.00 C ATOM 475 CG ASP A 34 -13.315 -4.082 -13.295 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.435 -4.355 -12.814 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -12.956 -4.434 -14.438 1.00 0.00 O ATOM 0 H ASP A 34 -13.649 -4.625 -10.846 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.039 -4.881 -11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.869 -2.453 -11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.574 -2.853 -13.090 1.00 0.00 H new ATOM 482 N GLN A 35 -11.455 -2.460 -9.627 1.00 0.00 N ATOM 483 CA GLN A 35 -10.742 -1.569 -8.719 1.00 0.00 C ATOM 484 C GLN A 35 -9.964 -2.365 -7.676 1.00 0.00 C ATOM 485 O GLN A 35 -9.961 -3.596 -7.695 1.00 0.00 O ATOM 486 CB GLN A 35 -11.722 -0.620 -8.027 1.00 0.00 C ATOM 487 CG GLN A 35 -12.118 0.574 -8.880 1.00 0.00 C ATOM 488 CD GLN A 35 -13.120 0.213 -9.958 1.00 0.00 C ATOM 489 OE1 GLN A 35 -14.319 0.110 -9.698 1.00 0.00 O ATOM 490 NE2 GLN A 35 -12.633 0.018 -11.178 1.00 0.00 N ATOM 0 H GLN A 35 -12.471 -2.414 -9.552 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.034 -0.984 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.620 -1.174 -7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.274 -0.261 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.541 1.348 -8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.227 0.996 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.632 0.114 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.260 -0.228 -11.944 1.00 0.00 H new ATOM 499 N GLU A 36 -9.305 -1.654 -6.766 1.00 0.00 N ATOM 500 CA GLU A 36 -8.523 -2.294 -5.715 1.00 0.00 C ATOM 501 C GLU A 36 -9.145 -2.042 -4.343 1.00 0.00 C ATOM 502 O GLU A 36 -8.825 -1.056 -3.679 1.00 0.00 O ATOM 503 CB GLU A 36 -7.083 -1.778 -5.737 1.00 0.00 C ATOM 504 CG GLU A 36 -6.320 -2.157 -6.995 1.00 0.00 C ATOM 505 CD GLU A 36 -6.344 -3.649 -7.265 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.372 -4.143 -7.773 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -5.335 -4.322 -6.967 1.00 0.00 O ATOM 0 H GLU A 36 -9.297 -0.634 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.520 -3.368 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.094 -0.692 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.553 -2.169 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.748 -1.630 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.286 -1.825 -6.902 1.00 0.00 H new ATOM 514 N PRO A 37 -10.047 -2.935 -3.898 1.00 0.00 N ATOM 515 CA PRO A 37 -10.714 -2.803 -2.598 1.00 0.00 C ATOM 516 C PRO A 37 -9.724 -2.591 -1.457 1.00 0.00 C ATOM 517 O PRO A 37 -8.516 -2.505 -1.678 1.00 0.00 O ATOM 518 CB PRO A 37 -11.440 -4.139 -2.433 1.00 0.00 C ATOM 519 CG PRO A 37 -11.666 -4.621 -3.824 1.00 0.00 C ATOM 520 CD PRO A 37 -10.488 -4.141 -4.625 1.00 0.00 C ATOM 0 HA PRO A 37 -11.375 -1.937 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.841 -4.847 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.382 -4.014 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.741 -5.708 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.599 -4.226 -4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.700 -4.893 -4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.768 -3.910 -5.653 1.00 0.00 H new ATOM 528 N ARG A 38 -10.244 -2.507 -0.237 1.00 0.00 N ATOM 529 CA ARG A 38 -9.407 -2.304 0.939 1.00 0.00 C ATOM 530 C ARG A 38 -10.050 -2.923 2.178 1.00 0.00 C ATOM 531 O ARG A 38 -11.023 -3.670 2.076 1.00 0.00 O ATOM 532 CB ARG A 38 -9.159 -0.809 1.165 1.00 0.00 C ATOM 533 CG ARG A 38 -10.389 -0.046 1.635 1.00 0.00 C ATOM 534 CD ARG A 38 -11.521 -0.133 0.625 1.00 0.00 C ATOM 535 NE ARG A 38 -12.301 1.101 0.568 1.00 0.00 N ATOM 536 CZ ARG A 38 -11.914 2.192 -0.089 1.00 0.00 C ATOM 537 NH1 ARG A 38 -10.759 2.208 -0.742 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -12.685 3.271 -0.092 1.00 0.00 N ATOM 0 H ARG A 38 -11.242 -2.576 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.451 -2.798 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.365 -0.689 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.801 -0.365 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.723 -0.447 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.128 0.999 1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.111 -0.348 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.176 -0.964 0.886 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.194 1.128 1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.162 1.381 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.468 3.047 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.574 3.264 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.389 4.108 -0.595 1.00 0.00 H new ATOM 552 N GLU A 39 -9.499 -2.608 3.346 1.00 0.00 N ATOM 553 CA GLU A 39 -10.021 -3.133 4.602 1.00 0.00 C ATOM 554 C GLU A 39 -9.500 -2.328 5.788 1.00 0.00 C ATOM 555 O GLU A 39 -8.571 -1.531 5.650 1.00 0.00 O ATOM 556 CB GLU A 39 -9.636 -4.605 4.762 1.00 0.00 C ATOM 557 CG GLU A 39 -10.716 -5.448 5.421 1.00 0.00 C ATOM 558 CD GLU A 39 -12.045 -5.362 4.698 1.00 0.00 C ATOM 559 OE1 GLU A 39 -12.253 -6.137 3.741 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -12.880 -4.518 5.089 1.00 0.00 O ATOM 0 H GLU A 39 -8.692 -1.993 3.448 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.107 -3.048 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.410 -5.022 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.723 -4.671 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.391 -6.488 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.846 -5.123 6.453 1.00 0.00 H new ATOM 567 N HIS A 40 -10.104 -2.541 6.952 1.00 0.00 N ATOM 568 CA HIS A 40 -9.701 -1.836 8.164 1.00 0.00 C ATOM 569 C HIS A 40 -9.076 -2.798 9.172 1.00 0.00 C ATOM 570 O HIS A 40 -9.776 -3.390 9.993 1.00 0.00 O ATOM 571 CB HIS A 40 -10.906 -1.134 8.793 1.00 0.00 C ATOM 572 CG HIS A 40 -12.030 -2.063 9.132 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.912 -2.553 8.192 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.414 -2.594 10.318 1.00 0.00 C ATOM 575 CE1 HIS A 40 -13.790 -3.344 8.784 1.00 0.00 C ATOM 576 NE2 HIS A 40 -13.509 -3.386 10.073 1.00 0.00 N ATOM 0 H HIS A 40 -10.875 -3.196 7.082 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.955 -1.090 7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.585 -0.620 9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.271 -0.371 8.106 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.946 -2.426 11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.599 -3.867 8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.022 -3.920 10.774 1.00 0.00 H new ATOM 585 N PRO A 41 -7.742 -2.967 9.124 1.00 0.00 N ATOM 586 CA PRO A 41 -7.028 -3.863 10.039 1.00 0.00 C ATOM 587 C PRO A 41 -7.037 -3.352 11.476 1.00 0.00 C ATOM 588 O PRO A 41 -7.565 -2.276 11.759 1.00 0.00 O ATOM 589 CB PRO A 41 -5.601 -3.878 9.486 1.00 0.00 C ATOM 590 CG PRO A 41 -5.467 -2.593 8.744 1.00 0.00 C ATOM 591 CD PRO A 41 -6.828 -2.300 8.178 1.00 0.00 C ATOM 0 HA PRO A 41 -7.491 -4.849 10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.867 -3.950 10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.440 -4.733 8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.139 -1.792 9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.724 -2.676 7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.018 -1.228 8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.937 -2.695 7.168 1.00 0.00 H new ATOM 599 N ILE A 42 -6.450 -4.130 12.379 1.00 0.00 N ATOM 600 CA ILE A 42 -6.391 -3.756 13.787 1.00 0.00 C ATOM 601 C ILE A 42 -5.195 -2.851 14.066 1.00 0.00 C ATOM 602 O ILE A 42 -4.227 -2.831 13.305 1.00 0.00 O ATOM 603 CB ILE A 42 -6.309 -5.001 14.695 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.375 -4.594 16.168 1.00 0.00 C ATOM 605 CG2 ILE A 42 -5.035 -5.783 14.411 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.731 -5.736 17.095 1.00 0.00 C ATOM 0 H ILE A 42 -6.008 -5.023 12.161 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.310 -3.214 14.011 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.162 -5.644 14.479 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.411 -4.182 16.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.112 -3.799 16.284 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.993 -6.658 15.060 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.029 -6.103 13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.169 -5.149 14.600 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.760 -5.375 18.123 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.708 -6.134 16.823 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.982 -6.523 17.008 1.00 0.00 H new ATOM 618 N MET A 43 -5.269 -2.102 15.162 1.00 0.00 N ATOM 619 CA MET A 43 -4.193 -1.194 15.544 1.00 0.00 C ATOM 620 C MET A 43 -2.882 -1.951 15.732 1.00 0.00 C ATOM 621 O MET A 43 -2.816 -3.162 15.521 1.00 0.00 O ATOM 622 CB MET A 43 -4.556 -0.454 16.832 1.00 0.00 C ATOM 623 CG MET A 43 -4.959 -1.376 17.971 1.00 0.00 C ATOM 624 SD MET A 43 -6.307 -0.707 18.964 1.00 0.00 S ATOM 625 CE MET A 43 -7.521 -2.015 18.811 1.00 0.00 C ATOM 0 H MET A 43 -6.064 -2.106 15.802 1.00 0.00 H new ATOM 0 HA MET A 43 -4.061 -0.469 14.741 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.704 0.148 17.147 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.375 0.235 16.627 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.258 -2.341 17.563 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.095 -1.555 18.611 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.402 -1.765 19.402 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.805 -2.127 17.765 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.095 -2.951 19.173 1.00 0.00 H new ATOM 635 N GLY A 44 -1.839 -1.229 16.129 1.00 0.00 N ATOM 636 CA GLY A 44 -0.544 -1.849 16.339 1.00 0.00 C ATOM 637 C GLY A 44 0.602 -0.872 16.163 1.00 0.00 C ATOM 638 O GLY A 44 0.472 0.128 15.457 1.00 0.00 O ATOM 0 H GLY A 44 -1.868 -0.225 16.309 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.506 -2.272 17.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.423 -2.676 15.640 1.00 0.00 H new ATOM 642 N GLY A 45 1.728 -1.162 16.807 1.00 0.00 N ATOM 643 CA GLY A 45 2.886 -0.293 16.705 1.00 0.00 C ATOM 644 C GLY A 45 3.693 -0.548 15.447 1.00 0.00 C ATOM 645 O GLY A 45 3.282 -1.324 14.584 1.00 0.00 O ATOM 0 H GLY A 45 1.859 -1.983 17.398 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.559 0.747 16.719 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.523 -0.438 17.577 1.00 0.00 H new ATOM 649 N ILE A 46 4.846 0.106 15.343 1.00 0.00 N ATOM 650 CA ILE A 46 5.713 -0.054 14.182 1.00 0.00 C ATOM 651 C ILE A 46 6.453 -1.388 14.228 1.00 0.00 C ATOM 652 O ILE A 46 7.681 -1.427 14.308 1.00 0.00 O ATOM 653 CB ILE A 46 6.740 1.092 14.086 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.046 2.445 14.254 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.479 1.031 12.758 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.015 2.732 13.185 1.00 0.00 C ATOM 0 H ILE A 46 5.201 0.751 16.049 1.00 0.00 H new ATOM 0 HA ILE A 46 5.072 -0.030 13.301 1.00 0.00 H new ATOM 0 HB ILE A 46 7.467 0.976 14.890 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.564 2.478 15.231 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.798 3.234 14.243 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.200 1.846 12.705 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.002 0.078 12.676 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.765 1.125 11.940 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.564 3.707 13.367 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.496 2.732 12.207 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.242 1.964 13.210 1.00 0.00 H new ATOM 668 N TYR A 47 5.697 -2.480 14.178 1.00 0.00 N ATOM 669 CA TYR A 47 6.279 -3.817 14.214 1.00 0.00 C ATOM 670 C TYR A 47 5.194 -4.885 14.134 1.00 0.00 C ATOM 671 O TYR A 47 5.253 -5.783 13.294 1.00 0.00 O ATOM 672 CB TYR A 47 7.101 -4.006 15.491 1.00 0.00 C ATOM 673 CG TYR A 47 8.347 -4.839 15.292 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.312 -6.221 15.437 1.00 0.00 C ATOM 675 CD2 TYR A 47 9.558 -4.245 14.959 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.448 -6.986 15.256 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.698 -5.004 14.775 1.00 0.00 C ATOM 678 CZ TYR A 47 10.638 -6.373 14.926 1.00 0.00 C ATOM 679 OH TYR A 47 11.772 -7.132 14.745 1.00 0.00 O ATOM 0 H TYR A 47 4.679 -2.465 14.112 1.00 0.00 H new ATOM 0 HA TYR A 47 6.934 -3.923 13.349 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.386 -3.028 15.877 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.476 -4.478 16.249 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.382 -6.705 15.695 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.609 -3.173 14.842 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.404 -8.059 15.372 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.631 -4.527 14.514 1.00 0.00 H new ATOM 0 HH TYR A 47 12.524 -6.547 14.516 1.00 0.00 H new ATOM 689 N ASP A 48 4.203 -4.782 15.014 1.00 0.00 N ATOM 690 CA ASP A 48 3.103 -5.740 15.044 1.00 0.00 C ATOM 691 C ASP A 48 2.203 -5.574 13.824 1.00 0.00 C ATOM 692 O ASP A 48 1.817 -4.460 13.471 1.00 0.00 O ATOM 693 CB ASP A 48 2.284 -5.566 16.324 1.00 0.00 C ATOM 694 CG ASP A 48 2.764 -6.468 17.444 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.317 -7.633 17.501 1.00 0.00 O ATOM 696 OD2 ASP A 48 3.586 -6.009 18.265 1.00 0.00 O1- ATOM 0 H ASP A 48 4.139 -4.045 15.716 1.00 0.00 H new ATOM 0 HA ASP A 48 3.527 -6.744 15.025 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.339 -4.527 16.649 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.236 -5.779 16.113 1.00 0.00 H new ATOM 701 N ALA A 49 1.870 -6.691 13.185 1.00 0.00 N ATOM 702 CA ALA A 49 1.014 -6.669 12.006 1.00 0.00 C ATOM 703 C ALA A 49 0.616 -8.082 11.588 1.00 0.00 C ATOM 704 O ALA A 49 1.019 -8.562 10.528 1.00 0.00 O ATOM 705 CB ALA A 49 1.713 -5.953 10.860 1.00 0.00 C ATOM 0 H ALA A 49 2.180 -7.622 13.464 1.00 0.00 H new ATOM 0 HA ALA A 49 0.104 -6.125 12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.062 -5.944 9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.939 -4.928 11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.640 -6.473 10.617 1.00 0.00 H new ATOM 711 N PRO A 50 -0.188 -8.770 12.417 1.00 0.00 N ATOM 712 CA PRO A 50 -0.640 -10.133 12.124 1.00 0.00 C ATOM 713 C PRO A 50 -1.278 -10.241 10.744 1.00 0.00 C ATOM 714 O PRO A 50 -1.218 -11.288 10.100 1.00 0.00 O ATOM 715 CB PRO A 50 -1.676 -10.410 13.216 1.00 0.00 C ATOM 716 CG PRO A 50 -1.294 -9.507 14.338 1.00 0.00 C ATOM 717 CD PRO A 50 -0.719 -8.274 13.700 1.00 0.00 C ATOM 0 HA PRO A 50 0.186 -10.844 12.116 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.687 -10.200 12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.656 -11.455 13.525 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.160 -9.261 14.953 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.564 -9.984 14.992 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.479 -7.507 13.551 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.064 -7.831 14.315 1.00 0.00 H new ATOM 725 N LEU A 51 -1.888 -9.148 10.297 1.00 0.00 N ATOM 726 CA LEU A 51 -2.539 -9.109 8.992 1.00 0.00 C ATOM 727 C LEU A 51 -3.519 -10.269 8.833 1.00 0.00 C ATOM 728 O LEU A 51 -3.240 -11.241 8.131 1.00 0.00 O ATOM 729 CB LEU A 51 -1.491 -9.145 7.876 1.00 0.00 C ATOM 730 CG LEU A 51 -1.788 -8.239 6.679 1.00 0.00 C ATOM 731 CD1 LEU A 51 -0.522 -7.538 6.209 1.00 0.00 C ATOM 732 CD2 LEU A 51 -2.406 -9.042 5.543 1.00 0.00 C ATOM 0 H LEU A 51 -1.945 -8.275 10.821 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.101 -8.178 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.526 -8.862 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.396 -10.171 7.521 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.503 -7.479 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.755 -6.899 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.120 -6.930 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.217 -8.282 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.611 -8.382 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.714 -9.824 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.337 -9.496 5.883 1.00 0.00 H new ATOM 744 N ASN A 52 -4.669 -10.159 9.491 1.00 0.00 N ATOM 745 CA ASN A 52 -5.692 -11.197 9.426 1.00 0.00 C ATOM 746 C ASN A 52 -6.127 -11.445 7.985 1.00 0.00 C ATOM 747 O ASN A 52 -6.418 -12.577 7.600 1.00 0.00 O ATOM 748 CB ASN A 52 -6.902 -10.804 10.276 1.00 0.00 C ATOM 749 CG ASN A 52 -7.534 -11.996 10.967 1.00 0.00 C ATOM 750 OD1 ASN A 52 -7.758 -13.039 10.351 1.00 0.00 O ATOM 751 ND2 ASN A 52 -7.828 -11.848 12.253 1.00 0.00 N ATOM 0 H ASN A 52 -4.916 -9.361 10.076 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.263 -12.119 9.820 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.595 -10.074 11.025 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.645 -10.318 9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.257 -12.616 12.770 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.625 -10.966 12.724 1.00 0.00 H new ATOM 758 N ASN A 53 -6.169 -10.378 7.194 1.00 0.00 N ATOM 759 CA ASN A 53 -6.568 -10.480 5.795 1.00 0.00 C ATOM 760 C ASN A 53 -5.350 -10.678 4.896 1.00 0.00 C ATOM 761 O ASN A 53 -5.190 -9.992 3.886 1.00 0.00 O ATOM 762 CB ASN A 53 -7.340 -9.227 5.373 1.00 0.00 C ATOM 763 CG ASN A 53 -8.643 -9.560 4.672 1.00 0.00 C ATOM 764 OD1 ASN A 53 -8.652 -10.233 3.641 1.00 0.00 O ATOM 765 ND2 ASN A 53 -9.752 -9.089 5.230 1.00 0.00 N ATOM 0 H ASN A 53 -5.932 -9.434 7.498 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.217 -11.349 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.549 -8.619 6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.717 -8.626 4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.659 -9.281 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.697 -8.535 6.085 1.00 0.00 H new ATOM 772 N GLU A 54 -4.493 -11.623 5.270 1.00 0.00 N ATOM 773 CA GLU A 54 -3.289 -11.913 4.499 1.00 0.00 C ATOM 774 C GLU A 54 -3.529 -13.047 3.504 1.00 0.00 C ATOM 775 O GLU A 54 -2.581 -13.643 2.992 1.00 0.00 O ATOM 776 CB GLU A 54 -2.137 -12.279 5.436 1.00 0.00 C ATOM 777 CG GLU A 54 -2.376 -13.556 6.226 1.00 0.00 C ATOM 778 CD GLU A 54 -1.790 -14.779 5.549 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.566 -14.790 5.299 1.00 0.00 O ATOM 780 OE2 GLU A 54 -2.554 -15.726 5.268 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.610 -12.201 6.102 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.026 -11.016 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.225 -12.390 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.971 -11.457 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.940 -13.451 7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.448 -13.699 6.362 1.00 0.00 H new ATOM 787 N ASN A 55 -4.797 -13.341 3.230 1.00 0.00 N ATOM 788 CA ASN A 55 -5.150 -14.403 2.294 1.00 0.00 C ATOM 789 C ASN A 55 -4.547 -14.137 0.918 1.00 0.00 C ATOM 790 O ASN A 55 -4.244 -15.068 0.172 1.00 0.00 O ATOM 791 CB ASN A 55 -6.670 -14.529 2.182 1.00 0.00 C ATOM 792 CG ASN A 55 -7.350 -14.562 3.537 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.420 -15.607 4.184 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.855 -13.414 3.973 1.00 0.00 N ATOM 0 H ASN A 55 -5.596 -12.859 3.642 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.743 -15.339 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.059 -13.691 1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.917 -15.438 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.324 -13.374 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.774 -12.572 3.403 1.00 0.00 H new ATOM 801 N GLY A 56 -4.375 -12.861 0.590 1.00 0.00 N ATOM 802 CA GLY A 56 -3.808 -12.495 -0.694 1.00 0.00 C ATOM 803 C GLY A 56 -4.606 -11.411 -1.392 1.00 0.00 C ATOM 804 O GLY A 56 -4.036 -10.510 -2.009 1.00 0.00 O ATOM 0 H GLY A 56 -4.618 -12.074 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.783 -12.152 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.763 -13.377 -1.333 1.00 0.00 H new ATOM 808 N PHE A 57 -5.928 -11.497 -1.296 1.00 0.00 N ATOM 809 CA PHE A 57 -6.807 -10.517 -1.923 1.00 0.00 C ATOM 810 C PHE A 57 -6.610 -9.135 -1.308 1.00 0.00 C ATOM 811 O PHE A 57 -6.329 -8.166 -2.013 1.00 0.00 O ATOM 812 CB PHE A 57 -8.268 -10.947 -1.782 1.00 0.00 C ATOM 813 CG PHE A 57 -8.564 -12.280 -2.409 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.842 -12.376 -3.763 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.565 -13.435 -1.644 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.115 -13.601 -4.343 1.00 0.00 C ATOM 817 CE2 PHE A 57 -8.838 -14.662 -2.218 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.113 -14.745 -3.569 1.00 0.00 C ATOM 0 H PHE A 57 -6.415 -12.236 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.552 -10.463 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.526 -10.987 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.907 -10.190 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.845 -11.484 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.350 -13.376 -0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.329 -13.663 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.836 -15.555 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.326 -15.703 -4.020 1.00 0.00 H new ATOM 828 N ASP A 58 -6.760 -9.052 0.010 1.00 0.00 N ATOM 829 CA ASP A 58 -6.600 -7.788 0.722 1.00 0.00 C ATOM 830 C ASP A 58 -5.228 -7.178 0.452 1.00 0.00 C ATOM 831 O ASP A 58 -5.120 -6.020 0.048 1.00 0.00 O ATOM 832 CB ASP A 58 -6.789 -8.000 2.226 1.00 0.00 C ATOM 833 CG ASP A 58 -7.533 -6.853 2.882 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.407 -6.256 2.219 1.00 0.00 O ATOM 835 OD2 ASP A 58 -7.241 -6.552 4.058 1.00 0.00 O1- ATOM 0 H ASP A 58 -6.992 -9.845 0.607 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.361 -7.097 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.336 -8.928 2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.814 -8.115 2.699 1.00 0.00 H new ATOM 840 N LYS A 59 -4.184 -7.966 0.680 1.00 0.00 N ATOM 841 CA LYS A 59 -2.817 -7.507 0.464 1.00 0.00 C ATOM 842 C LYS A 59 -2.604 -7.086 -0.988 1.00 0.00 C ATOM 843 O LYS A 59 -1.877 -6.133 -1.269 1.00 0.00 O ATOM 844 CB LYS A 59 -1.823 -8.610 0.846 1.00 0.00 C ATOM 845 CG LYS A 59 -1.711 -9.723 -0.185 1.00 0.00 C ATOM 846 CD LYS A 59 -0.649 -10.741 0.202 1.00 0.00 C ATOM 847 CE LYS A 59 0.334 -10.981 -0.933 1.00 0.00 C ATOM 848 NZ LYS A 59 0.741 -12.411 -1.023 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.258 -8.927 1.015 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.645 -6.638 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.839 -8.164 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.123 -9.041 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.674 -10.223 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.468 -9.295 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.111 -10.390 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.128 -11.681 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.118 -10.672 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.218 -10.361 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.411 -12.532 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.195 -12.699 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.099 -13.001 -1.190 1.00 0.00 H new ATOM 862 N GLU A 60 -3.237 -7.809 -1.906 1.00 0.00 N ATOM 863 CA GLU A 60 -3.113 -7.518 -3.329 1.00 0.00 C ATOM 864 C GLU A 60 -3.683 -6.143 -3.665 1.00 0.00 C ATOM 865 O GLU A 60 -2.972 -5.272 -4.165 1.00 0.00 O ATOM 866 CB GLU A 60 -3.825 -8.592 -4.154 1.00 0.00 C ATOM 867 CG GLU A 60 -2.964 -9.812 -4.437 1.00 0.00 C ATOM 868 CD GLU A 60 -2.400 -9.813 -5.845 1.00 0.00 C ATOM 869 OE1 GLU A 60 -3.191 -9.674 -6.801 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -1.168 -9.954 -5.990 1.00 0.00 O ATOM 0 H GLU A 60 -3.842 -8.601 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.052 -7.517 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.725 -8.907 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.147 -8.157 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.143 -9.847 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.557 -10.714 -4.286 1.00 0.00 H new ATOM 877 N ASP A 61 -4.972 -5.956 -3.396 1.00 0.00 N ATOM 878 CA ASP A 61 -5.635 -4.687 -3.679 1.00 0.00 C ATOM 879 C ASP A 61 -4.930 -3.529 -2.982 1.00 0.00 C ATOM 880 O ASP A 61 -4.768 -2.455 -3.558 1.00 0.00 O ATOM 881 CB ASP A 61 -7.102 -4.742 -3.248 1.00 0.00 C ATOM 882 CG ASP A 61 -7.275 -5.196 -1.812 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.823 -4.472 -0.900 1.00 0.00 O ATOM 884 OD2 ASP A 61 -7.869 -6.273 -1.601 1.00 0.00 O1- ATOM 0 H ASP A 61 -5.577 -6.666 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.586 -4.519 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.549 -3.755 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.644 -5.420 -3.907 1.00 0.00 H new ATOM 889 N LEU A 62 -4.517 -3.751 -1.740 1.00 0.00 N ATOM 890 CA LEU A 62 -3.832 -2.717 -0.971 1.00 0.00 C ATOM 891 C LEU A 62 -2.528 -2.302 -1.648 1.00 0.00 C ATOM 892 O LEU A 62 -2.300 -1.120 -1.904 1.00 0.00 O ATOM 893 CB LEU A 62 -3.549 -3.207 0.451 1.00 0.00 C ATOM 894 CG LEU A 62 -2.716 -2.257 1.318 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.168 -0.815 1.131 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.812 -2.656 2.782 1.00 0.00 C ATOM 0 H LEU A 62 -4.643 -4.634 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.487 -1.847 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.500 -3.388 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.032 -4.165 0.391 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.675 -2.331 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.562 -0.160 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.050 -0.529 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.216 -0.722 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.215 -1.972 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.852 -2.611 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.437 -3.672 2.908 1.00 0.00 H new ATOM 908 N ALA A 63 -1.676 -3.281 -1.934 1.00 0.00 N ATOM 909 CA ALA A 63 -0.395 -3.014 -2.580 1.00 0.00 C ATOM 910 C ALA A 63 -0.586 -2.275 -3.901 1.00 0.00 C ATOM 911 O ALA A 63 -0.005 -1.211 -4.119 1.00 0.00 O ATOM 912 CB ALA A 63 0.365 -4.314 -2.805 1.00 0.00 C ATOM 0 H ALA A 63 -1.849 -4.265 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 63 0.189 -2.374 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.318 -4.099 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.545 -4.801 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.224 -4.974 -3.442 1.00 0.00 H new ATOM 918 N ARG A 64 -1.407 -2.843 -4.779 1.00 0.00 N ATOM 919 CA ARG A 64 -1.677 -2.236 -6.078 1.00 0.00 C ATOM 920 C ARG A 64 -2.322 -0.864 -5.912 1.00 0.00 C ATOM 921 O ARG A 64 -2.019 0.069 -6.655 1.00 0.00 O ATOM 922 CB ARG A 64 -2.587 -3.143 -6.909 1.00 0.00 C ATOM 923 CG ARG A 64 -2.388 -2.994 -8.408 1.00 0.00 C ATOM 924 CD ARG A 64 -2.675 -1.575 -8.870 1.00 0.00 C ATOM 925 NE ARG A 64 -3.241 -1.541 -10.217 1.00 0.00 N ATOM 926 CZ ARG A 64 -2.551 -1.830 -11.318 1.00 0.00 C ATOM 927 NH1 ARG A 64 -1.272 -2.174 -11.237 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.142 -1.775 -12.503 1.00 0.00 N ATOM 0 H ARG A 64 -1.897 -3.723 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.727 -2.111 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.406 -4.181 -6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.626 -2.923 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.364 -3.262 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.043 -3.688 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.367 -1.100 -8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.753 -0.994 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.222 -1.281 -10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.812 -2.218 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.749 -2.394 -12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.125 -1.511 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.614 -1.996 -13.347 1.00 0.00 H new ATOM 942 N PHE A 65 -3.212 -0.750 -4.931 1.00 0.00 N ATOM 943 CA PHE A 65 -3.901 0.506 -4.664 1.00 0.00 C ATOM 944 C PHE A 65 -2.902 1.624 -4.385 1.00 0.00 C ATOM 945 O PHE A 65 -2.890 2.642 -5.075 1.00 0.00 O ATOM 946 CB PHE A 65 -4.855 0.346 -3.477 1.00 0.00 C ATOM 947 CG PHE A 65 -5.574 1.612 -3.105 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.451 2.214 -3.993 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.371 2.200 -1.866 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.113 3.378 -3.653 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.030 3.364 -1.521 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.902 3.954 -2.415 1.00 0.00 C ATOM 0 H PHE A 65 -3.473 -1.514 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.478 0.773 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.590 -0.423 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.291 -0.008 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.619 1.768 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.690 1.743 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.794 3.837 -4.354 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.863 3.812 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.418 4.864 -2.147 1.00 0.00 H new ATOM 962 N ALA A 66 -2.065 1.426 -3.372 1.00 0.00 N ATOM 963 CA ALA A 66 -1.060 2.417 -3.005 1.00 0.00 C ATOM 964 C ALA A 66 -0.129 2.710 -4.177 1.00 0.00 C ATOM 965 O ALA A 66 0.040 3.863 -4.580 1.00 0.00 O ATOM 966 CB ALA A 66 -0.262 1.941 -1.800 1.00 0.00 C ATOM 0 H ALA A 66 -2.063 0.588 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.575 3.341 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.484 2.691 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.934 1.788 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.237 1.002 -2.042 1.00 0.00 H new ATOM 972 N VAL A 67 0.471 1.658 -4.725 1.00 0.00 N ATOM 973 CA VAL A 67 1.384 1.802 -5.852 1.00 0.00 C ATOM 974 C VAL A 67 0.744 2.619 -6.971 1.00 0.00 C ATOM 975 O VAL A 67 1.326 3.589 -7.457 1.00 0.00 O ATOM 976 CB VAL A 67 1.810 0.429 -6.409 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.830 0.595 -7.526 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.364 -0.451 -5.298 1.00 0.00 C ATOM 0 H VAL A 67 0.341 0.698 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 67 2.267 2.323 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 67 0.929 -0.061 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.117 -0.386 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.393 1.182 -8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.711 1.107 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.659 -1.416 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.232 0.033 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.598 -0.601 -4.537 1.00 0.00 H new ATOM 988 N ARG A 68 -0.459 2.223 -7.370 1.00 0.00 N ATOM 989 CA ARG A 68 -1.181 2.920 -8.426 1.00 0.00 C ATOM 990 C ARG A 68 -1.576 4.324 -7.975 1.00 0.00 C ATOM 991 O ARG A 68 -1.703 5.235 -8.793 1.00 0.00 O ATOM 992 CB ARG A 68 -2.425 2.125 -8.829 1.00 0.00 C ATOM 993 CG ARG A 68 -3.285 2.821 -9.872 1.00 0.00 C ATOM 994 CD ARG A 68 -4.022 1.818 -10.745 1.00 0.00 C ATOM 995 NE ARG A 68 -3.336 1.588 -12.014 1.00 0.00 N ATOM 996 CZ ARG A 68 -3.915 1.041 -13.081 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.187 0.667 -13.036 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.218 0.868 -14.196 1.00 0.00 N ATOM 0 H ARG A 68 -0.955 1.423 -6.978 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.523 3.009 -9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.115 1.154 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.028 1.937 -7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.005 3.472 -9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.658 3.457 -10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.119 0.874 -10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.032 2.180 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.356 1.862 -12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.727 0.798 -12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.625 0.249 -13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.240 1.154 -14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.660 0.449 -15.014 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.766 4.492 -6.669 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.143 5.786 -6.112 1.00 0.00 C ATOM 1014 C GLU A 69 -1.034 6.810 -6.328 1.00 0.00 C ATOM 1015 O GLU A 69 -1.295 7.954 -6.701 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.449 5.651 -4.618 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.872 6.040 -4.251 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.237 7.432 -4.729 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -3.314 8.234 -4.982 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -5.446 7.719 -4.850 1.00 0.00 O ATOM 0 H GLU A 69 -1.665 3.749 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.039 6.132 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.272 4.620 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.754 6.275 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.565 5.318 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.991 5.988 -3.169 1.00 0.00 H new ATOM 1027 N TYR A 70 0.203 6.391 -6.091 1.00 0.00 N ATOM 1028 CA TYR A 70 1.352 7.274 -6.261 1.00 0.00 C ATOM 1029 C TYR A 70 1.877 7.225 -7.696 1.00 0.00 C ATOM 1030 O TYR A 70 2.597 8.122 -8.134 1.00 0.00 O ATOM 1031 CB TYR A 70 2.461 6.893 -5.271 1.00 0.00 C ATOM 1032 CG TYR A 70 3.480 5.918 -5.823 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.555 6.363 -6.583 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.365 4.555 -5.587 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.486 5.477 -7.090 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.292 3.662 -6.091 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.350 4.128 -6.842 1.00 0.00 C ATOM 1038 OH TYR A 70 6.275 3.243 -7.346 1.00 0.00 O ATOM 0 H TYR A 70 0.437 5.448 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 70 1.031 8.295 -6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.977 7.800 -4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.005 6.459 -4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.665 7.419 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.537 4.186 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.316 5.840 -7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.188 2.605 -5.897 1.00 0.00 H new ATOM 0 HH TYR A 70 6.537 2.610 -6.646 1.00 0.00 H new ATOM 1048 N ASN A 71 1.524 6.166 -8.418 1.00 0.00 N ATOM 1049 CA ASN A 71 1.971 5.997 -9.797 1.00 0.00 C ATOM 1050 C ASN A 71 1.059 6.727 -10.780 1.00 0.00 C ATOM 1051 O ASN A 71 1.488 7.101 -11.872 1.00 0.00 O ATOM 1052 CB ASN A 71 2.034 4.510 -10.151 1.00 0.00 C ATOM 1053 CG ASN A 71 3.338 3.871 -9.718 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.379 3.109 -8.752 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.415 4.181 -10.431 1.00 0.00 N ATOM 0 H ASN A 71 0.930 5.412 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 71 2.967 6.433 -9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.202 3.990 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.913 4.390 -11.228 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.321 3.783 -10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.336 4.817 -11.224 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.198 6.924 -10.396 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.157 7.605 -11.261 1.00 0.00 C ATOM 1064 C ASN A 72 -1.019 9.123 -11.153 1.00 0.00 C ATOM 1065 O ASN A 72 -1.203 9.844 -12.133 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.588 7.172 -10.916 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.190 7.959 -9.765 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.820 8.997 -9.971 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -2.997 7.469 -8.547 1.00 0.00 N ATOM 0 H ASN A 72 -0.576 6.624 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.942 7.321 -12.291 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.219 7.290 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.589 6.112 -10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.377 7.956 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.469 6.605 -8.423 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.700 9.600 -9.954 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.544 11.033 -9.715 1.00 0.00 C ATOM 1078 C LYS A 73 0.409 11.667 -10.726 1.00 0.00 C ATOM 1079 O LYS A 73 0.144 12.753 -11.242 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.043 11.293 -8.292 1.00 0.00 C ATOM 1081 CG LYS A 73 1.007 10.302 -7.821 1.00 0.00 C ATOM 1082 CD LYS A 73 1.671 10.763 -6.534 1.00 0.00 C ATOM 1083 CE LYS A 73 3.153 10.424 -6.519 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.958 11.484 -5.851 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.544 9.016 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.525 11.493 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.372 12.300 -8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.891 11.263 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.545 9.328 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.763 10.175 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.542 11.840 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.181 10.293 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.303 9.475 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.505 10.291 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.963 11.215 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.835 12.384 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.639 11.594 -4.867 1.00 0.00 H new ATOM 1098 N ASN A 74 1.517 10.986 -11.007 1.00 0.00 N ATOM 1099 CA ASN A 74 2.500 11.494 -11.958 1.00 0.00 C ATOM 1100 C ASN A 74 3.634 10.493 -12.174 1.00 0.00 C ATOM 1101 O ASN A 74 4.137 10.343 -13.288 1.00 0.00 O ATOM 1102 CB ASN A 74 3.066 12.835 -11.475 1.00 0.00 C ATOM 1103 CG ASN A 74 4.066 12.679 -10.343 1.00 0.00 C ATOM 1104 OD1 ASN A 74 5.233 13.047 -10.476 1.00 0.00 O ATOM 1105 ND2 ASN A 74 3.613 12.131 -9.222 1.00 0.00 N ATOM 0 H ASN A 74 1.755 10.085 -10.592 1.00 0.00 H new ATOM 0 HA ASN A 74 1.994 11.643 -12.912 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.547 13.343 -12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.246 13.472 -11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.240 12.001 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.638 11.840 -9.154 1.00 0.00 H new ATOM 1112 N ASN A 75 4.037 9.818 -11.101 1.00 0.00 N ATOM 1113 CA ASN A 75 5.118 8.837 -11.169 1.00 0.00 C ATOM 1114 C ASN A 75 4.940 7.894 -12.358 1.00 0.00 C ATOM 1115 O ASN A 75 3.894 7.885 -13.005 1.00 0.00 O ATOM 1116 CB ASN A 75 5.186 8.033 -9.869 1.00 0.00 C ATOM 1117 CG ASN A 75 6.595 7.949 -9.315 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.029 8.815 -8.556 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.318 6.901 -9.693 1.00 0.00 N ATOM 0 H ASN A 75 3.631 9.932 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 75 6.053 9.380 -11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.533 8.492 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.808 7.026 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.273 6.791 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.918 6.206 -10.324 1.00 0.00 H new ATOM 1126 N ALA A 76 5.973 7.104 -12.639 1.00 0.00 N ATOM 1127 CA ALA A 76 5.935 6.160 -13.749 1.00 0.00 C ATOM 1128 C ALA A 76 4.771 5.185 -13.608 1.00 0.00 C ATOM 1129 O ALA A 76 3.917 5.345 -12.736 1.00 0.00 O ATOM 1130 CB ALA A 76 7.251 5.402 -13.841 1.00 0.00 C ATOM 0 H ALA A 76 6.846 7.100 -12.112 1.00 0.00 H new ATOM 0 HA ALA A 76 5.787 6.727 -14.668 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.209 4.700 -14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.067 6.107 -14.001 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.421 4.855 -12.914 1.00 0.00 H new ATOM 1136 N LEU A 77 4.744 4.175 -14.472 1.00 0.00 N ATOM 1137 CA LEU A 77 3.685 3.173 -14.445 1.00 0.00 C ATOM 1138 C LEU A 77 4.265 1.771 -14.289 1.00 0.00 C ATOM 1139 O LEU A 77 4.553 1.094 -15.276 1.00 0.00 O ATOM 1140 CB LEU A 77 2.845 3.255 -15.723 1.00 0.00 C ATOM 1141 CG LEU A 77 1.333 3.168 -15.510 1.00 0.00 C ATOM 1142 CD1 LEU A 77 0.975 1.920 -14.719 1.00 0.00 C ATOM 1143 CD2 LEU A 77 0.823 4.415 -14.802 1.00 0.00 C ATOM 0 H LEU A 77 5.444 4.029 -15.200 1.00 0.00 H new ATOM 0 HA LEU A 77 3.046 3.377 -13.586 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.072 4.193 -16.229 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.149 2.450 -16.392 1.00 0.00 H new ATOM 0 HG LEU A 77 0.851 3.104 -16.486 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.105 1.876 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.306 1.036 -15.264 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.467 1.952 -13.747 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.255 4.337 -14.658 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.312 4.509 -13.833 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.045 5.294 -15.407 1.00 0.00 H new ATOM 1155 N LEU A 78 4.431 1.341 -13.043 1.00 0.00 N ATOM 1156 CA LEU A 78 4.974 0.018 -12.755 1.00 0.00 C ATOM 1157 C LEU A 78 3.880 -0.914 -12.241 1.00 0.00 C ATOM 1158 O LEU A 78 2.710 -0.538 -12.186 1.00 0.00 O ATOM 1159 CB LEU A 78 6.106 0.117 -11.728 1.00 0.00 C ATOM 1160 CG LEU A 78 5.944 1.226 -10.686 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.704 0.985 -9.840 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.184 1.318 -9.809 1.00 0.00 C ATOM 0 H LEU A 78 4.197 1.890 -12.216 1.00 0.00 H new ATOM 0 HA LEU A 78 5.374 -0.395 -13.681 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.189 -0.838 -11.209 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.045 0.274 -12.259 1.00 0.00 H new ATOM 0 HG LEU A 78 5.823 2.175 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.605 1.783 -9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.823 0.971 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.794 0.028 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.052 2.112 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.337 0.369 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.053 1.539 -10.429 1.00 0.00 H new ATOM 1174 N GLU A 79 4.265 -2.131 -11.867 1.00 0.00 N ATOM 1175 CA GLU A 79 3.308 -3.108 -11.363 1.00 0.00 C ATOM 1176 C GLU A 79 3.886 -3.893 -10.190 1.00 0.00 C ATOM 1177 O GLU A 79 5.026 -4.355 -10.240 1.00 0.00 O ATOM 1178 CB GLU A 79 2.895 -4.070 -12.479 1.00 0.00 C ATOM 1179 CG GLU A 79 1.750 -3.552 -13.335 1.00 0.00 C ATOM 1180 CD GLU A 79 1.657 -4.260 -14.672 1.00 0.00 C ATOM 1181 OE1 GLU A 79 1.630 -5.509 -14.683 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 1.610 -3.566 -15.709 1.00 0.00 O ATOM 0 H GLU A 79 5.229 -2.462 -11.904 1.00 0.00 H new ATOM 0 HA GLU A 79 2.430 -2.566 -11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.757 -4.264 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.605 -5.023 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.812 -3.678 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.881 -2.483 -13.502 1.00 0.00 H new ATOM 1189 N PHE A 80 3.089 -4.043 -9.136 1.00 0.00 N ATOM 1190 CA PHE A 80 3.516 -4.776 -7.950 1.00 0.00 C ATOM 1191 C PHE A 80 3.357 -6.281 -8.160 1.00 0.00 C ATOM 1192 O PHE A 80 2.470 -6.724 -8.889 1.00 0.00 O ATOM 1193 CB PHE A 80 2.719 -4.311 -6.722 1.00 0.00 C ATOM 1194 CG PHE A 80 1.571 -5.212 -6.353 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.373 -5.150 -7.045 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.697 -6.123 -5.317 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.680 -5.981 -6.711 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.649 -6.955 -4.977 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.541 -6.885 -5.675 1.00 0.00 C ATOM 0 H PHE A 80 2.143 -3.666 -9.080 1.00 0.00 H new ATOM 0 HA PHE A 80 4.572 -4.569 -7.776 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.396 -4.237 -5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.333 -3.309 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.260 -4.444 -7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.626 -6.183 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.609 -5.924 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.759 -7.660 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.362 -7.536 -5.411 1.00 0.00 H new ATOM 1209 N VAL A 81 4.219 -7.061 -7.516 1.00 0.00 N ATOM 1210 CA VAL A 81 4.166 -8.512 -7.635 1.00 0.00 C ATOM 1211 C VAL A 81 3.559 -9.141 -6.386 1.00 0.00 C ATOM 1212 O VAL A 81 2.823 -10.124 -6.470 1.00 0.00 O ATOM 1213 CB VAL A 81 5.565 -9.111 -7.871 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.036 -8.826 -9.289 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.558 -8.570 -6.853 1.00 0.00 C ATOM 0 H VAL A 81 4.960 -6.713 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 81 3.536 -8.736 -8.496 1.00 0.00 H new ATOM 0 HB VAL A 81 5.503 -10.192 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.026 -9.257 -9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.338 -9.268 -10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.082 -7.749 -9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.540 -9.005 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.619 -7.486 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.227 -8.831 -5.848 1.00 0.00 H new ATOM 1225 N ARG A 82 3.872 -8.564 -5.228 1.00 0.00 N ATOM 1226 CA ARG A 82 3.357 -9.064 -3.956 1.00 0.00 C ATOM 1227 C ARG A 82 3.961 -8.296 -2.786 1.00 0.00 C ATOM 1228 O ARG A 82 4.951 -7.582 -2.945 1.00 0.00 O ATOM 1229 CB ARG A 82 3.659 -10.553 -3.803 1.00 0.00 C ATOM 1230 CG ARG A 82 5.121 -10.880 -4.007 1.00 0.00 C ATOM 1231 CD ARG A 82 5.318 -12.321 -4.449 1.00 0.00 C ATOM 1232 NE ARG A 82 6.510 -12.482 -5.277 1.00 0.00 N ATOM 1233 CZ ARG A 82 6.870 -13.632 -5.844 1.00 0.00 C ATOM 1234 NH1 ARG A 82 6.133 -14.722 -5.674 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 7.969 -13.691 -6.583 1.00 0.00 N ATOM 0 H ARG A 82 4.480 -7.749 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 82 2.277 -8.917 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.354 -10.880 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.062 -11.115 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.543 -10.209 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.666 -10.706 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.398 -12.962 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.442 -12.652 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 82 7.102 -11.665 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.286 -14.682 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.413 -15.600 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.539 -12.856 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.245 -14.572 -7.017 1.00 0.00 H new ATOM 1249 N VAL A 83 3.361 -8.448 -1.610 1.00 0.00 N ATOM 1250 CA VAL A 83 3.842 -7.769 -0.415 1.00 0.00 C ATOM 1251 C VAL A 83 4.909 -8.597 0.297 1.00 0.00 C ATOM 1252 O VAL A 83 4.855 -9.826 0.300 1.00 0.00 O ATOM 1253 CB VAL A 83 2.690 -7.470 0.566 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.553 -6.751 -0.147 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.192 -8.749 1.225 1.00 0.00 C ATOM 0 H VAL A 83 2.541 -9.036 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 83 4.280 -6.826 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 83 3.071 -6.815 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.750 -6.549 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.919 -5.811 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.175 -7.378 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.380 -8.512 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.831 -9.436 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.008 -9.216 1.776 1.00 0.00 H new ATOM 1265 N VAL A 84 5.879 -7.914 0.897 1.00 0.00 N ATOM 1266 CA VAL A 84 6.959 -8.587 1.610 1.00 0.00 C ATOM 1267 C VAL A 84 7.026 -8.154 3.075 1.00 0.00 C ATOM 1268 O VAL A 84 7.727 -8.772 3.876 1.00 0.00 O ATOM 1269 CB VAL A 84 8.320 -8.315 0.940 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.620 -6.823 0.918 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.430 -9.082 1.646 1.00 0.00 C ATOM 0 H VAL A 84 5.939 -6.896 0.904 1.00 0.00 H new ATOM 0 HA VAL A 84 6.743 -9.655 1.570 1.00 0.00 H new ATOM 0 HB VAL A 84 8.270 -8.665 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.585 -6.653 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.842 -6.304 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.648 -6.442 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.382 -8.876 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.482 -8.769 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.221 -10.151 1.598 1.00 0.00 H new ATOM 1281 N LYS A 85 6.302 -7.093 3.426 1.00 0.00 N ATOM 1282 CA LYS A 85 6.299 -6.597 4.799 1.00 0.00 C ATOM 1283 C LYS A 85 4.956 -5.969 5.155 1.00 0.00 C ATOM 1284 O LYS A 85 4.269 -5.416 4.296 1.00 0.00 O ATOM 1285 CB LYS A 85 7.419 -5.574 5.000 1.00 0.00 C ATOM 1286 CG LYS A 85 8.711 -5.934 4.286 1.00 0.00 C ATOM 1287 CD LYS A 85 9.860 -5.043 4.730 1.00 0.00 C ATOM 1288 CE LYS A 85 11.150 -5.396 4.008 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.343 -5.218 4.881 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.714 -6.564 2.783 1.00 0.00 H new ATOM 0 HA LYS A 85 6.468 -7.447 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.078 -4.601 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.620 -5.473 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.960 -6.976 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.571 -5.840 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.608 -4.000 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.005 -5.143 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.103 -6.429 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.253 -4.770 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.202 -5.469 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.403 -4.226 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.258 -5.834 5.715 1.00 0.00 H new ATOM 1303 N ALA A 86 4.592 -6.056 6.431 1.00 0.00 N ATOM 1304 CA ALA A 86 3.334 -5.496 6.908 1.00 0.00 C ATOM 1305 C ALA A 86 3.476 -4.962 8.331 1.00 0.00 C ATOM 1306 O ALA A 86 4.041 -5.626 9.200 1.00 0.00 O ATOM 1307 CB ALA A 86 2.234 -6.544 6.842 1.00 0.00 C ATOM 0 H ALA A 86 5.152 -6.510 7.153 1.00 0.00 H new ATOM 0 HA ALA A 86 3.065 -4.661 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.299 -6.113 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.109 -6.875 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.505 -7.395 7.466 1.00 0.00 H new ATOM 1313 N LYS A 87 2.960 -3.758 8.559 1.00 0.00 N ATOM 1314 CA LYS A 87 3.030 -3.132 9.875 1.00 0.00 C ATOM 1315 C LYS A 87 1.787 -2.288 10.141 1.00 0.00 C ATOM 1316 O LYS A 87 1.263 -1.636 9.238 1.00 0.00 O ATOM 1317 CB LYS A 87 4.283 -2.262 9.982 1.00 0.00 C ATOM 1318 CG LYS A 87 5.574 -3.062 10.043 1.00 0.00 C ATOM 1319 CD LYS A 87 6.223 -3.176 8.673 1.00 0.00 C ATOM 1320 CE LYS A 87 7.395 -4.144 8.690 1.00 0.00 C ATOM 1321 NZ LYS A 87 6.950 -5.554 8.869 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.489 -3.197 7.850 1.00 0.00 H new ATOM 0 HA LYS A 87 3.079 -3.922 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.322 -1.589 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.208 -1.640 10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.267 -2.585 10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.368 -4.059 10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.483 -3.511 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.566 -2.193 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.952 -4.055 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.077 -3.874 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.386 -5.950 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.915 -5.582 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.238 -6.116 8.043 1.00 0.00 H new ATOM 1335 N GLU A 88 1.319 -2.306 11.385 1.00 0.00 N ATOM 1336 CA GLU A 88 0.136 -1.543 11.768 1.00 0.00 C ATOM 1337 C GLU A 88 0.527 -0.257 12.490 1.00 0.00 C ATOM 1338 O GLU A 88 1.516 -0.220 13.222 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.773 -2.386 12.664 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.995 -3.800 12.149 1.00 0.00 C ATOM 1341 CD GLU A 88 -2.404 -4.019 11.633 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -3.013 -3.047 11.140 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -2.897 -5.163 11.723 1.00 0.00 O1- ATOM 0 H GLU A 88 1.741 -2.840 12.145 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.404 -1.279 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.339 -2.436 13.663 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.738 -1.888 12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.283 -4.007 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.791 -4.511 12.950 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.258 0.796 12.279 1.00 0.00 N ATOM 1351 CA GLN A 89 0.005 2.083 12.911 1.00 0.00 C ATOM 1352 C GLN A 89 -1.299 2.803 13.241 1.00 0.00 C ATOM 1353 O GLN A 89 -2.303 2.635 12.550 1.00 0.00 O ATOM 1354 CB GLN A 89 0.867 2.957 11.998 1.00 0.00 C ATOM 1355 CG GLN A 89 1.535 4.116 12.719 1.00 0.00 C ATOM 1356 CD GLN A 89 2.485 4.889 11.825 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.392 6.111 11.711 1.00 0.00 O ATOM 1358 NE2 GLN A 89 3.406 4.178 11.185 1.00 0.00 N ATOM 0 H GLN A 89 -1.080 0.782 11.676 1.00 0.00 H new ATOM 0 HA GLN A 89 0.544 1.900 13.841 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.635 2.337 11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.246 3.350 11.193 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.769 4.792 13.100 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.082 3.736 13.582 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.447 3.166 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.073 4.643 10.569 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.276 3.603 14.302 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.458 4.347 14.724 1.00 0.00 C ATOM 1369 C VAL A 90 -2.175 5.844 14.785 1.00 0.00 C ATOM 1370 O VAL A 90 -1.349 6.298 15.577 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.957 3.875 16.102 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.295 4.517 16.436 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.061 2.357 16.141 1.00 0.00 C ATOM 0 H VAL A 90 -0.453 3.753 14.885 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.232 4.157 13.980 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.234 4.187 16.855 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.631 4.171 17.414 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.184 5.601 16.453 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.030 4.240 15.681 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.415 2.042 17.122 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.762 2.021 15.377 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.081 1.920 15.952 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.868 6.606 13.945 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.694 8.053 13.902 1.00 0.00 C ATOM 1385 C VAL A 91 -3.886 8.728 13.230 1.00 0.00 C ATOM 1386 O VAL A 91 -4.050 8.650 12.013 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.407 8.447 13.152 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.188 8.243 14.038 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.275 7.654 11.861 1.00 0.00 C ATOM 0 H VAL A 91 -3.556 6.245 13.284 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.619 8.392 14.935 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.469 9.505 12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.711 8.527 13.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.280 8.861 14.931 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.120 7.195 14.328 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.360 7.947 11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.237 6.589 12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.133 7.857 11.220 1.00 0.00 H new ATOM 1399 N SER A 92 -4.716 9.387 14.032 1.00 0.00 N ATOM 1400 CA SER A 92 -5.894 10.074 13.514 1.00 0.00 C ATOM 1401 C SER A 92 -6.832 9.094 12.815 1.00 0.00 C ATOM 1402 O SER A 92 -7.594 9.476 11.926 1.00 0.00 O ATOM 1403 CB SER A 92 -5.480 11.182 12.544 1.00 0.00 C ATOM 1404 OG SER A 92 -6.606 11.919 12.100 1.00 0.00 O ATOM 0 H SER A 92 -4.595 9.460 15.042 1.00 0.00 H new ATOM 0 HA SER A 92 -6.424 10.518 14.357 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.773 11.852 13.033 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.966 10.746 11.687 1.00 0.00 H new ATOM 0 HG SER A 92 -7.337 11.302 11.887 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.771 7.830 13.221 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.618 6.816 12.622 1.00 0.00 C ATOM 1412 C GLY A 93 -6.942 5.461 12.572 1.00 0.00 C ATOM 1413 O GLY A 93 -6.711 4.836 13.607 1.00 0.00 O ATOM 0 H GLY A 93 -6.149 7.490 13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.545 6.737 13.191 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.889 7.122 11.612 1.00 0.00 H new ATOM 1417 N MET A 94 -6.621 5.008 11.365 1.00 0.00 N ATOM 1418 CA MET A 94 -5.962 3.720 11.184 1.00 0.00 C ATOM 1419 C MET A 94 -5.035 3.752 9.974 1.00 0.00 C ATOM 1420 O MET A 94 -5.485 3.892 8.838 1.00 0.00 O ATOM 1421 CB MET A 94 -7.002 2.611 11.016 1.00 0.00 C ATOM 1422 CG MET A 94 -7.776 2.304 12.287 1.00 0.00 C ATOM 1423 SD MET A 94 -6.811 1.348 13.474 1.00 0.00 S ATOM 1424 CE MET A 94 -6.876 2.422 14.906 1.00 0.00 C ATOM 0 H MET A 94 -6.806 5.513 10.498 1.00 0.00 H new ATOM 0 HA MET A 94 -5.365 3.516 12.073 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.704 2.899 10.234 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.502 1.704 10.677 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.092 3.239 12.750 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.681 1.753 12.032 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.970 1.819 15.809 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.963 3.014 14.958 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.736 3.087 14.823 1.00 0.00 H new ATOM 1434 N MET A 95 -3.737 3.619 10.226 1.00 0.00 N ATOM 1435 CA MET A 95 -2.746 3.631 9.157 1.00 0.00 C ATOM 1436 C MET A 95 -2.050 2.279 9.048 1.00 0.00 C ATOM 1437 O MET A 95 -1.691 1.671 10.058 1.00 0.00 O ATOM 1438 CB MET A 95 -1.714 4.734 9.401 1.00 0.00 C ATOM 1439 CG MET A 95 -1.313 5.482 8.140 1.00 0.00 C ATOM 1440 SD MET A 95 -0.249 6.898 8.478 1.00 0.00 S ATOM 1441 CE MET A 95 -1.466 8.194 8.696 1.00 0.00 C ATOM 0 H MET A 95 -3.347 3.502 11.161 1.00 0.00 H new ATOM 0 HA MET A 95 -3.262 3.830 8.218 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.118 5.445 10.122 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.824 4.294 9.851 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.797 4.798 7.466 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.211 5.822 7.624 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.020 9.023 9.246 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.803 8.545 7.720 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.317 7.804 9.255 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.866 1.810 7.818 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.217 0.526 7.581 1.00 0.00 C ATOM 1453 C HIS A 96 0.030 0.690 6.718 1.00 0.00 C ATOM 1454 O HIS A 96 -0.056 1.070 5.550 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.191 -0.443 6.908 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.748 -1.873 6.965 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -0.519 -2.261 7.456 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -2.379 -3.011 6.591 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -0.413 -3.576 7.380 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.527 -4.055 6.859 1.00 0.00 N ATOM 0 H HIS A 96 -2.157 2.299 6.971 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.915 0.120 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.167 -0.354 7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.318 -0.152 5.865 1.00 0.00 H new ATOM 0 HD1 HIS A 96 0.196 -1.632 7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.367 -3.084 6.162 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.441 -4.160 7.691 1.00 0.00 H new ATOM 1469 N TYR A 97 1.187 0.396 7.301 1.00 0.00 N ATOM 1470 CA TYR A 97 2.455 0.503 6.589 1.00 0.00 C ATOM 1471 C TYR A 97 2.900 -0.867 6.090 1.00 0.00 C ATOM 1472 O TYR A 97 3.333 -1.709 6.875 1.00 0.00 O ATOM 1473 CB TYR A 97 3.530 1.097 7.501 1.00 0.00 C ATOM 1474 CG TYR A 97 3.315 2.557 7.832 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.135 2.991 8.424 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.295 3.501 7.553 1.00 0.00 C ATOM 1477 CE1 TYR A 97 1.939 4.325 8.728 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.106 4.836 7.856 1.00 0.00 C ATOM 1479 CZ TYR A 97 2.927 5.243 8.442 1.00 0.00 C ATOM 1480 OH TYR A 97 2.735 6.572 8.744 1.00 0.00 O ATOM 0 H TYR A 97 1.273 0.081 8.267 1.00 0.00 H new ATOM 0 HA TYR A 97 2.314 1.163 5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.562 0.525 8.428 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.502 0.983 7.022 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.359 2.275 8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.220 3.187 7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.016 4.647 9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.879 5.557 7.635 1.00 0.00 H new ATOM 0 HH TYR A 97 1.778 6.782 8.705 1.00 0.00 H new ATOM 1490 N LEU A 98 2.791 -1.090 4.784 1.00 0.00 N ATOM 1491 CA LEU A 98 3.183 -2.368 4.200 1.00 0.00 C ATOM 1492 C LEU A 98 4.135 -2.171 3.026 1.00 0.00 C ATOM 1493 O LEU A 98 3.985 -1.238 2.237 1.00 0.00 O ATOM 1494 CB LEU A 98 1.952 -3.170 3.755 1.00 0.00 C ATOM 1495 CG LEU A 98 0.807 -2.360 3.133 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.124 -1.491 4.180 1.00 0.00 C ATOM 1497 CD2 LEU A 98 1.314 -1.514 1.975 1.00 0.00 C ATOM 0 H LEU A 98 2.437 -0.407 4.114 1.00 0.00 H new ATOM 0 HA LEU A 98 3.705 -2.933 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.274 -3.920 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.562 -3.707 4.619 1.00 0.00 H new ATOM 0 HG LEU A 98 0.068 -3.061 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.684 -0.927 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.283 -2.124 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.849 -0.799 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.486 -0.948 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.078 -0.825 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.742 -2.163 1.211 1.00 0.00 H new ATOM 1509 N THR A 99 5.119 -3.058 2.919 1.00 0.00 N ATOM 1510 CA THR A 99 6.099 -2.989 1.842 1.00 0.00 C ATOM 1511 C THR A 99 5.853 -4.097 0.827 1.00 0.00 C ATOM 1512 O THR A 99 5.521 -5.222 1.195 1.00 0.00 O ATOM 1513 CB THR A 99 7.516 -3.099 2.407 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.634 -2.372 3.617 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.579 -2.586 1.460 1.00 0.00 C ATOM 0 H THR A 99 5.259 -3.834 3.566 1.00 0.00 H new ATOM 0 HA THR A 99 5.994 -2.027 1.340 1.00 0.00 H new ATOM 0 HB THR A 99 7.678 -4.165 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.582 -2.240 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.560 -2.693 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.549 -3.160 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.394 -1.534 1.241 1.00 0.00 H new ATOM 1523 N VAL A 100 6.008 -3.774 -0.453 1.00 0.00 N ATOM 1524 CA VAL A 100 5.792 -4.751 -1.511 1.00 0.00 C ATOM 1525 C VAL A 100 6.831 -4.610 -2.622 1.00 0.00 C ATOM 1526 O VAL A 100 7.458 -3.561 -2.774 1.00 0.00 O ATOM 1527 CB VAL A 100 4.373 -4.623 -2.111 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.338 -4.463 -1.007 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.291 -3.459 -3.092 1.00 0.00 C ATOM 0 H VAL A 100 6.281 -2.847 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 100 5.896 -5.737 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 100 4.158 -5.540 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.345 -4.374 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.367 -5.334 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.559 -3.566 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.281 -3.395 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.535 -2.530 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.999 -3.618 -3.906 1.00 0.00 H new ATOM 1539 N GLU A 101 6.999 -5.674 -3.401 1.00 0.00 N ATOM 1540 CA GLU A 101 7.952 -5.672 -4.503 1.00 0.00 C ATOM 1541 C GLU A 101 7.284 -5.176 -5.781 1.00 0.00 C ATOM 1542 O GLU A 101 6.180 -5.602 -6.120 1.00 0.00 O ATOM 1543 CB GLU A 101 8.521 -7.075 -4.720 1.00 0.00 C ATOM 1544 CG GLU A 101 9.801 -7.338 -3.944 1.00 0.00 C ATOM 1545 CD GLU A 101 10.417 -8.684 -4.274 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.677 -9.690 -4.282 1.00 0.00 O ATOM 1547 OE2 GLU A 101 11.639 -8.731 -4.527 1.00 0.00 O1- ATOM 0 H GLU A 101 6.487 -6.549 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 101 8.770 -4.998 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.772 -7.811 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.714 -7.220 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.522 -6.550 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.590 -7.291 -2.876 1.00 0.00 H new ATOM 1554 N VAL A 102 7.954 -4.269 -6.483 1.00 0.00 N ATOM 1555 CA VAL A 102 7.415 -3.714 -7.717 1.00 0.00 C ATOM 1556 C VAL A 102 8.355 -3.950 -8.893 1.00 0.00 C ATOM 1557 O VAL A 102 9.575 -4.003 -8.728 1.00 0.00 O ATOM 1558 CB VAL A 102 7.152 -2.203 -7.582 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.398 -1.681 -8.794 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.387 -1.907 -6.301 1.00 0.00 C ATOM 0 H VAL A 102 8.869 -3.904 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 102 6.473 -4.228 -7.905 1.00 0.00 H new ATOM 0 HB VAL A 102 8.112 -1.689 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.222 -0.611 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.988 -1.858 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.443 -2.199 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.210 -0.834 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.432 -2.432 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.970 -2.242 -5.443 1.00 0.00 H new ATOM 1570 N ASN A 103 7.777 -4.088 -10.082 1.00 0.00 N ATOM 1571 CA ASN A 103 8.556 -4.315 -11.294 1.00 0.00 C ATOM 1572 C ASN A 103 8.250 -3.247 -12.339 1.00 0.00 C ATOM 1573 O ASN A 103 7.129 -2.744 -12.415 1.00 0.00 O ATOM 1574 CB ASN A 103 8.260 -5.704 -11.863 1.00 0.00 C ATOM 1575 CG ASN A 103 9.109 -6.024 -13.078 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.062 -5.319 -14.086 1.00 0.00 O ATOM 1577 ND2 ASN A 103 9.892 -7.093 -12.987 1.00 0.00 N ATOM 0 H ASN A 103 6.769 -4.046 -10.232 1.00 0.00 H new ATOM 0 HA ASN A 103 9.613 -4.256 -11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.436 -6.454 -11.092 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.206 -5.766 -12.133 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.486 -7.358 -13.772 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.899 -7.649 -12.132 1.00 0.00 H new ATOM 1584 N ASP A 104 9.254 -2.902 -13.140 1.00 0.00 N ATOM 1585 CA ASP A 104 9.088 -1.889 -14.177 1.00 0.00 C ATOM 1586 C ASP A 104 9.662 -2.365 -15.507 1.00 0.00 C ATOM 1587 O ASP A 104 10.818 -2.091 -15.830 1.00 0.00 O ATOM 1588 CB ASP A 104 9.764 -0.583 -13.755 1.00 0.00 C ATOM 1589 CG ASP A 104 9.111 0.634 -14.380 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.507 0.493 -15.464 1.00 0.00 O ATOM 1591 OD2 ASP A 104 9.203 1.728 -13.785 1.00 0.00 O1- ATOM 0 H ASP A 104 10.189 -3.308 -13.091 1.00 0.00 H new ATOM 0 HA ASP A 104 8.020 -1.714 -14.308 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.729 -0.493 -12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.816 -0.613 -14.039 1.00 0.00 H new ATOM 1596 N ALA A 105 8.845 -3.077 -16.279 1.00 0.00 N ATOM 1597 CA ALA A 105 9.267 -3.589 -17.579 1.00 0.00 C ATOM 1598 C ALA A 105 10.577 -4.364 -17.474 1.00 0.00 C ATOM 1599 O ALA A 105 11.375 -4.381 -18.411 1.00 0.00 O ATOM 1600 CB ALA A 105 9.407 -2.447 -18.573 1.00 0.00 C ATOM 0 H ALA A 105 7.885 -3.313 -16.026 1.00 0.00 H new ATOM 0 HA ALA A 105 8.500 -4.278 -17.934 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.722 -2.842 -19.539 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.448 -1.941 -18.683 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.151 -1.738 -18.210 1.00 0.00 H new ATOM 1606 N GLY A 106 10.791 -5.004 -16.330 1.00 0.00 N ATOM 1607 CA GLY A 106 12.006 -5.771 -16.126 1.00 0.00 C ATOM 1608 C GLY A 106 12.726 -5.390 -14.848 1.00 0.00 C ATOM 1609 O GLY A 106 13.255 -6.251 -14.145 1.00 0.00 O ATOM 0 H GLY A 106 10.145 -5.006 -15.540 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.761 -6.833 -16.098 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.674 -5.620 -16.974 1.00 0.00 H new ATOM 1613 N LYS A 107 12.745 -4.096 -14.545 1.00 0.00 N ATOM 1614 CA LYS A 107 13.405 -3.605 -13.341 1.00 0.00 C ATOM 1615 C LYS A 107 12.649 -4.046 -12.093 1.00 0.00 C ATOM 1616 O LYS A 107 11.551 -3.564 -11.818 1.00 0.00 O ATOM 1617 CB LYS A 107 13.510 -2.079 -13.376 1.00 0.00 C ATOM 1618 CG LYS A 107 14.749 -1.571 -14.094 1.00 0.00 C ATOM 1619 CD LYS A 107 14.612 -0.105 -14.472 1.00 0.00 C ATOM 1620 CE LYS A 107 14.636 0.792 -13.245 1.00 0.00 C ATOM 1621 NZ LYS A 107 14.222 2.185 -13.566 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.312 -3.370 -15.115 1.00 0.00 H new ATOM 0 HA LYS A 107 14.409 -4.029 -13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.625 -1.673 -13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.511 -1.700 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.621 -1.703 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 107 14.920 -2.165 -14.992 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.422 0.175 -15.145 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.680 0.046 -15.016 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.972 0.383 -12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.640 0.801 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.252 2.764 -12.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.870 2.585 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.254 2.181 -13.946 1.00 0.00 H new ATOM 1635 N LYS A 108 13.244 -4.967 -11.341 1.00 0.00 N ATOM 1636 CA LYS A 108 12.624 -5.475 -10.123 1.00 0.00 C ATOM 1637 C LYS A 108 13.240 -4.829 -8.886 1.00 0.00 C ATOM 1638 O LYS A 108 14.461 -4.733 -8.766 1.00 0.00 O ATOM 1639 CB LYS A 108 12.777 -6.995 -10.047 1.00 0.00 C ATOM 1640 CG LYS A 108 12.128 -7.612 -8.819 1.00 0.00 C ATOM 1641 CD LYS A 108 10.761 -8.195 -9.144 1.00 0.00 C ATOM 1642 CE LYS A 108 9.756 -7.912 -8.039 1.00 0.00 C ATOM 1643 NZ LYS A 108 8.796 -6.839 -8.422 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.154 -5.376 -11.554 1.00 0.00 H new ATOM 0 HA LYS A 108 11.564 -5.222 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.340 -7.441 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.838 -7.246 -10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.773 -8.395 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.026 -6.855 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.399 -7.775 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.849 -9.272 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.207 -8.824 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.286 -7.618 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.299 -6.499 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.313 -6.050 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.104 -7.218 -9.100 1.00 0.00 H new ATOM 1657 N LYS A 109 12.386 -4.388 -7.968 1.00 0.00 N ATOM 1658 CA LYS A 109 12.847 -3.752 -6.739 1.00 0.00 C ATOM 1659 C LYS A 109 11.792 -3.850 -5.644 1.00 0.00 C ATOM 1660 O LYS A 109 10.674 -4.306 -5.882 1.00 0.00 O ATOM 1661 CB LYS A 109 13.195 -2.285 -6.996 1.00 0.00 C ATOM 1662 CG LYS A 109 14.645 -2.063 -7.395 1.00 0.00 C ATOM 1663 CD LYS A 109 15.141 -0.697 -6.951 1.00 0.00 C ATOM 1664 CE LYS A 109 16.616 -0.510 -7.269 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.826 0.012 -8.648 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.372 -4.459 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 109 13.741 -4.278 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.547 -1.899 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.982 -1.707 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.269 -2.840 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.744 -2.153 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.559 0.081 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.981 -0.581 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.058 0.179 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.135 -1.462 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.845 0.125 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.427 -0.657 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.353 0.933 -8.746 1.00 0.00 H new ATOM 1679 N LEU A 110 12.156 -3.414 -4.443 1.00 0.00 N ATOM 1680 CA LEU A 110 11.245 -3.445 -3.306 1.00 0.00 C ATOM 1681 C LEU A 110 10.945 -2.030 -2.821 1.00 0.00 C ATOM 1682 O LEU A 110 11.853 -1.288 -2.449 1.00 0.00 O ATOM 1683 CB LEU A 110 11.847 -4.277 -2.168 1.00 0.00 C ATOM 1684 CG LEU A 110 11.133 -4.157 -0.819 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.633 -4.348 -0.988 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.692 -5.168 0.170 1.00 0.00 C ATOM 0 H LEU A 110 13.079 -3.034 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 110 10.311 -3.907 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.848 -5.325 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.888 -3.982 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 110 11.308 -3.156 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.143 -4.259 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.243 -3.586 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.437 -5.336 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.173 -5.069 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.547 -6.176 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.757 -4.985 0.315 1.00 0.00 H new ATOM 1698 N TYR A 111 9.668 -1.662 -2.829 1.00 0.00 N ATOM 1699 CA TYR A 111 9.256 -0.334 -2.390 1.00 0.00 C ATOM 1700 C TYR A 111 8.259 -0.420 -1.238 1.00 0.00 C ATOM 1701 O TYR A 111 7.425 -1.325 -1.191 1.00 0.00 O ATOM 1702 CB TYR A 111 8.642 0.446 -3.555 1.00 0.00 C ATOM 1703 CG TYR A 111 9.450 0.382 -4.835 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.841 0.354 -4.810 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.817 0.355 -6.072 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.574 0.300 -5.980 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.545 0.300 -7.246 1.00 0.00 C ATOM 1708 CZ TYR A 111 10.922 0.273 -7.194 1.00 0.00 C ATOM 1709 OH TYR A 111 11.650 0.220 -8.361 1.00 0.00 O ATOM 0 H TYR A 111 8.902 -2.263 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 111 10.143 0.192 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.641 0.060 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.529 1.489 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.356 0.375 -3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.738 0.377 -6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.653 0.279 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.037 0.278 -8.199 1.00 0.00 H new ATOM 0 HH TYR A 111 11.039 0.206 -9.127 1.00 0.00 H new ATOM 1719 N GLU A 112 8.352 0.529 -0.311 1.00 0.00 N ATOM 1720 CA GLU A 112 7.461 0.567 0.843 1.00 0.00 C ATOM 1721 C GLU A 112 6.304 1.534 0.606 1.00 0.00 C ATOM 1722 O GLU A 112 6.475 2.579 -0.022 1.00 0.00 O ATOM 1723 CB GLU A 112 8.235 0.978 2.096 1.00 0.00 C ATOM 1724 CG GLU A 112 7.698 0.356 3.375 1.00 0.00 C ATOM 1725 CD GLU A 112 7.320 1.392 4.416 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.203 1.794 5.202 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 6.140 1.801 4.445 1.00 0.00 O ATOM 0 H GLU A 112 9.038 1.284 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 112 7.051 -0.433 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.281 0.695 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.207 2.064 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.824 -0.252 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.450 -0.314 3.792 1.00 0.00 H new ATOM 1734 N ALA A 113 5.128 1.178 1.114 1.00 0.00 N ATOM 1735 CA ALA A 113 3.943 2.013 0.959 1.00 0.00 C ATOM 1736 C ALA A 113 3.169 2.120 2.269 1.00 0.00 C ATOM 1737 O ALA A 113 2.978 1.125 2.971 1.00 0.00 O ATOM 1738 CB ALA A 113 3.048 1.456 -0.138 1.00 0.00 C ATOM 0 H ALA A 113 4.971 0.316 1.637 1.00 0.00 H new ATOM 0 HA ALA A 113 4.269 3.014 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.166 2.088 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.596 1.436 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.739 0.444 0.123 1.00 0.00 H new ATOM 1744 N LYS A 114 2.720 3.329 2.591 1.00 0.00 N ATOM 1745 CA LYS A 114 1.959 3.555 3.817 1.00 0.00 C ATOM 1746 C LYS A 114 0.581 4.129 3.501 1.00 0.00 C ATOM 1747 O LYS A 114 0.465 5.206 2.919 1.00 0.00 O ATOM 1748 CB LYS A 114 2.716 4.492 4.762 1.00 0.00 C ATOM 1749 CG LYS A 114 3.149 5.792 4.113 1.00 0.00 C ATOM 1750 CD LYS A 114 4.447 6.309 4.713 1.00 0.00 C ATOM 1751 CE LYS A 114 5.655 5.601 4.122 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.878 6.448 4.177 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.868 4.164 2.024 1.00 0.00 H new ATOM 0 HA LYS A 114 1.829 2.593 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.083 4.718 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.597 3.975 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.278 5.640 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.366 6.540 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.529 7.381 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.432 6.165 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.832 4.672 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.447 5.331 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.700 5.856 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.031 6.898 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.759 7.183 4.903 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.459 3.395 3.885 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.831 3.823 3.639 1.00 0.00 C ATOM 1768 C VAL A 115 -2.503 4.296 4.925 1.00 0.00 C ATOM 1769 O VAL A 115 -2.182 3.822 6.015 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.669 2.686 3.019 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -2.750 1.497 3.967 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -4.060 3.183 2.653 1.00 0.00 C ATOM 0 H VAL A 115 -0.377 2.500 4.368 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.782 4.654 2.936 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.175 2.356 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.346 0.707 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.746 1.124 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.216 1.808 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.635 2.366 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.565 3.545 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.978 3.995 1.930 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.437 5.232 4.789 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.156 5.769 5.940 1.00 0.00 C ATOM 1784 C TRP A 116 -5.664 5.689 5.727 1.00 0.00 C ATOM 1785 O TRP A 116 -6.157 5.881 4.614 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.743 7.220 6.194 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.390 7.820 7.406 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.455 7.276 8.656 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.066 9.080 7.480 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.128 8.122 9.504 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.514 9.237 8.805 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.335 10.093 6.554 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.215 10.364 9.226 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.032 11.211 6.974 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.465 11.339 8.299 1.00 0.00 C ATOM 0 H TRP A 116 -3.714 5.635 3.894 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.898 5.166 6.810 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.660 7.267 6.309 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.997 7.821 5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.038 6.320 8.937 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.311 7.949 10.492 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.004 10.004 5.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.550 10.465 10.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.246 11.999 6.267 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.007 12.225 8.595 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.390 5.406 6.805 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.843 5.299 6.748 1.00 0.00 C ATOM 1808 C GLU A 117 -8.462 5.628 8.104 1.00 0.00 C ATOM 1809 O GLU A 117 -8.110 5.028 9.119 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.255 3.891 6.312 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.761 3.679 6.278 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.264 2.881 7.465 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.569 2.858 8.502 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -11.354 2.281 7.358 1.00 0.00 O1- ATOM 0 H GLU A 117 -5.993 5.246 7.731 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.210 6.018 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.846 3.693 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.810 3.165 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.260 4.648 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.031 3.162 5.357 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.383 6.587 8.113 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.047 6.997 9.342 1.00 0.00 C ATOM 1823 C GLN A 118 -11.439 6.381 9.442 1.00 0.00 C ATOM 1824 O GLN A 118 -11.906 5.723 8.513 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.150 8.521 9.404 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.944 9.243 8.824 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.062 9.467 7.329 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.985 10.135 6.860 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.126 8.909 6.571 1.00 0.00 N ATOM 0 H GLN A 118 -9.685 7.094 7.281 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.451 6.642 10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.044 8.837 8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.278 8.825 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.826 10.205 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.044 8.664 9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.379 8.364 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.154 9.026 5.558 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.096 6.601 10.576 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.436 6.072 10.800 1.00 0.00 C ATOM 1840 C VAL A 119 -14.451 7.202 10.947 1.00 0.00 C ATOM 1841 O VAL A 119 -15.582 7.101 10.473 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.484 5.179 12.056 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.112 5.976 13.298 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.860 4.546 12.212 1.00 0.00 C ATOM 0 H VAL A 119 -11.721 7.143 11.355 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.692 5.469 9.929 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.753 4.379 11.935 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.152 5.327 14.173 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.103 6.373 13.187 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.814 6.800 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.873 3.920 13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.612 5.329 12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.081 3.935 11.337 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.036 8.279 11.606 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.904 9.432 11.816 1.00 0.00 C ATOM 1856 C TRP A 120 -14.893 10.356 10.600 1.00 0.00 C ATOM 1857 O TRP A 120 -15.816 11.146 10.401 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.464 10.206 13.059 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.033 10.645 13.006 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.541 11.766 12.402 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.908 9.969 13.576 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.178 11.829 12.563 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.766 10.737 13.281 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.754 8.789 14.309 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.489 10.363 13.693 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.487 8.418 14.717 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.369 9.203 14.409 1.00 0.00 C ATOM 0 H TRP A 120 -13.102 8.377 12.004 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.920 9.066 11.961 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.102 11.082 13.178 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.613 9.581 13.940 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.136 12.497 11.875 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.572 12.568 12.206 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.610 8.178 14.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.625 10.966 13.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.357 7.507 15.283 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.392 8.886 14.743 1.00 0.00 H new ATOM 1878 N MET A 121 -13.844 10.251 9.788 1.00 0.00 N ATOM 1879 CA MET A 121 -13.717 11.075 8.593 1.00 0.00 C ATOM 1880 C MET A 121 -14.190 10.312 7.360 1.00 0.00 C ATOM 1881 O MET A 121 -14.606 10.911 6.368 1.00 0.00 O ATOM 1882 CB MET A 121 -12.264 11.519 8.407 1.00 0.00 C ATOM 1883 CG MET A 121 -12.055 12.431 7.208 1.00 0.00 C ATOM 1884 SD MET A 121 -11.800 14.153 7.679 1.00 0.00 S ATOM 1885 CE MET A 121 -10.238 14.497 6.873 1.00 0.00 C ATOM 0 H MET A 121 -13.071 9.603 9.937 1.00 0.00 H new ATOM 0 HA MET A 121 -14.345 11.957 8.718 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.932 12.035 9.308 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.634 10.636 8.296 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.193 12.083 6.638 1.00 0.00 H new ATOM 0 HG3 MET A 121 -12.921 12.363 6.550 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.945 15.528 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.473 13.822 7.258 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.343 14.350 5.798 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.122 8.986 7.431 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.542 8.137 6.325 1.00 0.00 C ATOM 1897 C ASN A 122 -13.685 8.391 5.089 1.00 0.00 C ATOM 1898 O ASN A 122 -14.197 8.499 3.975 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.018 8.378 5.998 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.942 7.505 6.824 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.779 6.781 6.284 1.00 0.00 O ATOM 1902 ND2 ASN A 122 -16.796 7.569 8.143 1.00 0.00 N ATOM 0 H ASN A 122 -13.779 8.477 8.246 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.412 7.098 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.260 9.426 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.189 8.184 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.390 7.004 8.750 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -16.089 8.183 8.549 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.376 8.486 5.296 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.444 8.727 4.200 1.00 0.00 C ATOM 1911 C PHE A 123 -10.294 7.725 4.237 1.00 0.00 C ATOM 1912 O PHE A 123 -9.794 7.378 5.307 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.900 10.155 4.272 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.040 10.916 2.984 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.479 10.432 1.814 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.732 12.116 2.945 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.606 11.130 0.628 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.862 12.818 1.763 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.299 12.325 0.602 1.00 0.00 C ATOM 0 H PHE A 123 -11.936 8.400 6.212 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.981 8.600 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.422 10.695 5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.847 10.120 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.936 9.498 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.175 12.507 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -10.164 10.742 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.404 13.752 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.400 12.872 -0.324 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.879 7.266 3.061 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.787 6.305 2.956 1.00 0.00 C ATOM 1931 C ARG A 124 -7.976 6.543 1.687 1.00 0.00 C ATOM 1932 O ARG A 124 -8.527 6.587 0.587 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.333 4.875 2.964 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.588 4.696 2.126 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.844 4.958 2.941 1.00 0.00 C ATOM 1936 NE ARG A 124 -13.060 4.732 2.163 1.00 0.00 N ATOM 1937 CZ ARG A 124 -13.554 5.607 1.290 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -12.940 6.764 1.079 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -14.666 5.323 0.625 1.00 0.00 N ATOM 0 H ARG A 124 -10.283 7.544 2.167 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.133 6.441 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.561 4.199 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.548 4.583 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.558 5.375 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.618 3.683 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.849 4.310 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.832 5.986 3.305 1.00 0.00 H new ATOM 0 HE ARG A 124 -13.559 3.853 2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.084 6.987 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -13.324 7.430 0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -15.142 4.435 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -15.045 5.993 -0.044 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.666 6.700 1.845 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.786 6.936 0.705 1.00 0.00 C ATOM 1955 C GLN A 125 -4.329 6.662 1.064 1.00 0.00 C ATOM 1956 O GLN A 125 -4.006 6.377 2.217 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.938 8.375 0.209 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.499 9.418 1.224 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.662 10.002 2.001 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.771 10.129 1.480 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.415 10.362 3.255 1.00 0.00 N ATOM 0 H GLN A 125 -6.191 6.668 2.747 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.076 6.248 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.354 8.500 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.981 8.552 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.792 8.967 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.971 10.221 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.481 10.239 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.159 10.762 3.827 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.455 6.755 0.067 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.030 6.521 0.272 1.00 0.00 C ATOM 1972 C LEU A 126 -1.359 7.758 0.861 1.00 0.00 C ATOM 1973 O LEU A 126 -1.664 8.886 0.473 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.358 6.138 -1.051 1.00 0.00 C ATOM 1975 CG LEU A 126 0.174 6.102 -1.019 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.698 4.913 -1.810 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.749 7.401 -1.563 1.00 0.00 C ATOM 0 H LEU A 126 -3.709 6.991 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.917 5.698 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.722 5.156 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.673 6.846 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 126 0.494 5.992 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.787 4.905 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.314 3.990 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.368 4.991 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.838 7.358 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.420 7.542 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.402 8.236 -0.954 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.445 7.537 1.799 1.00 0.00 N ATOM 1990 CA GLN A 127 0.270 8.633 2.441 1.00 0.00 C ATOM 1991 C GLN A 127 1.609 8.880 1.758 1.00 0.00 C ATOM 1992 O GLN A 127 1.866 9.973 1.251 1.00 0.00 O ATOM 1993 CB GLN A 127 0.487 8.326 3.925 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.544 8.970 4.840 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.966 8.790 4.342 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.789 9.700 4.435 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.262 7.609 3.808 1.00 0.00 N ATOM 0 H GLN A 127 -0.182 6.609 2.131 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.335 9.535 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.465 7.246 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.481 8.666 4.216 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.456 8.540 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.328 10.034 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.549 6.882 3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.202 7.430 3.456 1.00 0.00 H new ATOM 2006 N GLU A 128 2.461 7.860 1.747 1.00 0.00 N ATOM 2007 CA GLU A 128 3.774 7.972 1.124 1.00 0.00 C ATOM 2008 C GLU A 128 4.208 6.645 0.510 1.00 0.00 C ATOM 2009 O GLU A 128 3.735 5.575 0.905 1.00 0.00 O ATOM 2010 CB GLU A 128 4.819 8.434 2.145 1.00 0.00 C ATOM 2011 CG GLU A 128 4.292 9.442 3.156 1.00 0.00 C ATOM 2012 CD GLU A 128 4.112 10.826 2.563 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.155 10.950 1.320 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.928 11.785 3.341 1.00 0.00 O ATOM 0 H GLU A 128 2.266 6.949 2.162 1.00 0.00 H new ATOM 0 HA GLU A 128 3.698 8.714 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.200 7.564 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.662 8.875 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.337 9.092 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.981 9.499 3.999 1.00 0.00 H new ATOM 2021 N PHE A 129 5.116 6.727 -0.457 1.00 0.00 N ATOM 2022 CA PHE A 129 5.632 5.546 -1.135 1.00 0.00 C ATOM 2023 C PHE A 129 7.138 5.668 -1.345 1.00 0.00 C ATOM 2024 O PHE A 129 7.596 6.440 -2.187 1.00 0.00 O ATOM 2025 CB PHE A 129 4.930 5.358 -2.481 1.00 0.00 C ATOM 2026 CG PHE A 129 4.892 3.931 -2.948 1.00 0.00 C ATOM 2027 CD1 PHE A 129 5.962 3.386 -3.640 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.785 3.136 -2.699 1.00 0.00 C ATOM 2029 CE1 PHE A 129 5.928 2.074 -4.073 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.745 1.824 -3.130 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.818 1.292 -3.818 1.00 0.00 C ATOM 0 H PHE A 129 5.511 7.606 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 129 5.435 4.675 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.909 5.733 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.436 5.964 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.832 3.993 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 129 2.943 3.547 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.769 1.660 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.876 1.215 -2.929 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.789 0.267 -4.156 1.00 0.00 H new ATOM 2041 N THR A 130 7.903 4.906 -0.571 1.00 0.00 N ATOM 2042 CA THR A 130 9.358 4.936 -0.670 1.00 0.00 C ATOM 2043 C THR A 130 9.870 3.771 -1.508 1.00 0.00 C ATOM 2044 O THR A 130 9.244 2.715 -1.565 1.00 0.00 O ATOM 2045 CB THR A 130 9.986 4.891 0.724 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.909 3.585 1.266 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.328 5.835 1.708 1.00 0.00 C ATOM 0 H THR A 130 7.541 4.261 0.131 1.00 0.00 H new ATOM 0 HA THR A 130 9.645 5.866 -1.160 1.00 0.00 H new ATOM 0 HB THR A 130 11.022 5.201 0.584 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.317 3.576 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.821 5.753 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.413 6.858 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.275 5.574 1.814 1.00 0.00 H new ATOM 2055 N TYR A 131 11.011 3.970 -2.160 1.00 0.00 N ATOM 2056 CA TYR A 131 11.602 2.929 -2.995 1.00 0.00 C ATOM 2057 C TYR A 131 12.891 2.403 -2.374 1.00 0.00 C ATOM 2058 O TYR A 131 13.893 3.114 -2.301 1.00 0.00 O ATOM 2059 CB TYR A 131 11.881 3.455 -4.410 1.00 0.00 C ATOM 2060 CG TYR A 131 11.170 4.750 -4.742 1.00 0.00 C ATOM 2061 CD1 TYR A 131 9.800 4.772 -4.974 1.00 0.00 C ATOM 2062 CD2 TYR A 131 11.869 5.947 -4.824 1.00 0.00 C ATOM 2063 CE1 TYR A 131 9.148 5.952 -5.278 1.00 0.00 C ATOM 2064 CE2 TYR A 131 11.224 7.131 -5.126 1.00 0.00 C ATOM 2065 CZ TYR A 131 9.864 7.128 -5.352 1.00 0.00 C ATOM 2066 OH TYR A 131 9.217 8.305 -5.655 1.00 0.00 O ATOM 0 H TYR A 131 11.544 4.839 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 131 10.885 2.110 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.955 3.603 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.585 2.695 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 131 9.236 3.853 -4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 131 12.935 5.953 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 131 8.083 5.953 -5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 131 11.782 8.054 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 131 9.864 9.041 -5.667 1.00 0.00 H new ATOM 2076 N LEU A 132 12.858 1.152 -1.927 1.00 0.00 N ATOM 2077 CA LEU A 132 14.022 0.528 -1.311 1.00 0.00 C ATOM 2078 C LEU A 132 14.917 -0.114 -2.366 1.00 0.00 C ATOM 2079 O LEU A 132 14.724 0.090 -3.565 1.00 0.00 O ATOM 2080 CB LEU A 132 13.584 -0.525 -0.288 1.00 0.00 C ATOM 2081 CG LEU A 132 12.327 -0.172 0.510 1.00 0.00 C ATOM 2082 CD1 LEU A 132 12.043 -1.238 1.557 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.478 1.193 1.165 1.00 0.00 C ATOM 0 H LEU A 132 12.036 0.550 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 132 14.591 1.305 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.412 -1.466 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.404 -0.693 0.411 1.00 0.00 H new ATOM 0 HG LEU A 132 11.482 -0.132 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.146 -0.970 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.892 -2.199 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.888 -1.310 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.575 1.428 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.334 1.180 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.634 1.950 0.396 1.00 0.00 H new ATOM 2095 N GLY A 133 15.895 -0.891 -1.913 1.00 0.00 N ATOM 2096 CA GLY A 133 16.804 -1.552 -2.831 1.00 0.00 C ATOM 2097 C GLY A 133 16.166 -2.740 -3.524 1.00 0.00 C ATOM 2098 O GLY A 133 15.946 -2.717 -4.734 1.00 0.00 O ATOM 0 H GLY A 133 16.074 -1.075 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.142 -0.837 -3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.688 -1.885 -2.286 1.00 0.00 H new ATOM 2102 N ASP A 134 15.869 -3.782 -2.753 1.00 0.00 N ATOM 2103 CA ASP A 134 15.253 -4.986 -3.299 1.00 0.00 C ATOM 2104 C ASP A 134 14.953 -5.992 -2.193 1.00 0.00 C ATOM 2105 O ASP A 134 15.514 -5.914 -1.100 1.00 0.00 O ATOM 2106 CB ASP A 134 16.167 -5.621 -4.348 1.00 0.00 C ATOM 2107 CG ASP A 134 15.532 -6.826 -5.015 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.320 -6.770 -5.311 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 16.246 -7.825 -5.241 1.00 0.00 O ATOM 0 H ASP A 134 16.045 -3.816 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 134 14.313 -4.701 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.416 -4.879 -5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.103 -5.921 -3.877 1.00 0.00 H new ATOM 2114 N ALA A 135 14.064 -6.936 -2.484 1.00 0.00 N ATOM 2115 CA ALA A 135 13.690 -7.958 -1.514 1.00 0.00 C ATOM 2116 C ALA A 135 14.268 -9.316 -1.897 1.00 0.00 C ATOM 2117 O ALA A 135 14.287 -10.216 -1.031 1.00 0.00 O ATOM 2118 CB ALA A 135 12.176 -8.042 -1.395 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.695 -9.470 -3.061 1.00 0.00 O ATOM 0 H ALA A 135 13.589 -7.014 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 135 14.105 -7.675 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.910 -8.809 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.783 -7.080 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.748 -8.298 -2.364 1.00 0.00 H new TER 2125 ALA A 135