USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 683 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 61 ASN : amide:sc= -1.34 K(o=-2,f=-5.1!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= -0.675 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -169:sc= 0.614 (180deg=-0.00729) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0.556 USER MOD Set 3.1: A 4 GLN : amide:sc= -0.803 X(o=-1.8,f=-2.1!) USER MOD Set 3.2: A 5 ASN : amide:sc= -0.955 X(o=-1.8,f=-1.3) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.603 K(o=-0.6,f=-0.0084) USER MOD Single : A 35 THR OG1 : rot 133:sc= 1.3 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.164 (180deg=-0.633) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 72 GLN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.4!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0129) USER MOD Single : A 89 THR OG1 : rot -107:sc= -0.337 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 110:sc= -1.03 USER MOD Single : A 92 ASN : amide:sc= -4.14 K(o=-4.1,f=-4.7!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.78 K(o=-1.8,f=0.16) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.454 -1.965 -0.968 1.00 73.11 N ATOM 9 CA SER A 2 4.703 -2.702 -0.822 1.00 5.05 C ATOM 10 C SER A 2 4.439 -4.198 -0.683 1.00 71.10 C ATOM 11 O SER A 2 3.960 -4.662 0.351 1.00 1.34 O ATOM 12 CB SER A 2 5.479 -2.195 0.396 1.00 43.13 C ATOM 13 OG SER A 2 6.472 -1.259 0.014 1.00 41.32 O ATOM 0 HA SER A 2 5.300 -2.538 -1.719 1.00 5.05 H new ATOM 0 HB2 SER A 2 4.791 -1.732 1.103 1.00 43.13 H new ATOM 0 HB3 SER A 2 5.945 -3.036 0.910 1.00 43.13 H new ATOM 0 HG SER A 2 6.953 -0.949 0.810 1.00 41.32 H new ATOM 19 N ALA A 3 4.754 -4.948 -1.734 1.00 24.12 N ATOM 20 CA ALA A 3 4.553 -6.392 -1.730 1.00 43.20 C ATOM 21 C ALA A 3 3.131 -6.747 -1.309 1.00 42.24 C ATOM 22 O ALA A 3 2.908 -7.255 -0.211 1.00 3.52 O ATOM 23 CB ALA A 3 5.561 -7.063 -0.809 1.00 3.33 C ATOM 0 H ALA A 3 5.149 -4.580 -2.599 1.00 24.12 H new ATOM 0 HA ALA A 3 4.706 -6.758 -2.745 1.00 43.20 H new ATOM 0 HB1 ALA A 3 5.399 -8.141 -0.816 1.00 3.33 H new ATOM 0 HB2 ALA A 3 6.571 -6.846 -1.155 1.00 3.33 H new ATOM 0 HB3 ALA A 3 5.436 -6.684 0.205 1.00 3.33 H new ATOM 29 N GLN A 4 2.173 -6.476 -2.190 1.00 44.51 N ATOM 30 CA GLN A 4 0.773 -6.766 -1.908 1.00 55.40 C ATOM 31 C GLN A 4 0.384 -8.142 -2.438 1.00 23.13 C ATOM 32 O GLN A 4 0.734 -8.508 -3.559 1.00 4.41 O ATOM 33 CB GLN A 4 -0.127 -5.695 -2.528 1.00 62.05 C ATOM 34 CG GLN A 4 -1.597 -5.859 -2.180 1.00 74.33 C ATOM 35 CD GLN A 4 -1.813 -6.266 -0.736 1.00 33.40 C ATOM 36 OE1 GLN A 4 -1.163 -5.746 0.171 1.00 35.14 O ATOM 37 NE2 GLN A 4 -2.730 -7.201 -0.515 1.00 21.42 N ATOM 0 H GLN A 4 2.341 -6.056 -3.104 1.00 44.51 H new ATOM 0 HA GLN A 4 0.639 -6.762 -0.826 1.00 55.40 H new ATOM 0 HB2 GLN A 4 0.209 -4.713 -2.195 1.00 62.05 H new ATOM 0 HB3 GLN A 4 -0.014 -5.720 -3.612 1.00 62.05 H new ATOM 0 HG2 GLN A 4 -2.118 -4.921 -2.371 1.00 74.33 H new ATOM 0 HG3 GLN A 4 -2.040 -6.609 -2.835 1.00 74.33 H new ATOM 0 HE21 GLN A 4 -3.245 -7.605 -1.297 1.00 21.42 H new ATOM 0 HE22 GLN A 4 -2.919 -7.515 0.437 1.00 21.42 H new ATOM 46 N ASN A 5 -0.341 -8.901 -1.623 1.00 20.32 N ATOM 47 CA ASN A 5 -0.776 -10.239 -2.009 1.00 51.53 C ATOM 48 C ASN A 5 -2.076 -10.179 -2.805 1.00 52.33 C ATOM 49 O ASN A 5 -3.091 -9.680 -2.318 1.00 54.15 O ATOM 50 CB ASN A 5 -0.964 -11.115 -0.769 1.00 52.41 C ATOM 51 CG ASN A 5 -2.101 -10.633 0.112 1.00 61.22 C ATOM 52 OD1 ASN A 5 -3.228 -11.118 0.010 1.00 1.11 O ATOM 53 ND2 ASN A 5 -1.809 -9.674 0.983 1.00 62.23 N ATOM 0 H ASN A 5 -0.640 -8.613 -0.691 1.00 20.32 H new ATOM 0 HA ASN A 5 -0.003 -10.677 -2.641 1.00 51.53 H new ATOM 0 HB2 ASN A 5 -1.158 -12.142 -1.079 1.00 52.41 H new ATOM 0 HB3 ASN A 5 -0.040 -11.126 -0.191 1.00 52.41 H new ATOM 0 HD21 ASN A 5 -2.533 -9.310 1.602 1.00 62.23 H new ATOM 0 HD22 ASN A 5 -0.861 -9.302 1.033 1.00 62.23 H new ATOM 60 N ILE A 6 -2.037 -10.691 -4.031 1.00 13.41 N ATOM 61 CA ILE A 6 -3.212 -10.697 -4.893 1.00 53.13 C ATOM 62 C ILE A 6 -3.516 -12.103 -5.399 1.00 23.22 C ATOM 63 O ILE A 6 -2.678 -12.739 -6.040 1.00 75.21 O ATOM 64 CB ILE A 6 -3.030 -9.758 -6.100 1.00 43.13 C ATOM 65 CG1 ILE A 6 -2.860 -8.312 -5.629 1.00 33.34 C ATOM 66 CG2 ILE A 6 -4.214 -9.876 -7.047 1.00 75.45 C ATOM 67 CD1 ILE A 6 -4.084 -7.756 -4.935 1.00 51.43 C ATOM 0 H ILE A 6 -1.205 -11.107 -4.449 1.00 13.41 H new ATOM 0 HA ILE A 6 -4.047 -10.342 -4.289 1.00 53.13 H new ATOM 0 HB ILE A 6 -2.129 -10.053 -6.638 1.00 43.13 H new ATOM 0 HG12 ILE A 6 -2.010 -8.257 -4.949 1.00 33.34 H new ATOM 0 HG13 ILE A 6 -2.622 -7.684 -6.488 1.00 33.34 H new ATOM 0 HG21 ILE A 6 -4.070 -9.206 -7.895 1.00 75.45 H new ATOM 0 HG22 ILE A 6 -4.293 -10.903 -7.405 1.00 75.45 H new ATOM 0 HG23 ILE A 6 -5.129 -9.604 -6.521 1.00 75.45 H new ATOM 0 HD11 ILE A 6 -3.893 -6.728 -4.628 1.00 51.43 H new ATOM 0 HD12 ILE A 6 -4.932 -7.779 -5.619 1.00 51.43 H new ATOM 0 HD13 ILE A 6 -4.310 -8.361 -4.057 1.00 51.43 H new ATOM 79 N THR A 7 -4.720 -12.584 -5.107 1.00 55.03 N ATOM 80 CA THR A 7 -5.136 -13.915 -5.532 1.00 43.34 C ATOM 81 C THR A 7 -5.930 -13.854 -6.832 1.00 50.20 C ATOM 82 O THR A 7 -6.768 -12.972 -7.018 1.00 4.43 O ATOM 83 CB THR A 7 -5.990 -14.608 -4.454 1.00 43.01 C ATOM 84 OG1 THR A 7 -6.685 -13.628 -3.675 1.00 22.12 O ATOM 85 CG2 THR A 7 -5.122 -15.464 -3.544 1.00 62.33 C ATOM 0 H THR A 7 -5.425 -12.071 -4.577 1.00 55.03 H new ATOM 0 HA THR A 7 -4.226 -14.494 -5.692 1.00 43.34 H new ATOM 0 HB THR A 7 -6.712 -15.254 -4.953 1.00 43.01 H new ATOM 0 HG1 THR A 7 -7.227 -14.077 -2.993 1.00 22.12 H new ATOM 0 HG21 THR A 7 -5.747 -15.943 -2.791 1.00 62.33 H new ATOM 0 HG22 THR A 7 -4.617 -16.227 -4.136 1.00 62.33 H new ATOM 0 HG23 THR A 7 -4.379 -14.835 -3.053 1.00 62.33 H new ATOM 93 N ALA A 8 -5.662 -14.797 -7.729 1.00 30.53 N ATOM 94 CA ALA A 8 -6.354 -14.852 -9.010 1.00 73.22 C ATOM 95 C ALA A 8 -6.499 -16.291 -9.495 1.00 43.32 C ATOM 96 O ALA A 8 -5.863 -17.201 -8.964 1.00 61.52 O ATOM 97 CB ALA A 8 -5.616 -14.016 -10.045 1.00 11.10 C ATOM 0 H ALA A 8 -4.970 -15.534 -7.592 1.00 30.53 H new ATOM 0 HA ALA A 8 -7.354 -14.440 -8.872 1.00 73.22 H new ATOM 0 HB1 ALA A 8 -6.144 -14.066 -10.997 1.00 11.10 H new ATOM 0 HB2 ALA A 8 -5.570 -12.980 -9.710 1.00 11.10 H new ATOM 0 HB3 ALA A 8 -4.604 -14.402 -10.170 1.00 11.10 H new ATOM 103 N ARG A 9 -7.339 -16.488 -10.506 1.00 22.01 N ATOM 104 CA ARG A 9 -7.568 -17.817 -11.061 1.00 3.42 C ATOM 105 C ARG A 9 -7.215 -17.854 -12.545 1.00 33.10 C ATOM 106 O ARG A 9 -7.363 -16.858 -13.253 1.00 52.33 O ATOM 107 CB ARG A 9 -9.027 -18.231 -10.861 1.00 63.45 C ATOM 108 CG ARG A 9 -9.236 -19.182 -9.694 1.00 64.01 C ATOM 109 CD ARG A 9 -9.747 -18.449 -8.463 1.00 65.25 C ATOM 110 NE ARG A 9 -10.479 -19.336 -7.563 1.00 52.24 N ATOM 111 CZ ARG A 9 -11.117 -18.916 -6.476 1.00 42.24 C ATOM 112 NH1 ARG A 9 -11.112 -17.629 -6.157 1.00 31.25 N ATOM 113 NH2 ARG A 9 -11.762 -19.784 -5.707 1.00 45.30 N ATOM 0 H ARG A 9 -7.872 -15.745 -10.957 1.00 22.01 H new ATOM 0 HA ARG A 9 -6.923 -18.520 -10.535 1.00 3.42 H new ATOM 0 HB2 ARG A 9 -9.631 -17.337 -10.703 1.00 63.45 H new ATOM 0 HB3 ARG A 9 -9.390 -18.704 -11.774 1.00 63.45 H new ATOM 0 HG2 ARG A 9 -9.947 -19.958 -9.978 1.00 64.01 H new ATOM 0 HG3 ARG A 9 -8.297 -19.682 -9.458 1.00 64.01 H new ATOM 0 HD2 ARG A 9 -8.906 -18.005 -7.930 1.00 65.25 H new ATOM 0 HD3 ARG A 9 -10.396 -17.630 -8.772 1.00 65.25 H new ATOM 0 HE ARG A 9 -10.502 -20.332 -7.781 1.00 52.24 H new ATOM 0 HH11 ARG A 9 -10.618 -16.959 -6.747 1.00 31.25 H new ATOM 0 HH12 ARG A 9 -11.602 -17.309 -5.322 1.00 31.25 H new ATOM 0 HH21 ARG A 9 -11.768 -20.775 -5.950 1.00 45.30 H new ATOM 0 HH22 ARG A 9 -12.252 -19.461 -4.873 1.00 45.30 H new ATOM 127 N ILE A 10 -6.749 -19.009 -13.008 1.00 4.21 N ATOM 128 CA ILE A 10 -6.376 -19.176 -14.407 1.00 41.42 C ATOM 129 C ILE A 10 -7.513 -18.755 -15.333 1.00 24.33 C ATOM 130 O ILE A 10 -8.616 -19.295 -15.262 1.00 51.53 O ATOM 131 CB ILE A 10 -5.989 -20.634 -14.717 1.00 13.12 C ATOM 132 CG1 ILE A 10 -4.766 -21.045 -13.896 1.00 25.32 C ATOM 133 CG2 ILE A 10 -5.718 -20.806 -16.204 1.00 13.40 C ATOM 134 CD1 ILE A 10 -4.691 -22.532 -13.626 1.00 44.14 C ATOM 0 H ILE A 10 -6.621 -19.843 -12.435 1.00 4.21 H new ATOM 0 HA ILE A 10 -5.512 -18.535 -14.582 1.00 41.42 H new ATOM 0 HB ILE A 10 -6.822 -21.282 -14.443 1.00 13.12 H new ATOM 0 HG12 ILE A 10 -3.864 -20.734 -14.422 1.00 25.32 H new ATOM 0 HG13 ILE A 10 -4.781 -20.512 -12.946 1.00 25.32 H new ATOM 0 HG21 ILE A 10 -5.446 -21.842 -16.407 1.00 13.40 H new ATOM 0 HG22 ILE A 10 -6.614 -20.549 -16.769 1.00 13.40 H new ATOM 0 HG23 ILE A 10 -4.900 -20.151 -16.503 1.00 13.40 H new ATOM 0 HD11 ILE A 10 -3.799 -22.751 -13.039 1.00 44.14 H new ATOM 0 HD12 ILE A 10 -5.576 -22.846 -13.072 1.00 44.14 H new ATOM 0 HD13 ILE A 10 -4.644 -23.072 -14.572 1.00 44.14 H new ATOM 146 N GLY A 11 -7.234 -17.789 -16.202 1.00 50.24 N ATOM 147 CA GLY A 11 -8.243 -17.313 -17.131 1.00 64.43 C ATOM 148 C GLY A 11 -9.082 -16.192 -16.552 1.00 44.20 C ATOM 149 O GLY A 11 -10.029 -15.727 -17.185 1.00 1.00 O ATOM 0 H GLY A 11 -6.328 -17.327 -16.280 1.00 50.24 H new ATOM 0 HA2 GLY A 11 -7.758 -16.965 -18.043 1.00 64.43 H new ATOM 0 HA3 GLY A 11 -8.893 -18.141 -17.412 1.00 64.43 H new ATOM 153 N GLU A 12 -8.734 -15.758 -15.345 1.00 10.54 N ATOM 154 CA GLU A 12 -9.465 -14.685 -14.680 1.00 23.03 C ATOM 155 C GLU A 12 -8.713 -13.362 -14.794 1.00 24.22 C ATOM 156 O GLU A 12 -7.488 -13.303 -14.678 1.00 73.13 O ATOM 157 CB GLU A 12 -9.692 -15.030 -13.206 1.00 42.33 C ATOM 158 CG GLU A 12 -10.443 -16.334 -12.995 1.00 1.50 C ATOM 159 CD GLU A 12 -11.612 -16.494 -13.947 1.00 61.33 C ATOM 160 OE1 GLU A 12 -12.516 -15.633 -13.929 1.00 44.20 O ATOM 161 OE2 GLU A 12 -11.622 -17.482 -14.711 1.00 74.32 O ATOM 0 H GLU A 12 -7.952 -16.132 -14.808 1.00 10.54 H new ATOM 0 HA GLU A 12 -10.431 -14.578 -15.174 1.00 23.03 H new ATOM 0 HB2 GLU A 12 -8.727 -15.091 -12.703 1.00 42.33 H new ATOM 0 HB3 GLU A 12 -10.247 -14.220 -12.733 1.00 42.33 H new ATOM 0 HG2 GLU A 12 -9.756 -17.170 -13.126 1.00 1.50 H new ATOM 0 HG3 GLU A 12 -10.807 -16.378 -11.968 1.00 1.50 H new ATOM 168 N PRO A 13 -9.462 -12.274 -15.027 1.00 21.31 N ATOM 169 CA PRO A 13 -8.888 -10.932 -15.162 1.00 31.10 C ATOM 170 C PRO A 13 -8.348 -10.397 -13.840 1.00 45.04 C ATOM 171 O PRO A 13 -8.923 -10.640 -12.779 1.00 1.44 O ATOM 172 CB PRO A 13 -10.072 -10.086 -15.637 1.00 33.40 C ATOM 173 CG PRO A 13 -11.277 -10.809 -15.141 1.00 0.23 C ATOM 174 CD PRO A 13 -10.927 -12.271 -15.176 1.00 2.32 C ATOM 0 HA PRO A 13 -8.037 -10.919 -15.843 1.00 31.10 H new ATOM 0 HB2 PRO A 13 -10.023 -9.075 -15.234 1.00 33.40 H new ATOM 0 HB3 PRO A 13 -10.084 -9.996 -16.723 1.00 33.40 H new ATOM 0 HG2 PRO A 13 -11.533 -10.493 -14.130 1.00 0.23 H new ATOM 0 HG3 PRO A 13 -12.143 -10.600 -15.769 1.00 0.23 H new ATOM 0 HD2 PRO A 13 -11.414 -12.820 -14.370 1.00 2.32 H new ATOM 0 HD3 PRO A 13 -11.237 -12.736 -16.112 1.00 2.32 H new ATOM 182 N LEU A 14 -7.239 -9.668 -13.912 1.00 14.12 N ATOM 183 CA LEU A 14 -6.621 -9.097 -12.720 1.00 62.31 C ATOM 184 C LEU A 14 -6.011 -7.733 -13.024 1.00 2.44 C ATOM 185 O LEU A 14 -5.446 -7.518 -14.096 1.00 63.00 O ATOM 186 CB LEU A 14 -5.545 -10.040 -12.179 1.00 31.45 C ATOM 187 CG LEU A 14 -4.978 -9.692 -10.802 1.00 13.02 C ATOM 188 CD1 LEU A 14 -6.033 -9.891 -9.724 1.00 40.34 C ATOM 189 CD2 LEU A 14 -3.745 -10.532 -10.505 1.00 23.13 C ATOM 0 H LEU A 14 -6.750 -9.459 -14.782 1.00 14.12 H new ATOM 0 HA LEU A 14 -7.396 -8.968 -11.965 1.00 62.31 H new ATOM 0 HB2 LEU A 14 -5.961 -11.046 -12.135 1.00 31.45 H new ATOM 0 HB3 LEU A 14 -4.722 -10.067 -12.893 1.00 31.45 H new ATOM 0 HG LEU A 14 -4.685 -8.642 -10.806 1.00 13.02 H new ATOM 0 HD11 LEU A 14 -5.611 -9.639 -8.751 1.00 40.34 H new ATOM 0 HD12 LEU A 14 -6.887 -9.246 -9.928 1.00 40.34 H new ATOM 0 HD13 LEU A 14 -6.357 -10.932 -9.720 1.00 40.34 H new ATOM 0 HD21 LEU A 14 -3.355 -10.271 -9.521 1.00 23.13 H new ATOM 0 HD22 LEU A 14 -4.012 -11.589 -10.521 1.00 23.13 H new ATOM 0 HD23 LEU A 14 -2.983 -10.339 -11.260 1.00 23.13 H new ATOM 201 N VAL A 15 -6.127 -6.813 -12.071 1.00 32.02 N ATOM 202 CA VAL A 15 -5.584 -5.470 -12.234 1.00 54.34 C ATOM 203 C VAL A 15 -4.601 -5.135 -11.119 1.00 2.21 C ATOM 204 O VAL A 15 -4.758 -5.582 -9.982 1.00 74.10 O ATOM 205 CB VAL A 15 -6.703 -4.411 -12.253 1.00 2.13 C ATOM 206 CG1 VAL A 15 -6.137 -3.043 -12.601 1.00 53.53 C ATOM 207 CG2 VAL A 15 -7.797 -4.809 -13.231 1.00 74.51 C ATOM 0 H VAL A 15 -6.592 -6.974 -11.178 1.00 32.02 H new ATOM 0 HA VAL A 15 -5.062 -5.454 -13.191 1.00 54.34 H new ATOM 0 HB VAL A 15 -7.142 -4.354 -11.257 1.00 2.13 H new ATOM 0 HG11 VAL A 15 -6.942 -2.308 -12.610 1.00 53.53 H new ATOM 0 HG12 VAL A 15 -5.393 -2.757 -11.858 1.00 53.53 H new ATOM 0 HG13 VAL A 15 -5.670 -3.082 -13.585 1.00 53.53 H new ATOM 0 HG21 VAL A 15 -8.579 -4.050 -13.231 1.00 74.51 H new ATOM 0 HG22 VAL A 15 -7.376 -4.896 -14.232 1.00 74.51 H new ATOM 0 HG23 VAL A 15 -8.222 -5.767 -12.931 1.00 74.51 H new ATOM 217 N LEU A 16 -3.585 -4.345 -11.450 1.00 55.05 N ATOM 218 CA LEU A 16 -2.575 -3.949 -10.476 1.00 43.52 C ATOM 219 C LEU A 16 -2.323 -2.445 -10.534 1.00 32.25 C ATOM 220 O LEU A 16 -2.431 -1.826 -11.592 1.00 74.34 O ATOM 221 CB LEU A 16 -1.270 -4.705 -10.729 1.00 63.40 C ATOM 222 CG LEU A 16 -1.314 -6.216 -10.495 1.00 4.12 C ATOM 223 CD1 LEU A 16 0.069 -6.824 -10.670 1.00 43.34 C ATOM 224 CD2 LEU A 16 -1.862 -6.525 -9.109 1.00 51.05 C ATOM 0 H LEU A 16 -3.439 -3.966 -12.386 1.00 55.05 H new ATOM 0 HA LEU A 16 -2.946 -4.199 -9.482 1.00 43.52 H new ATOM 0 HB2 LEU A 16 -0.963 -4.526 -11.760 1.00 63.40 H new ATOM 0 HB3 LEU A 16 -0.497 -4.280 -10.088 1.00 63.40 H new ATOM 0 HG LEU A 16 -1.980 -6.660 -11.235 1.00 4.12 H new ATOM 0 HD11 LEU A 16 0.018 -7.899 -10.500 1.00 43.34 H new ATOM 0 HD12 LEU A 16 0.425 -6.634 -11.683 1.00 43.34 H new ATOM 0 HD13 LEU A 16 0.757 -6.375 -9.953 1.00 43.34 H new ATOM 0 HD21 LEU A 16 -1.886 -7.604 -8.960 1.00 51.05 H new ATOM 0 HD22 LEU A 16 -1.221 -6.069 -8.354 1.00 51.05 H new ATOM 0 HD23 LEU A 16 -2.871 -6.124 -9.019 1.00 51.05 H new ATOM 236 N LYS A 17 -1.985 -1.863 -9.388 1.00 62.11 N ATOM 237 CA LYS A 17 -1.714 -0.433 -9.307 1.00 3.31 C ATOM 238 C LYS A 17 -0.239 -0.174 -9.014 1.00 73.03 C ATOM 239 O LYS A 17 0.420 -0.969 -8.343 1.00 52.22 O ATOM 240 CB LYS A 17 -2.580 0.211 -8.222 1.00 75.21 C ATOM 241 CG LYS A 17 -2.518 1.728 -8.214 1.00 42.32 C ATOM 242 CD LYS A 17 -3.729 2.333 -7.524 1.00 22.24 C ATOM 243 CE LYS A 17 -4.961 2.283 -8.414 1.00 43.53 C ATOM 244 NZ LYS A 17 -6.220 2.274 -7.619 1.00 61.33 N ATOM 0 H LYS A 17 -1.892 -2.360 -8.502 1.00 62.11 H new ATOM 0 HA LYS A 17 -1.959 0.012 -10.271 1.00 3.31 H new ATOM 0 HB2 LYS A 17 -3.615 -0.101 -8.362 1.00 75.21 H new ATOM 0 HB3 LYS A 17 -2.264 -0.162 -7.248 1.00 75.21 H new ATOM 0 HG2 LYS A 17 -1.609 2.053 -7.707 1.00 42.32 H new ATOM 0 HG3 LYS A 17 -2.460 2.096 -9.238 1.00 42.32 H new ATOM 0 HD2 LYS A 17 -3.927 1.795 -6.597 1.00 22.24 H new ATOM 0 HD3 LYS A 17 -3.516 3.367 -7.254 1.00 22.24 H new ATOM 0 HE2 LYS A 17 -4.960 3.143 -9.083 1.00 43.53 H new ATOM 0 HE3 LYS A 17 -4.921 1.392 -9.040 1.00 43.53 H new ATOM 0 HZ1 LYS A 17 -7.037 2.240 -8.262 1.00 61.33 H new ATOM 0 HZ2 LYS A 17 -6.233 1.440 -6.998 1.00 61.33 H new ATOM 0 HZ3 LYS A 17 -6.271 3.137 -7.040 1.00 61.33 H new ATOM 258 N CYS A 18 0.273 0.943 -9.520 1.00 73.25 N ATOM 259 CA CYS A 18 1.669 1.307 -9.313 1.00 11.41 C ATOM 260 C CYS A 18 1.781 2.556 -8.443 1.00 24.13 C ATOM 261 O CYS A 18 1.602 3.677 -8.919 1.00 60.12 O ATOM 262 CB CYS A 18 2.361 1.545 -10.657 1.00 30.35 C ATOM 263 SG CYS A 18 2.323 0.109 -11.777 1.00 34.44 S ATOM 0 H CYS A 18 -0.259 1.612 -10.077 1.00 73.25 H new ATOM 0 HA CYS A 18 2.162 0.481 -8.800 1.00 11.41 H new ATOM 0 HB2 CYS A 18 1.887 2.392 -11.153 1.00 30.35 H new ATOM 0 HB3 CYS A 18 3.399 1.823 -10.475 1.00 30.35 H new ATOM 268 N LYS A 19 2.080 2.354 -7.164 1.00 21.11 N ATOM 269 CA LYS A 19 2.219 3.462 -6.226 1.00 33.41 C ATOM 270 C LYS A 19 3.133 4.543 -6.792 1.00 65.12 C ATOM 271 O LYS A 19 4.355 4.399 -6.791 1.00 43.11 O ATOM 272 CB LYS A 19 2.771 2.959 -4.890 1.00 2.50 C ATOM 273 CG LYS A 19 1.696 2.674 -3.856 1.00 0.12 C ATOM 274 CD LYS A 19 0.893 1.435 -4.214 1.00 21.44 C ATOM 275 CE LYS A 19 -0.572 1.592 -3.839 1.00 14.44 C ATOM 276 NZ LYS A 19 -1.453 0.716 -4.660 1.00 24.32 N ATOM 0 H LYS A 19 2.231 1.433 -6.753 1.00 21.11 H new ATOM 0 HA LYS A 19 1.232 3.895 -6.064 1.00 33.41 H new ATOM 0 HB2 LYS A 19 3.346 2.050 -5.064 1.00 2.50 H new ATOM 0 HB3 LYS A 19 3.461 3.701 -4.489 1.00 2.50 H new ATOM 0 HG2 LYS A 19 2.157 2.540 -2.878 1.00 0.12 H new ATOM 0 HG3 LYS A 19 1.028 3.532 -3.778 1.00 0.12 H new ATOM 0 HD2 LYS A 19 0.977 1.242 -5.284 1.00 21.44 H new ATOM 0 HD3 LYS A 19 1.310 0.569 -3.700 1.00 21.44 H new ATOM 0 HE2 LYS A 19 -0.704 1.353 -2.784 1.00 14.44 H new ATOM 0 HE3 LYS A 19 -0.871 2.632 -3.970 1.00 14.44 H new ATOM 0 HZ1 LYS A 19 -2.447 0.983 -4.509 1.00 24.32 H new ATOM 0 HZ2 LYS A 19 -1.214 0.828 -5.666 1.00 24.32 H new ATOM 0 HZ3 LYS A 19 -1.315 -0.276 -4.380 1.00 24.32 H new ATOM 290 N GLY A 20 2.533 5.627 -7.274 1.00 62.04 N ATOM 291 CA GLY A 20 3.310 6.717 -7.836 1.00 15.14 C ATOM 292 C GLY A 20 2.567 7.453 -8.933 1.00 71.33 C ATOM 293 O GLY A 20 2.533 8.683 -8.953 1.00 23.34 O ATOM 0 H GLY A 20 1.523 5.770 -7.285 1.00 62.04 H new ATOM 0 HA2 GLY A 20 3.571 7.419 -7.044 1.00 15.14 H new ATOM 0 HA3 GLY A 20 4.245 6.324 -8.235 1.00 15.14 H new ATOM 434 N LEU A 29 7.269 5.845 -17.870 1.00 74.41 N ATOM 435 CA LEU A 29 7.367 4.835 -16.821 1.00 53.15 C ATOM 436 C LEU A 29 7.706 3.470 -17.410 1.00 71.53 C ATOM 437 O LEU A 29 7.541 3.242 -18.608 1.00 64.13 O ATOM 438 CB LEU A 29 6.054 4.754 -16.040 1.00 5.54 C ATOM 439 CG LEU A 29 4.781 4.628 -16.877 1.00 21.44 C ATOM 440 CD1 LEU A 29 4.644 3.217 -17.429 1.00 14.23 C ATOM 441 CD2 LEU A 29 3.560 5.000 -16.049 1.00 34.31 C ATOM 0 HA LEU A 29 8.169 5.127 -16.143 1.00 53.15 H new ATOM 0 HB2 LEU A 29 6.108 3.899 -15.366 1.00 5.54 H new ATOM 0 HB3 LEU A 29 5.969 5.645 -15.418 1.00 5.54 H new ATOM 0 HG LEU A 29 4.850 5.320 -17.717 1.00 21.44 H new ATOM 0 HD11 LEU A 29 3.732 3.145 -18.022 1.00 14.23 H new ATOM 0 HD12 LEU A 29 5.505 2.987 -18.057 1.00 14.23 H new ATOM 0 HD13 LEU A 29 4.597 2.506 -16.604 1.00 14.23 H new ATOM 0 HD21 LEU A 29 2.663 4.905 -16.661 1.00 34.31 H new ATOM 0 HD22 LEU A 29 3.486 4.333 -15.190 1.00 34.31 H new ATOM 0 HD23 LEU A 29 3.655 6.029 -15.702 1.00 34.31 H new ATOM 453 N GLU A 30 8.178 2.564 -16.559 1.00 11.32 N ATOM 454 CA GLU A 30 8.539 1.221 -16.996 1.00 35.44 C ATOM 455 C GLU A 30 7.734 0.168 -16.239 1.00 15.13 C ATOM 456 O GLU A 30 7.399 0.351 -15.068 1.00 62.32 O ATOM 457 CB GLU A 30 10.035 0.978 -16.791 1.00 4.30 C ATOM 458 CG GLU A 30 10.667 0.119 -17.874 1.00 14.51 C ATOM 459 CD GLU A 30 10.590 0.761 -19.246 1.00 3.13 C ATOM 460 OE1 GLU A 30 9.550 0.601 -19.918 1.00 13.33 O ATOM 461 OE2 GLU A 30 11.570 1.422 -19.647 1.00 44.34 O ATOM 0 H GLU A 30 8.319 2.736 -15.564 1.00 11.32 H new ATOM 0 HA GLU A 30 8.307 1.138 -18.058 1.00 35.44 H new ATOM 0 HB2 GLU A 30 10.549 1.939 -16.755 1.00 4.30 H new ATOM 0 HB3 GLU A 30 10.187 0.499 -15.824 1.00 4.30 H new ATOM 0 HG2 GLU A 30 11.711 -0.067 -17.622 1.00 14.51 H new ATOM 0 HG3 GLU A 30 10.168 -0.850 -17.902 1.00 14.51 H new ATOM 468 N TRP A 31 7.426 -0.932 -16.916 1.00 31.23 N ATOM 469 CA TRP A 31 6.660 -2.014 -16.308 1.00 35.11 C ATOM 470 C TRP A 31 7.369 -3.352 -16.488 1.00 1.43 C ATOM 471 O TRP A 31 7.811 -3.689 -17.586 1.00 44.42 O ATOM 472 CB TRP A 31 5.259 -2.080 -16.918 1.00 54.13 C ATOM 473 CG TRP A 31 4.164 -2.070 -15.895 1.00 33.32 C ATOM 474 CD1 TRP A 31 3.295 -1.049 -15.634 1.00 30.54 C ATOM 475 CD2 TRP A 31 3.822 -3.130 -14.995 1.00 64.41 C ATOM 476 NE1 TRP A 31 2.434 -1.411 -14.625 1.00 61.24 N ATOM 477 CE2 TRP A 31 2.736 -2.683 -14.217 1.00 63.44 C ATOM 478 CE3 TRP A 31 4.327 -4.414 -14.772 1.00 60.31 C ATOM 479 CZ2 TRP A 31 2.149 -3.475 -13.234 1.00 65.30 C ATOM 480 CZ3 TRP A 31 3.744 -5.199 -13.796 1.00 13.04 C ATOM 481 CH2 TRP A 31 2.664 -4.728 -13.037 1.00 12.01 C ATOM 0 H TRP A 31 7.695 -1.098 -17.886 1.00 31.23 H new ATOM 0 HA TRP A 31 6.575 -1.810 -15.241 1.00 35.11 H new ATOM 0 HB2 TRP A 31 5.124 -1.234 -17.592 1.00 54.13 H new ATOM 0 HB3 TRP A 31 5.175 -2.985 -17.520 1.00 54.13 H new ATOM 0 HD1 TRP A 31 3.286 -0.098 -16.145 1.00 30.54 H new ATOM 0 HE1 TRP A 31 1.691 -0.827 -14.242 1.00 61.24 H new ATOM 0 HE3 TRP A 31 5.158 -4.786 -15.352 1.00 60.31 H new ATOM 0 HZ2 TRP A 31 1.317 -3.114 -12.648 1.00 65.30 H new ATOM 0 HZ3 TRP A 31 4.127 -6.192 -13.615 1.00 13.04 H new ATOM 0 HH2 TRP A 31 2.229 -5.366 -12.282 1.00 12.01 H new ATOM 492 N LYS A 32 7.475 -4.111 -15.403 1.00 33.04 N ATOM 493 CA LYS A 32 8.129 -5.413 -15.440 1.00 64.33 C ATOM 494 C LYS A 32 7.315 -6.454 -14.679 1.00 74.23 C ATOM 495 O LYS A 32 6.721 -6.156 -13.642 1.00 52.22 O ATOM 496 CB LYS A 32 9.536 -5.317 -14.846 1.00 23.22 C ATOM 497 CG LYS A 32 10.531 -6.275 -15.479 1.00 11.11 C ATOM 498 CD LYS A 32 11.949 -5.736 -15.404 1.00 5.41 C ATOM 499 CE LYS A 32 12.527 -5.880 -14.004 1.00 65.15 C ATOM 500 NZ LYS A 32 13.546 -4.833 -13.714 1.00 61.22 N ATOM 0 H LYS A 32 7.116 -3.846 -14.486 1.00 33.04 H new ATOM 0 HA LYS A 32 8.201 -5.725 -16.482 1.00 64.33 H new ATOM 0 HB2 LYS A 32 9.902 -4.297 -14.963 1.00 23.22 H new ATOM 0 HB3 LYS A 32 9.484 -5.516 -13.776 1.00 23.22 H new ATOM 0 HG2 LYS A 32 10.480 -7.240 -14.974 1.00 11.11 H new ATOM 0 HG3 LYS A 32 10.260 -6.446 -16.521 1.00 11.11 H new ATOM 0 HD2 LYS A 32 12.580 -6.268 -16.116 1.00 5.41 H new ATOM 0 HD3 LYS A 32 11.956 -4.686 -15.695 1.00 5.41 H new ATOM 0 HE2 LYS A 32 11.723 -5.817 -13.271 1.00 65.15 H new ATOM 0 HE3 LYS A 32 12.979 -6.866 -13.897 1.00 65.15 H new ATOM 0 HZ1 LYS A 32 13.916 -4.966 -12.751 1.00 61.22 H new ATOM 0 HZ2 LYS A 32 14.326 -4.909 -14.398 1.00 61.22 H new ATOM 0 HZ3 LYS A 32 13.109 -3.892 -13.791 1.00 61.22 H new ATOM 514 N LEU A 33 7.291 -7.676 -15.199 1.00 63.44 N ATOM 515 CA LEU A 33 6.550 -8.763 -14.568 1.00 3.33 C ATOM 516 C LEU A 33 7.351 -10.061 -14.603 1.00 54.35 C ATOM 517 O LEU A 33 7.919 -10.423 -15.633 1.00 14.22 O ATOM 518 CB LEU A 33 5.204 -8.961 -15.266 1.00 34.13 C ATOM 519 CG LEU A 33 4.637 -10.381 -15.239 1.00 15.11 C ATOM 520 CD1 LEU A 33 4.269 -10.782 -13.819 1.00 23.42 C ATOM 521 CD2 LEU A 33 3.427 -10.489 -16.156 1.00 33.34 C ATOM 0 H LEU A 33 7.776 -7.939 -16.057 1.00 63.44 H new ATOM 0 HA LEU A 33 6.376 -8.494 -13.526 1.00 3.33 H new ATOM 0 HB2 LEU A 33 4.477 -8.292 -14.806 1.00 34.13 H new ATOM 0 HB3 LEU A 33 5.308 -8.652 -16.306 1.00 34.13 H new ATOM 0 HG LEU A 33 5.405 -11.065 -15.600 1.00 15.11 H new ATOM 0 HD11 LEU A 33 3.867 -11.795 -13.820 1.00 23.42 H new ATOM 0 HD12 LEU A 33 5.157 -10.744 -13.188 1.00 23.42 H new ATOM 0 HD13 LEU A 33 3.518 -10.094 -13.430 1.00 23.42 H new ATOM 0 HD21 LEU A 33 3.036 -11.506 -16.125 1.00 33.34 H new ATOM 0 HD22 LEU A 33 2.656 -9.794 -15.824 1.00 33.34 H new ATOM 0 HD23 LEU A 33 3.721 -10.245 -17.177 1.00 33.34 H new ATOM 533 N ASN A 34 7.389 -10.758 -13.472 1.00 52.44 N ATOM 534 CA ASN A 34 8.118 -12.017 -13.375 1.00 1.22 C ATOM 535 C ASN A 34 7.164 -13.179 -13.118 1.00 61.51 C ATOM 536 O ASN A 34 6.428 -13.187 -12.131 1.00 31.51 O ATOM 537 CB ASN A 34 9.160 -11.941 -12.257 1.00 63.32 C ATOM 538 CG ASN A 34 9.679 -13.309 -11.857 1.00 14.04 C ATOM 539 OD1 ASN A 34 9.758 -13.632 -10.671 1.00 74.54 O ATOM 540 ND2 ASN A 34 10.035 -14.119 -12.846 1.00 62.53 N ATOM 0 H ASN A 34 6.924 -10.472 -12.610 1.00 52.44 H new ATOM 0 HA ASN A 34 8.625 -12.190 -14.324 1.00 1.22 H new ATOM 0 HB2 ASN A 34 9.994 -11.320 -12.583 1.00 63.32 H new ATOM 0 HB3 ASN A 34 8.721 -11.453 -11.387 1.00 63.32 H new ATOM 0 HD21 ASN A 34 10.391 -15.052 -12.638 1.00 62.53 H new ATOM 0 HD22 ASN A 34 9.952 -13.809 -13.814 1.00 62.53 H new ATOM 547 N THR A 35 7.183 -14.162 -14.014 1.00 14.13 N ATOM 548 CA THR A 35 6.320 -15.329 -13.885 1.00 72.53 C ATOM 549 C THR A 35 7.071 -16.609 -14.235 1.00 32.22 C ATOM 550 O THR A 35 8.232 -16.568 -14.639 1.00 71.32 O ATOM 551 CB THR A 35 5.078 -15.213 -14.790 1.00 5.12 C ATOM 552 OG1 THR A 35 5.390 -15.670 -16.111 1.00 1.34 O ATOM 553 CG2 THR A 35 4.585 -13.775 -14.848 1.00 73.23 C ATOM 0 H THR A 35 7.787 -14.172 -14.836 1.00 14.13 H new ATOM 0 HA THR A 35 5.999 -15.371 -12.844 1.00 72.53 H new ATOM 0 HB THR A 35 4.288 -15.835 -14.369 1.00 5.12 H new ATOM 0 HG1 THR A 35 4.688 -16.279 -16.421 1.00 1.34 H new ATOM 0 HG21 THR A 35 3.708 -13.717 -15.492 1.00 73.23 H new ATOM 0 HG22 THR A 35 4.321 -13.440 -13.845 1.00 73.23 H new ATOM 0 HG23 THR A 35 5.372 -13.136 -15.248 1.00 73.23 H new ATOM 561 N GLY A 36 6.399 -17.746 -14.077 1.00 25.04 N ATOM 562 CA GLY A 36 7.020 -19.022 -14.381 1.00 32.22 C ATOM 563 C GLY A 36 8.032 -19.439 -13.333 1.00 22.35 C ATOM 564 O GLY A 36 7.746 -19.406 -12.136 1.00 31.04 O ATOM 0 H GLY A 36 5.437 -17.806 -13.744 1.00 25.04 H new ATOM 0 HA2 GLY A 36 6.249 -19.788 -14.462 1.00 32.22 H new ATOM 0 HA3 GLY A 36 7.511 -18.961 -15.352 1.00 32.22 H new ATOM 568 N ARG A 37 9.219 -19.835 -13.782 1.00 54.42 N ATOM 569 CA ARG A 37 10.276 -20.263 -12.874 1.00 51.23 C ATOM 570 C ARG A 37 11.441 -19.277 -12.893 1.00 33.32 C ATOM 571 O ARG A 37 12.053 -19.003 -11.860 1.00 52.51 O ATOM 572 CB ARG A 37 10.770 -21.660 -13.255 1.00 53.33 C ATOM 573 CG ARG A 37 10.066 -22.780 -12.507 1.00 12.33 C ATOM 574 CD ARG A 37 8.630 -22.948 -12.977 1.00 54.42 C ATOM 575 NE ARG A 37 8.552 -23.228 -14.408 1.00 53.13 N ATOM 576 CZ ARG A 37 8.765 -24.429 -14.935 1.00 13.23 C ATOM 577 NH1 ARG A 37 9.067 -25.455 -14.152 1.00 35.33 N ATOM 578 NH2 ARG A 37 8.675 -24.605 -16.247 1.00 3.22 N ATOM 0 H ARG A 37 9.472 -19.868 -14.769 1.00 54.42 H new ATOM 0 HA ARG A 37 9.864 -20.293 -11.865 1.00 51.23 H new ATOM 0 HB2 ARG A 37 10.630 -21.806 -14.326 1.00 53.33 H new ATOM 0 HB3 ARG A 37 11.841 -21.723 -13.062 1.00 53.33 H new ATOM 0 HG2 ARG A 37 10.609 -23.714 -12.653 1.00 12.33 H new ATOM 0 HG3 ARG A 37 10.077 -22.568 -11.438 1.00 12.33 H new ATOM 0 HD2 ARG A 37 8.160 -23.760 -12.423 1.00 54.42 H new ATOM 0 HD3 ARG A 37 8.067 -22.042 -12.754 1.00 54.42 H new ATOM 0 HE ARG A 37 8.321 -22.459 -15.038 1.00 53.13 H new ATOM 0 HH11 ARG A 37 9.136 -25.323 -13.143 1.00 35.33 H new ATOM 0 HH12 ARG A 37 9.230 -26.376 -14.559 1.00 35.33 H new ATOM 0 HH21 ARG A 37 8.442 -23.818 -16.852 1.00 3.22 H new ATOM 0 HH22 ARG A 37 8.839 -25.527 -16.650 1.00 3.22 H new ATOM 592 N THR A 38 11.743 -18.748 -14.074 1.00 52.03 N ATOM 593 CA THR A 38 12.834 -17.795 -14.228 1.00 45.22 C ATOM 594 C THR A 38 12.959 -17.330 -15.675 1.00 31.23 C ATOM 595 O THR A 38 13.386 -16.207 -15.940 1.00 63.33 O ATOM 596 CB THR A 38 14.177 -18.401 -13.778 1.00 62.14 C ATOM 597 OG1 THR A 38 15.138 -17.361 -13.565 1.00 15.41 O ATOM 598 CG2 THR A 38 14.704 -19.379 -14.817 1.00 63.43 C ATOM 0 H THR A 38 11.247 -18.964 -14.939 1.00 52.03 H new ATOM 0 HA THR A 38 12.598 -16.940 -13.594 1.00 45.22 H new ATOM 0 HB THR A 38 14.012 -18.939 -12.845 1.00 62.14 H new ATOM 0 HG1 THR A 38 15.988 -17.755 -13.278 1.00 15.41 H new ATOM 0 HG21 THR A 38 15.653 -19.794 -14.478 1.00 63.43 H new ATOM 0 HG22 THR A 38 13.984 -20.186 -14.956 1.00 63.43 H new ATOM 0 HG23 THR A 38 14.853 -18.859 -15.763 1.00 63.43 H new ATOM 606 N GLU A 39 12.582 -18.201 -16.606 1.00 22.12 N ATOM 607 CA GLU A 39 12.653 -17.878 -18.026 1.00 35.10 C ATOM 608 C GLU A 39 11.272 -17.524 -18.572 1.00 63.34 C ATOM 609 O GLU A 39 10.961 -17.804 -19.730 1.00 32.14 O ATOM 610 CB GLU A 39 13.238 -19.054 -18.811 1.00 33.02 C ATOM 611 CG GLU A 39 14.701 -19.323 -18.503 1.00 30.54 C ATOM 612 CD GLU A 39 15.098 -20.763 -18.768 1.00 53.34 C ATOM 613 OE1 GLU A 39 14.322 -21.477 -19.437 1.00 70.42 O ATOM 614 OE2 GLU A 39 16.183 -21.174 -18.308 1.00 32.43 O ATOM 0 H GLU A 39 12.225 -19.134 -16.403 1.00 22.12 H new ATOM 0 HA GLU A 39 13.305 -17.012 -18.144 1.00 35.10 H new ATOM 0 HB2 GLU A 39 12.658 -19.951 -18.592 1.00 33.02 H new ATOM 0 HB3 GLU A 39 13.130 -18.858 -19.878 1.00 33.02 H new ATOM 0 HG2 GLU A 39 15.323 -18.662 -19.106 1.00 30.54 H new ATOM 0 HG3 GLU A 39 14.899 -19.082 -17.459 1.00 30.54 H new ATOM 621 N ALA A 40 10.449 -16.908 -17.731 1.00 4.35 N ATOM 622 CA ALA A 40 9.104 -16.514 -18.128 1.00 75.15 C ATOM 623 C ALA A 40 8.872 -15.027 -17.886 1.00 1.54 C ATOM 624 O ALA A 40 7.839 -14.479 -18.270 1.00 51.21 O ATOM 625 CB ALA A 40 8.069 -17.340 -17.379 1.00 72.42 C ATOM 0 H ALA A 40 10.691 -16.671 -16.769 1.00 4.35 H new ATOM 0 HA ALA A 40 8.999 -16.702 -19.197 1.00 75.15 H new ATOM 0 HB1 ALA A 40 7.069 -17.035 -17.686 1.00 72.42 H new ATOM 0 HB2 ALA A 40 8.212 -18.396 -17.607 1.00 72.42 H new ATOM 0 HB3 ALA A 40 8.184 -17.182 -16.307 1.00 72.42 H new ATOM 631 N TRP A 41 9.839 -14.379 -17.245 1.00 70.33 N ATOM 632 CA TRP A 41 9.739 -12.954 -16.951 1.00 24.34 C ATOM 633 C TRP A 41 9.651 -12.138 -18.235 1.00 52.31 C ATOM 634 O TRP A 41 10.442 -12.328 -19.159 1.00 55.35 O ATOM 635 CB TRP A 41 10.943 -12.498 -16.124 1.00 34.34 C ATOM 636 CG TRP A 41 12.226 -12.488 -16.898 1.00 31.33 C ATOM 637 CD1 TRP A 41 12.874 -13.569 -17.424 1.00 22.12 C ATOM 638 CD2 TRP A 41 13.017 -11.342 -17.231 1.00 31.33 C ATOM 639 NE1 TRP A 41 14.021 -13.164 -18.064 1.00 34.02 N ATOM 640 CE2 TRP A 41 14.131 -11.803 -17.960 1.00 55.44 C ATOM 641 CE3 TRP A 41 12.892 -9.972 -16.986 1.00 20.35 C ATOM 642 CZ2 TRP A 41 15.111 -10.940 -18.444 1.00 71.53 C ATOM 643 CZ3 TRP A 41 13.866 -9.118 -17.466 1.00 61.11 C ATOM 644 CH2 TRP A 41 14.963 -9.604 -18.189 1.00 64.14 C ATOM 0 H TRP A 41 10.700 -14.818 -16.919 1.00 70.33 H new ATOM 0 HA TRP A 41 8.828 -12.790 -16.376 1.00 24.34 H new ATOM 0 HB2 TRP A 41 10.752 -11.496 -15.739 1.00 34.34 H new ATOM 0 HB3 TRP A 41 11.052 -13.156 -15.262 1.00 34.34 H new ATOM 0 HD1 TRP A 41 12.535 -14.592 -17.348 1.00 22.12 H new ATOM 0 HE1 TRP A 41 14.683 -13.778 -18.539 1.00 34.02 H new ATOM 0 HE3 TRP A 41 12.049 -9.588 -16.431 1.00 20.35 H new ATOM 0 HZ2 TRP A 41 15.958 -11.312 -19.001 1.00 71.53 H new ATOM 0 HZ3 TRP A 41 13.780 -8.057 -17.281 1.00 61.11 H new ATOM 0 HH2 TRP A 41 15.707 -8.910 -18.552 1.00 64.14 H new ATOM 655 N LYS A 42 8.684 -11.228 -18.287 1.00 41.41 N ATOM 656 CA LYS A 42 8.493 -10.380 -19.458 1.00 34.10 C ATOM 657 C LYS A 42 8.421 -8.909 -19.059 1.00 65.43 C ATOM 658 O LYS A 42 8.056 -8.579 -17.931 1.00 42.42 O ATOM 659 CB LYS A 42 7.215 -10.781 -20.200 1.00 5.32 C ATOM 660 CG LYS A 42 6.828 -12.236 -20.001 1.00 52.22 C ATOM 661 CD LYS A 42 5.916 -12.411 -18.798 1.00 42.22 C ATOM 662 CE LYS A 42 4.549 -11.790 -19.040 1.00 74.53 C ATOM 663 NZ LYS A 42 3.926 -12.293 -20.296 1.00 31.40 N ATOM 0 H LYS A 42 8.020 -11.059 -17.531 1.00 41.41 H new ATOM 0 HA LYS A 42 9.349 -10.518 -20.119 1.00 34.10 H new ATOM 0 HB2 LYS A 42 6.395 -10.146 -19.864 1.00 5.32 H new ATOM 0 HB3 LYS A 42 7.348 -10.592 -21.265 1.00 5.32 H new ATOM 0 HG2 LYS A 42 6.327 -12.606 -20.896 1.00 52.22 H new ATOM 0 HG3 LYS A 42 7.727 -12.838 -19.868 1.00 52.22 H new ATOM 0 HD2 LYS A 42 5.801 -13.472 -18.579 1.00 42.22 H new ATOM 0 HD3 LYS A 42 6.375 -11.953 -17.922 1.00 42.22 H new ATOM 0 HE2 LYS A 42 3.895 -12.011 -18.196 1.00 74.53 H new ATOM 0 HE3 LYS A 42 4.647 -10.706 -19.092 1.00 74.53 H new ATOM 0 HZ1 LYS A 42 2.902 -12.115 -20.271 1.00 31.40 H new ATOM 0 HZ2 LYS A 42 4.343 -11.801 -21.112 1.00 31.40 H new ATOM 0 HZ3 LYS A 42 4.097 -13.315 -20.383 1.00 31.40 H new ATOM 677 N VAL A 43 8.772 -8.030 -19.993 1.00 34.31 N ATOM 678 CA VAL A 43 8.745 -6.595 -19.740 1.00 12.35 C ATOM 679 C VAL A 43 7.496 -5.955 -20.335 1.00 40.35 C ATOM 680 O VAL A 43 7.265 -6.025 -21.543 1.00 72.33 O ATOM 681 CB VAL A 43 9.991 -5.899 -20.319 1.00 21.22 C ATOM 682 CG1 VAL A 43 9.922 -4.398 -20.085 1.00 52.32 C ATOM 683 CG2 VAL A 43 11.257 -6.484 -19.712 1.00 4.35 C ATOM 0 H VAL A 43 9.078 -8.287 -20.931 1.00 34.31 H new ATOM 0 HA VAL A 43 8.736 -6.465 -18.658 1.00 12.35 H new ATOM 0 HB VAL A 43 10.016 -6.073 -21.395 1.00 21.22 H new ATOM 0 HG11 VAL A 43 10.811 -3.924 -20.501 1.00 52.32 H new ATOM 0 HG12 VAL A 43 9.034 -3.994 -20.571 1.00 52.32 H new ATOM 0 HG13 VAL A 43 9.872 -4.199 -19.015 1.00 52.32 H new ATOM 0 HG21 VAL A 43 12.128 -5.981 -20.132 1.00 4.35 H new ATOM 0 HG22 VAL A 43 11.242 -6.342 -18.631 1.00 4.35 H new ATOM 0 HG23 VAL A 43 11.310 -7.549 -19.937 1.00 4.35 H new ATOM 693 N LEU A 44 6.693 -5.330 -19.481 1.00 44.53 N ATOM 694 CA LEU A 44 5.467 -4.675 -19.923 1.00 33.20 C ATOM 695 C LEU A 44 5.700 -3.187 -20.165 1.00 32.34 C ATOM 696 O LEU A 44 6.505 -2.556 -19.481 1.00 5.10 O ATOM 697 CB LEU A 44 4.360 -4.868 -18.884 1.00 43.43 C ATOM 698 CG LEU A 44 3.506 -6.126 -19.039 1.00 74.04 C ATOM 699 CD1 LEU A 44 2.560 -5.987 -20.223 1.00 4.23 C ATOM 700 CD2 LEU A 44 4.389 -7.354 -19.202 1.00 22.21 C ATOM 0 H LEU A 44 6.869 -5.263 -18.479 1.00 44.53 H new ATOM 0 HA LEU A 44 5.159 -5.132 -20.863 1.00 33.20 H new ATOM 0 HB2 LEU A 44 4.817 -4.883 -17.894 1.00 43.43 H new ATOM 0 HB3 LEU A 44 3.702 -4.000 -18.918 1.00 43.43 H new ATOM 0 HG LEU A 44 2.909 -6.250 -18.135 1.00 74.04 H new ATOM 0 HD11 LEU A 44 1.960 -6.892 -20.318 1.00 4.23 H new ATOM 0 HD12 LEU A 44 1.903 -5.131 -20.066 1.00 4.23 H new ATOM 0 HD13 LEU A 44 3.138 -5.838 -21.135 1.00 4.23 H new ATOM 0 HD21 LEU A 44 3.764 -8.240 -19.311 1.00 22.21 H new ATOM 0 HD22 LEU A 44 5.013 -7.239 -20.089 1.00 22.21 H new ATOM 0 HD23 LEU A 44 5.025 -7.464 -18.323 1.00 22.21 H new ATOM 712 N SER A 45 4.988 -2.633 -21.140 1.00 54.24 N ATOM 713 CA SER A 45 5.118 -1.219 -21.473 1.00 71.14 C ATOM 714 C SER A 45 3.764 -0.518 -21.407 1.00 62.45 C ATOM 715 O SER A 45 2.708 -1.151 -21.406 1.00 22.42 O ATOM 716 CB SER A 45 5.722 -1.056 -22.870 1.00 11.15 C ATOM 717 OG SER A 45 5.661 -2.271 -23.597 1.00 11.32 O ATOM 0 H SER A 45 4.315 -3.141 -21.714 1.00 54.24 H new ATOM 0 HA SER A 45 5.782 -0.758 -20.741 1.00 71.14 H new ATOM 0 HB2 SER A 45 5.187 -0.277 -23.412 1.00 11.15 H new ATOM 0 HB3 SER A 45 6.759 -0.731 -22.786 1.00 11.15 H new ATOM 0 HG SER A 45 6.051 -2.140 -24.486 1.00 11.32 H new ATOM 723 N PRO A 46 3.795 0.821 -21.352 1.00 14.43 N ATOM 724 CA PRO A 46 2.579 1.639 -21.285 1.00 65.40 C ATOM 725 C PRO A 46 1.791 1.613 -22.590 1.00 44.12 C ATOM 726 O PRO A 46 0.748 2.255 -22.708 1.00 32.35 O ATOM 727 CB PRO A 46 3.114 3.047 -21.010 1.00 74.43 C ATOM 728 CG PRO A 46 4.500 3.039 -21.555 1.00 23.43 C ATOM 729 CD PRO A 46 5.018 1.642 -21.350 1.00 35.41 C ATOM 0 HA PRO A 46 1.885 1.277 -20.527 1.00 65.40 H new ATOM 0 HB2 PRO A 46 2.501 3.805 -21.497 1.00 74.43 H new ATOM 0 HB3 PRO A 46 3.109 3.271 -19.943 1.00 74.43 H new ATOM 0 HG2 PRO A 46 4.505 3.306 -22.612 1.00 23.43 H new ATOM 0 HG3 PRO A 46 5.126 3.767 -21.039 1.00 23.43 H new ATOM 0 HD2 PRO A 46 5.702 1.346 -22.146 1.00 35.41 H new ATOM 0 HD3 PRO A 46 5.563 1.549 -20.410 1.00 35.41 H new ATOM 737 N GLN A 47 2.298 0.868 -23.567 1.00 73.14 N ATOM 738 CA GLN A 47 1.640 0.760 -24.864 1.00 71.12 C ATOM 739 C GLN A 47 1.241 -0.683 -25.154 1.00 23.41 C ATOM 740 O GLN A 47 1.837 -1.344 -26.004 1.00 52.32 O ATOM 741 CB GLN A 47 2.559 1.280 -25.971 1.00 22.42 C ATOM 742 CG GLN A 47 1.875 1.403 -27.322 1.00 55.34 C ATOM 743 CD GLN A 47 0.688 2.347 -27.291 1.00 61.45 C ATOM 744 OE1 GLN A 47 0.851 3.567 -27.263 1.00 21.25 O ATOM 745 NE2 GLN A 47 -0.515 1.785 -27.298 1.00 12.24 N ATOM 0 H GLN A 47 3.161 0.331 -23.485 1.00 73.14 H new ATOM 0 HA GLN A 47 0.736 1.369 -24.836 1.00 71.12 H new ATOM 0 HB2 GLN A 47 2.948 2.256 -25.680 1.00 22.42 H new ATOM 0 HB3 GLN A 47 3.414 0.611 -26.066 1.00 22.42 H new ATOM 0 HG2 GLN A 47 2.596 1.756 -28.059 1.00 55.34 H new ATOM 0 HG3 GLN A 47 1.542 0.417 -27.648 1.00 55.34 H new ATOM 0 HE21 GLN A 47 -0.603 0.769 -27.322 1.00 12.24 H new ATOM 0 HE22 GLN A 47 -1.351 2.369 -27.280 1.00 12.24 H new ATOM 852 N ALA A 56 -1.419 -8.528 -21.910 1.00 51.41 N ATOM 853 CA ALA A 56 -2.175 -7.530 -21.163 1.00 52.14 C ATOM 854 C ALA A 56 -1.812 -6.118 -21.611 1.00 32.02 C ATOM 855 O ALA A 56 -0.897 -5.927 -22.412 1.00 0.55 O ATOM 856 CB ALA A 56 -1.931 -7.692 -19.670 1.00 54.43 C ATOM 0 HA ALA A 56 -3.235 -7.686 -21.365 1.00 52.14 H new ATOM 0 HB1 ALA A 56 -2.502 -6.940 -19.124 1.00 54.43 H new ATOM 0 HB2 ALA A 56 -2.247 -8.687 -19.355 1.00 54.43 H new ATOM 0 HB3 ALA A 56 -0.869 -7.565 -19.459 1.00 54.43 H new ATOM 862 N ARG A 57 -2.536 -5.133 -21.089 1.00 43.32 N ATOM 863 CA ARG A 57 -2.291 -3.738 -21.437 1.00 24.21 C ATOM 864 C ARG A 57 -2.037 -2.902 -20.186 1.00 23.52 C ATOM 865 O ARG A 57 -2.320 -3.336 -19.069 1.00 13.31 O ATOM 866 CB ARG A 57 -3.479 -3.167 -22.212 1.00 74.21 C ATOM 867 CG ARG A 57 -4.759 -3.970 -22.043 1.00 10.21 C ATOM 868 CD ARG A 57 -5.295 -3.871 -20.623 1.00 62.41 C ATOM 869 NE ARG A 57 -6.025 -2.627 -20.399 1.00 11.32 N ATOM 870 CZ ARG A 57 -7.259 -2.409 -20.839 1.00 74.32 C ATOM 871 NH1 ARG A 57 -7.898 -3.349 -21.523 1.00 43.44 N ATOM 872 NH2 ARG A 57 -7.858 -1.250 -20.595 1.00 22.52 N ATOM 0 H ARG A 57 -3.296 -5.275 -20.424 1.00 43.32 H new ATOM 0 HA ARG A 57 -1.402 -3.698 -22.067 1.00 24.21 H new ATOM 0 HB2 ARG A 57 -3.657 -2.143 -21.885 1.00 74.21 H new ATOM 0 HB3 ARG A 57 -3.224 -3.124 -23.271 1.00 74.21 H new ATOM 0 HG2 ARG A 57 -5.512 -3.608 -22.743 1.00 10.21 H new ATOM 0 HG3 ARG A 57 -4.570 -5.015 -22.290 1.00 10.21 H new ATOM 0 HD2 ARG A 57 -5.952 -4.718 -20.424 1.00 62.41 H new ATOM 0 HD3 ARG A 57 -4.467 -3.937 -19.918 1.00 62.41 H new ATOM 0 HE ARG A 57 -5.562 -1.884 -19.876 1.00 11.32 H new ATOM 0 HH11 ARG A 57 -7.442 -4.241 -21.712 1.00 43.44 H new ATOM 0 HH12 ARG A 57 -8.846 -3.179 -21.860 1.00 43.44 H new ATOM 0 HH21 ARG A 57 -7.371 -0.525 -20.069 1.00 22.52 H new ATOM 0 HH22 ARG A 57 -8.806 -1.084 -20.934 1.00 22.52 H new ATOM 886 N VAL A 58 -1.500 -1.702 -20.381 1.00 21.20 N ATOM 887 CA VAL A 58 -1.208 -0.805 -19.269 1.00 71.21 C ATOM 888 C VAL A 58 -2.186 0.364 -19.235 1.00 30.21 C ATOM 889 O VAL A 58 -2.437 1.008 -20.255 1.00 31.35 O ATOM 890 CB VAL A 58 0.229 -0.256 -19.353 1.00 75.21 C ATOM 891 CG1 VAL A 58 0.382 0.975 -18.474 1.00 11.43 C ATOM 892 CG2 VAL A 58 1.232 -1.330 -18.961 1.00 45.20 C ATOM 0 H VAL A 58 -1.258 -1.328 -21.299 1.00 21.20 H new ATOM 0 HA VAL A 58 -1.313 -1.389 -18.355 1.00 71.21 H new ATOM 0 HB VAL A 58 0.429 0.037 -20.384 1.00 75.21 H new ATOM 0 HG11 VAL A 58 1.403 1.349 -18.546 1.00 11.43 H new ATOM 0 HG12 VAL A 58 -0.312 1.748 -18.806 1.00 11.43 H new ATOM 0 HG13 VAL A 58 0.164 0.712 -17.439 1.00 11.43 H new ATOM 0 HG21 VAL A 58 2.242 -0.926 -19.026 1.00 45.20 H new ATOM 0 HG22 VAL A 58 1.036 -1.655 -17.939 1.00 45.20 H new ATOM 0 HG23 VAL A 58 1.138 -2.180 -19.637 1.00 45.20 H new ATOM 902 N LEU A 59 -2.735 0.634 -18.056 1.00 35.20 N ATOM 903 CA LEU A 59 -3.687 1.727 -17.888 1.00 23.15 C ATOM 904 C LEU A 59 -2.999 3.078 -18.054 1.00 44.01 C ATOM 905 O LEU A 59 -1.782 3.205 -17.912 1.00 33.43 O ATOM 906 CB LEU A 59 -4.349 1.645 -16.511 1.00 50.31 C ATOM 907 CG LEU A 59 -5.461 0.607 -16.362 1.00 74.20 C ATOM 908 CD1 LEU A 59 -5.891 0.490 -14.908 1.00 21.31 C ATOM 909 CD2 LEU A 59 -6.649 0.967 -17.243 1.00 64.23 C ATOM 0 H LEU A 59 -2.538 0.112 -17.202 1.00 35.20 H new ATOM 0 HA LEU A 59 -4.452 1.632 -18.659 1.00 23.15 H new ATOM 0 HB2 LEU A 59 -3.578 1.430 -15.771 1.00 50.31 H new ATOM 0 HB3 LEU A 59 -4.759 2.625 -16.268 1.00 50.31 H new ATOM 0 HG LEU A 59 -5.074 -0.360 -16.685 1.00 74.20 H new ATOM 0 HD11 LEU A 59 -6.683 -0.254 -14.822 1.00 21.31 H new ATOM 0 HD12 LEU A 59 -5.039 0.185 -14.300 1.00 21.31 H new ATOM 0 HD13 LEU A 59 -6.259 1.455 -14.559 1.00 21.31 H new ATOM 0 HD21 LEU A 59 -7.431 0.217 -17.124 1.00 64.23 H new ATOM 0 HD22 LEU A 59 -7.036 1.944 -16.951 1.00 64.23 H new ATOM 0 HD23 LEU A 59 -6.332 0.999 -18.286 1.00 64.23 H new ATOM 921 N PRO A 60 -3.794 4.114 -18.361 1.00 20.41 N ATOM 922 CA PRO A 60 -3.284 5.475 -18.551 1.00 23.34 C ATOM 923 C PRO A 60 -2.806 6.102 -17.245 1.00 70.23 C ATOM 924 O PRO A 60 -1.961 6.996 -17.248 1.00 60.22 O ATOM 925 CB PRO A 60 -4.495 6.235 -19.097 1.00 62.42 C ATOM 926 CG PRO A 60 -5.675 5.478 -18.594 1.00 74.13 C ATOM 927 CD PRO A 60 -5.253 4.036 -18.546 1.00 22.42 C ATOM 0 HA PRO A 60 -2.417 5.497 -19.211 1.00 23.34 H new ATOM 0 HB2 PRO A 60 -4.507 7.266 -18.745 1.00 62.42 H new ATOM 0 HB3 PRO A 60 -4.482 6.270 -20.186 1.00 62.42 H new ATOM 0 HG2 PRO A 60 -5.973 5.830 -17.606 1.00 74.13 H new ATOM 0 HG3 PRO A 60 -6.534 5.612 -19.252 1.00 74.13 H new ATOM 0 HD2 PRO A 60 -5.734 3.503 -17.726 1.00 22.42 H new ATOM 0 HD3 PRO A 60 -5.514 3.510 -19.464 1.00 22.42 H new ATOM 935 N ASN A 61 -3.353 5.627 -16.131 1.00 22.40 N ATOM 936 CA ASN A 61 -2.982 6.142 -14.818 1.00 21.52 C ATOM 937 C ASN A 61 -1.714 5.465 -14.306 1.00 70.53 C ATOM 938 O ASN A 61 -1.257 5.736 -13.197 1.00 35.45 O ATOM 939 CB ASN A 61 -4.124 5.929 -13.822 1.00 72.14 C ATOM 940 CG ASN A 61 -4.736 4.545 -13.931 1.00 3.41 C ATOM 941 OD1 ASN A 61 -5.463 4.249 -14.879 1.00 22.40 O ATOM 942 ND2 ASN A 61 -4.443 3.691 -12.957 1.00 42.22 N ATOM 0 H ASN A 61 -4.054 4.887 -16.111 1.00 22.40 H new ATOM 0 HA ASN A 61 -2.788 7.210 -14.916 1.00 21.52 H new ATOM 0 HB2 ASN A 61 -3.752 6.080 -12.809 1.00 72.14 H new ATOM 0 HB3 ASN A 61 -4.896 6.679 -13.993 1.00 72.14 H new ATOM 0 HD21 ASN A 61 -4.825 2.746 -12.975 1.00 42.22 H new ATOM 0 HD22 ASN A 61 -3.835 3.981 -12.191 1.00 42.22 H new ATOM 949 N GLY A 62 -1.149 4.582 -15.125 1.00 33.32 N ATOM 950 CA GLY A 62 0.061 3.880 -14.738 1.00 74.12 C ATOM 951 C GLY A 62 -0.229 2.563 -14.045 1.00 51.40 C ATOM 952 O GLY A 62 0.521 2.139 -13.166 1.00 71.42 O ATOM 0 H GLY A 62 -1.508 4.341 -16.049 1.00 33.32 H new ATOM 0 HA2 GLY A 62 0.669 3.695 -15.624 1.00 74.12 H new ATOM 0 HA3 GLY A 62 0.649 4.514 -14.075 1.00 74.12 H new ATOM 956 N SER A 63 -1.321 1.916 -14.440 1.00 11.44 N ATOM 957 CA SER A 63 -1.711 0.643 -13.846 1.00 74.21 C ATOM 958 C SER A 63 -1.568 -0.493 -14.854 1.00 64.14 C ATOM 959 O SER A 63 -1.159 -0.278 -15.996 1.00 44.41 O ATOM 960 CB SER A 63 -3.154 0.712 -13.341 1.00 41.11 C ATOM 961 OG SER A 63 -3.195 0.969 -11.948 1.00 42.12 O ATOM 0 H SER A 63 -1.951 2.252 -15.168 1.00 11.44 H new ATOM 0 HA SER A 63 -1.048 0.445 -13.004 1.00 74.21 H new ATOM 0 HB2 SER A 63 -3.692 1.495 -13.875 1.00 41.11 H new ATOM 0 HB3 SER A 63 -3.663 -0.228 -13.556 1.00 41.11 H new ATOM 0 HG SER A 63 -4.128 1.010 -11.650 1.00 42.12 H new ATOM 967 N LEU A 64 -1.906 -1.703 -14.424 1.00 75.55 N ATOM 968 CA LEU A 64 -1.816 -2.875 -15.288 1.00 62.45 C ATOM 969 C LEU A 64 -3.112 -3.679 -15.254 1.00 22.01 C ATOM 970 O LEU A 64 -3.623 -4.007 -14.183 1.00 24.42 O ATOM 971 CB LEU A 64 -0.643 -3.759 -14.861 1.00 22.22 C ATOM 972 CG LEU A 64 -0.487 -5.079 -15.616 1.00 63.44 C ATOM 973 CD1 LEU A 64 0.131 -4.841 -16.985 1.00 64.03 C ATOM 974 CD2 LEU A 64 0.356 -6.058 -14.812 1.00 21.03 C ATOM 0 H LEU A 64 -2.245 -1.899 -13.482 1.00 75.55 H new ATOM 0 HA LEU A 64 -1.651 -2.531 -16.309 1.00 62.45 H new ATOM 0 HB2 LEU A 64 0.278 -3.187 -14.976 1.00 22.22 H new ATOM 0 HB3 LEU A 64 -0.749 -3.981 -13.799 1.00 22.22 H new ATOM 0 HG LEU A 64 -1.477 -5.513 -15.757 1.00 63.44 H new ATOM 0 HD11 LEU A 64 0.234 -5.792 -17.508 1.00 64.03 H new ATOM 0 HD12 LEU A 64 -0.511 -4.177 -17.564 1.00 64.03 H new ATOM 0 HD13 LEU A 64 1.113 -4.384 -16.866 1.00 64.03 H new ATOM 0 HD21 LEU A 64 0.456 -6.992 -15.365 1.00 21.03 H new ATOM 0 HD22 LEU A 64 1.344 -5.631 -14.639 1.00 21.03 H new ATOM 0 HD23 LEU A 64 -0.127 -6.254 -13.855 1.00 21.03 H new ATOM 986 N PHE A 65 -3.638 -3.995 -16.433 1.00 10.53 N ATOM 987 CA PHE A 65 -4.874 -4.761 -16.538 1.00 30.24 C ATOM 988 C PHE A 65 -4.668 -6.011 -17.389 1.00 13.23 C ATOM 989 O PHE A 65 -4.141 -5.940 -18.500 1.00 0.44 O ATOM 990 CB PHE A 65 -5.985 -3.898 -17.139 1.00 50.11 C ATOM 991 CG PHE A 65 -7.307 -4.604 -17.235 1.00 13.13 C ATOM 992 CD1 PHE A 65 -7.542 -5.531 -18.238 1.00 2.24 C ATOM 993 CD2 PHE A 65 -8.316 -4.341 -16.321 1.00 64.05 C ATOM 994 CE1 PHE A 65 -8.758 -6.181 -18.328 1.00 60.02 C ATOM 995 CE2 PHE A 65 -9.534 -4.989 -16.407 1.00 2.42 C ATOM 996 CZ PHE A 65 -9.755 -5.911 -17.411 1.00 43.40 C ATOM 0 H PHE A 65 -3.227 -3.732 -17.329 1.00 10.53 H new ATOM 0 HA PHE A 65 -5.167 -5.070 -15.535 1.00 30.24 H new ATOM 0 HB2 PHE A 65 -6.105 -3.000 -16.533 1.00 50.11 H new ATOM 0 HB3 PHE A 65 -5.683 -3.572 -18.134 1.00 50.11 H new ATOM 0 HD1 PHE A 65 -6.766 -5.748 -18.957 1.00 2.24 H new ATOM 0 HD2 PHE A 65 -8.148 -3.622 -15.533 1.00 64.05 H new ATOM 0 HE1 PHE A 65 -8.929 -6.900 -19.115 1.00 60.02 H new ATOM 0 HE2 PHE A 65 -10.312 -4.774 -15.690 1.00 2.42 H new ATOM 0 HZ PHE A 65 -10.705 -6.420 -17.479 1.00 43.40 H new ATOM 1006 N LEU A 66 -5.088 -7.155 -16.860 1.00 4.03 N ATOM 1007 CA LEU A 66 -4.950 -8.422 -17.569 1.00 64.05 C ATOM 1008 C LEU A 66 -6.316 -9.025 -17.878 1.00 33.01 C ATOM 1009 O LEU A 66 -7.183 -9.135 -17.011 1.00 34.41 O ATOM 1010 CB LEU A 66 -4.121 -9.405 -16.741 1.00 63.44 C ATOM 1011 CG LEU A 66 -2.693 -8.969 -16.413 1.00 4.14 C ATOM 1012 CD1 LEU A 66 -2.687 -7.998 -15.242 1.00 54.43 C ATOM 1013 CD2 LEU A 66 -1.822 -10.179 -16.108 1.00 22.04 C ATOM 0 H LEU A 66 -5.527 -7.231 -15.942 1.00 4.03 H new ATOM 0 HA LEU A 66 -4.438 -8.228 -18.511 1.00 64.05 H new ATOM 0 HB2 LEU A 66 -4.646 -9.593 -15.805 1.00 63.44 H new ATOM 0 HB3 LEU A 66 -4.076 -10.353 -17.277 1.00 63.44 H new ATOM 0 HG LEU A 66 -2.281 -8.460 -17.284 1.00 4.14 H new ATOM 0 HD11 LEU A 66 -1.662 -7.699 -15.023 1.00 54.43 H new ATOM 0 HD12 LEU A 66 -3.276 -7.117 -15.497 1.00 54.43 H new ATOM 0 HD13 LEU A 66 -3.119 -8.482 -14.366 1.00 54.43 H new ATOM 0 HD21 LEU A 66 -0.809 -9.849 -15.877 1.00 22.04 H new ATOM 0 HD22 LEU A 66 -2.233 -10.717 -15.253 1.00 22.04 H new ATOM 0 HD23 LEU A 66 -1.800 -10.839 -16.975 1.00 22.04 H new ATOM 1025 N PRO A 67 -6.514 -9.427 -19.142 1.00 72.21 N ATOM 1026 CA PRO A 67 -7.772 -10.029 -19.594 1.00 15.24 C ATOM 1027 C PRO A 67 -7.990 -11.422 -19.013 1.00 13.32 C ATOM 1028 O PRO A 67 -9.124 -11.829 -18.762 1.00 21.43 O ATOM 1029 CB PRO A 67 -7.605 -10.103 -21.113 1.00 62.33 C ATOM 1030 CG PRO A 67 -6.132 -10.150 -21.330 1.00 44.20 C ATOM 1031 CD PRO A 67 -5.525 -9.326 -20.228 1.00 23.20 C ATOM 0 HA PRO A 67 -8.638 -9.450 -19.275 1.00 15.24 H new ATOM 0 HB2 PRO A 67 -8.094 -10.987 -21.522 1.00 62.33 H new ATOM 0 HB3 PRO A 67 -8.050 -9.237 -21.603 1.00 62.33 H new ATOM 0 HG2 PRO A 67 -5.765 -11.176 -21.298 1.00 44.20 H new ATOM 0 HG3 PRO A 67 -5.869 -9.748 -22.308 1.00 44.20 H new ATOM 0 HD2 PRO A 67 -4.553 -9.715 -19.924 1.00 23.20 H new ATOM 0 HD3 PRO A 67 -5.372 -8.292 -20.537 1.00 23.20 H new ATOM 1039 N ALA A 68 -6.897 -12.147 -18.801 1.00 71.23 N ATOM 1040 CA ALA A 68 -6.969 -13.494 -18.248 1.00 11.45 C ATOM 1041 C ALA A 68 -5.587 -13.996 -17.845 1.00 21.23 C ATOM 1042 O ALA A 68 -4.799 -14.420 -18.690 1.00 63.40 O ATOM 1043 CB ALA A 68 -7.606 -14.444 -19.251 1.00 15.52 C ATOM 0 H ALA A 68 -5.951 -11.824 -19.004 1.00 71.23 H new ATOM 0 HA ALA A 68 -7.590 -13.460 -17.353 1.00 11.45 H new ATOM 0 HB1 ALA A 68 -7.653 -15.446 -18.824 1.00 15.52 H new ATOM 0 HB2 ALA A 68 -8.614 -14.102 -19.486 1.00 15.52 H new ATOM 0 HB3 ALA A 68 -7.008 -14.466 -20.162 1.00 15.52 H new ATOM 1049 N VAL A 69 -5.298 -13.945 -16.548 1.00 73.11 N ATOM 1050 CA VAL A 69 -4.011 -14.396 -16.033 1.00 42.31 C ATOM 1051 C VAL A 69 -3.915 -15.917 -16.047 1.00 72.25 C ATOM 1052 O VAL A 69 -4.695 -16.605 -15.390 1.00 51.10 O ATOM 1053 CB VAL A 69 -3.773 -13.891 -14.598 1.00 2.24 C ATOM 1054 CG1 VAL A 69 -3.516 -12.392 -14.594 1.00 43.44 C ATOM 1055 CG2 VAL A 69 -4.956 -14.239 -13.708 1.00 14.03 C ATOM 0 H VAL A 69 -5.938 -13.596 -15.835 1.00 73.11 H new ATOM 0 HA VAL A 69 -3.245 -13.981 -16.688 1.00 42.31 H new ATOM 0 HB VAL A 69 -2.888 -14.388 -14.199 1.00 2.24 H new ATOM 0 HG11 VAL A 69 -3.350 -12.054 -13.571 1.00 43.44 H new ATOM 0 HG12 VAL A 69 -2.634 -12.172 -15.196 1.00 43.44 H new ATOM 0 HG13 VAL A 69 -4.379 -11.874 -15.012 1.00 43.44 H new ATOM 0 HG21 VAL A 69 -4.771 -13.875 -12.698 1.00 14.03 H new ATOM 0 HG22 VAL A 69 -5.858 -13.771 -14.103 1.00 14.03 H new ATOM 0 HG23 VAL A 69 -5.088 -15.321 -13.685 1.00 14.03 H new ATOM 1065 N GLY A 70 -2.952 -16.437 -16.802 1.00 60.23 N ATOM 1066 CA GLY A 70 -2.771 -17.875 -16.888 1.00 52.42 C ATOM 1067 C GLY A 70 -1.819 -18.403 -15.834 1.00 31.21 C ATOM 1068 O GLY A 70 -1.074 -17.638 -15.221 1.00 15.32 O ATOM 0 H GLY A 70 -2.294 -15.888 -17.356 1.00 60.23 H new ATOM 0 HA2 GLY A 70 -3.738 -18.367 -16.779 1.00 52.42 H new ATOM 0 HA3 GLY A 70 -2.392 -18.132 -17.877 1.00 52.42 H new ATOM 1072 N ILE A 71 -1.844 -19.715 -15.621 1.00 4.51 N ATOM 1073 CA ILE A 71 -0.976 -20.344 -14.633 1.00 13.22 C ATOM 1074 C ILE A 71 0.486 -19.988 -14.879 1.00 60.20 C ATOM 1075 O ILE A 71 1.281 -19.908 -13.943 1.00 70.40 O ATOM 1076 CB ILE A 71 -1.129 -21.876 -14.644 1.00 72.31 C ATOM 1077 CG1 ILE A 71 -0.913 -22.443 -13.239 1.00 51.52 C ATOM 1078 CG2 ILE A 71 -0.150 -22.499 -15.628 1.00 54.04 C ATOM 1079 CD1 ILE A 71 -0.015 -23.659 -13.210 1.00 23.13 C ATOM 0 H ILE A 71 -2.455 -20.362 -16.119 1.00 4.51 H new ATOM 0 HA ILE A 71 -1.280 -19.964 -13.658 1.00 13.22 H new ATOM 0 HB ILE A 71 -2.142 -22.122 -14.963 1.00 72.31 H new ATOM 0 HG12 ILE A 71 -0.482 -21.668 -12.605 1.00 51.52 H new ATOM 0 HG13 ILE A 71 -1.880 -22.705 -12.809 1.00 51.52 H new ATOM 0 HG21 ILE A 71 -0.270 -23.582 -15.624 1.00 54.04 H new ATOM 0 HG22 ILE A 71 -0.347 -22.115 -16.629 1.00 54.04 H new ATOM 0 HG23 ILE A 71 0.869 -22.246 -15.336 1.00 54.04 H new ATOM 0 HD11 ILE A 71 0.093 -24.007 -12.183 1.00 23.13 H new ATOM 0 HD12 ILE A 71 -0.455 -24.451 -13.817 1.00 23.13 H new ATOM 0 HD13 ILE A 71 0.965 -23.397 -13.610 1.00 23.13 H new ATOM 1091 N GLN A 72 0.832 -19.774 -16.144 1.00 63.22 N ATOM 1092 CA GLN A 72 2.199 -19.426 -16.513 1.00 43.31 C ATOM 1093 C GLN A 72 2.501 -17.970 -16.171 1.00 23.52 C ATOM 1094 O GLN A 72 3.660 -17.591 -15.997 1.00 55.12 O ATOM 1095 CB GLN A 72 2.425 -19.668 -18.007 1.00 14.05 C ATOM 1096 CG GLN A 72 1.484 -18.876 -18.900 1.00 41.41 C ATOM 1097 CD GLN A 72 2.065 -18.619 -20.277 1.00 11.14 C ATOM 1098 OE1 GLN A 72 1.506 -19.044 -21.288 1.00 53.52 O ATOM 1099 NE2 GLN A 72 3.193 -17.920 -20.322 1.00 63.44 N ATOM 0 H GLN A 72 0.185 -19.835 -16.930 1.00 63.22 H new ATOM 0 HA GLN A 72 2.875 -20.063 -15.943 1.00 43.31 H new ATOM 0 HB2 GLN A 72 3.454 -19.409 -18.257 1.00 14.05 H new ATOM 0 HB3 GLN A 72 2.304 -20.731 -18.217 1.00 14.05 H new ATOM 0 HG2 GLN A 72 0.544 -19.418 -19.002 1.00 41.41 H new ATOM 0 HG3 GLN A 72 1.253 -17.923 -18.424 1.00 41.41 H new ATOM 0 HE21 GLN A 72 3.622 -17.587 -19.458 1.00 63.44 H new ATOM 0 HE22 GLN A 72 3.631 -17.716 -21.220 1.00 63.44 H new ATOM 1108 N ASP A 73 1.453 -17.160 -16.076 1.00 33.54 N ATOM 1109 CA ASP A 73 1.606 -15.746 -15.753 1.00 75.53 C ATOM 1110 C ASP A 73 1.777 -15.547 -14.251 1.00 33.14 C ATOM 1111 O ASP A 73 2.004 -14.431 -13.786 1.00 3.15 O ATOM 1112 CB ASP A 73 0.395 -14.954 -16.251 1.00 25.41 C ATOM 1113 CG ASP A 73 0.650 -14.288 -17.589 1.00 32.41 C ATOM 1114 OD1 ASP A 73 1.451 -14.831 -18.378 1.00 42.51 O ATOM 1115 OD2 ASP A 73 0.048 -13.225 -17.846 1.00 42.54 O ATOM 0 H ASP A 73 0.488 -17.458 -16.218 1.00 33.54 H new ATOM 0 HA ASP A 73 2.502 -15.379 -16.254 1.00 75.53 H new ATOM 0 HB2 ASP A 73 -0.462 -15.622 -16.338 1.00 25.41 H new ATOM 0 HB3 ASP A 73 0.133 -14.195 -15.514 1.00 25.41 H new ATOM 1120 N GLU A 74 1.664 -16.637 -13.497 1.00 43.25 N ATOM 1121 CA GLU A 74 1.805 -16.580 -12.047 1.00 71.02 C ATOM 1122 C GLU A 74 3.226 -16.189 -11.653 1.00 43.02 C ATOM 1123 O GLU A 74 4.196 -16.624 -12.273 1.00 31.11 O ATOM 1124 CB GLU A 74 1.445 -17.930 -11.424 1.00 75.44 C ATOM 1125 CG GLU A 74 2.555 -18.962 -11.524 1.00 62.52 C ATOM 1126 CD GLU A 74 2.175 -20.291 -10.901 1.00 35.33 C ATOM 1127 OE1 GLU A 74 2.385 -20.457 -9.681 1.00 71.12 O ATOM 1128 OE2 GLU A 74 1.666 -21.166 -11.633 1.00 53.54 O ATOM 0 H GLU A 74 1.475 -17.569 -13.866 1.00 43.25 H new ATOM 0 HA GLU A 74 1.120 -15.820 -11.671 1.00 71.02 H new ATOM 0 HB2 GLU A 74 1.193 -17.780 -10.374 1.00 75.44 H new ATOM 0 HB3 GLU A 74 0.553 -18.320 -11.914 1.00 75.44 H new ATOM 0 HG2 GLU A 74 2.809 -19.116 -12.573 1.00 62.52 H new ATOM 0 HG3 GLU A 74 3.449 -18.577 -11.033 1.00 62.52 H new ATOM 1135 N GLY A 75 3.341 -15.363 -10.617 1.00 63.33 N ATOM 1136 CA GLY A 75 4.647 -14.926 -10.158 1.00 72.33 C ATOM 1137 C GLY A 75 4.582 -13.632 -9.373 1.00 14.35 C ATOM 1138 O GLY A 75 3.682 -13.439 -8.555 1.00 34.25 O ATOM 0 H GLY A 75 2.553 -14.989 -10.088 1.00 63.33 H new ATOM 0 HA2 GLY A 75 5.089 -15.704 -9.535 1.00 72.33 H new ATOM 0 HA3 GLY A 75 5.305 -14.794 -11.017 1.00 72.33 H new ATOM 1142 N ILE A 76 5.538 -12.743 -9.619 1.00 41.02 N ATOM 1143 CA ILE A 76 5.585 -11.461 -8.928 1.00 4.41 C ATOM 1144 C ILE A 76 5.585 -10.302 -9.919 1.00 12.53 C ATOM 1145 O ILE A 76 6.302 -10.325 -10.919 1.00 25.22 O ATOM 1146 CB ILE A 76 6.831 -11.352 -8.028 1.00 52.44 C ATOM 1147 CG1 ILE A 76 6.739 -12.348 -6.871 1.00 4.02 C ATOM 1148 CG2 ILE A 76 6.981 -9.932 -7.502 1.00 64.20 C ATOM 1149 CD1 ILE A 76 7.840 -13.386 -6.879 1.00 33.02 C ATOM 0 H ILE A 76 6.291 -12.887 -10.292 1.00 41.02 H new ATOM 0 HA ILE A 76 4.691 -11.405 -8.306 1.00 4.41 H new ATOM 0 HB ILE A 76 7.713 -11.594 -8.621 1.00 52.44 H new ATOM 0 HG12 ILE A 76 6.772 -11.802 -5.928 1.00 4.02 H new ATOM 0 HG13 ILE A 76 5.774 -12.853 -6.913 1.00 4.02 H new ATOM 0 HG21 ILE A 76 7.865 -9.870 -6.868 1.00 64.20 H new ATOM 0 HG22 ILE A 76 7.087 -9.243 -8.340 1.00 64.20 H new ATOM 0 HG23 ILE A 76 6.099 -9.664 -6.921 1.00 64.20 H new ATOM 0 HD11 ILE A 76 7.712 -14.059 -6.031 1.00 33.02 H new ATOM 0 HD12 ILE A 76 7.794 -13.958 -7.806 1.00 33.02 H new ATOM 0 HD13 ILE A 76 8.808 -12.890 -6.806 1.00 33.02 H new ATOM 1161 N PHE A 77 4.776 -9.287 -9.633 1.00 54.33 N ATOM 1162 CA PHE A 77 4.682 -8.117 -10.499 1.00 11.12 C ATOM 1163 C PHE A 77 5.446 -6.938 -9.904 1.00 13.52 C ATOM 1164 O PHE A 77 5.342 -6.656 -8.710 1.00 24.23 O ATOM 1165 CB PHE A 77 3.217 -7.733 -10.716 1.00 13.22 C ATOM 1166 CG PHE A 77 2.469 -8.694 -11.596 1.00 2.44 C ATOM 1167 CD1 PHE A 77 2.279 -10.009 -11.203 1.00 44.23 C ATOM 1168 CD2 PHE A 77 1.957 -8.282 -12.815 1.00 53.42 C ATOM 1169 CE1 PHE A 77 1.592 -10.896 -12.010 1.00 53.54 C ATOM 1170 CE2 PHE A 77 1.268 -9.164 -13.626 1.00 52.52 C ATOM 1171 CZ PHE A 77 1.086 -10.472 -13.224 1.00 21.41 C ATOM 0 H PHE A 77 4.176 -9.251 -8.809 1.00 54.33 H new ATOM 0 HA PHE A 77 5.130 -8.370 -11.460 1.00 11.12 H new ATOM 0 HB2 PHE A 77 2.718 -7.675 -9.749 1.00 13.22 H new ATOM 0 HB3 PHE A 77 3.172 -6.738 -11.158 1.00 13.22 H new ATOM 0 HD1 PHE A 77 2.672 -10.345 -10.255 1.00 44.23 H new ATOM 0 HD2 PHE A 77 2.098 -7.260 -13.135 1.00 53.42 H new ATOM 0 HE1 PHE A 77 1.451 -11.919 -11.692 1.00 53.54 H new ATOM 0 HE2 PHE A 77 0.872 -8.830 -14.574 1.00 52.52 H new ATOM 0 HZ PHE A 77 0.549 -11.163 -13.857 1.00 21.41 H new ATOM 1181 N ARG A 78 6.213 -6.252 -10.745 1.00 53.02 N ATOM 1182 CA ARG A 78 6.996 -5.104 -10.303 1.00 73.42 C ATOM 1183 C ARG A 78 6.792 -3.915 -11.237 1.00 13.11 C ATOM 1184 O ARG A 78 6.877 -4.049 -12.458 1.00 51.41 O ATOM 1185 CB ARG A 78 8.480 -5.467 -10.239 1.00 65.21 C ATOM 1186 CG ARG A 78 8.740 -6.895 -9.785 1.00 54.45 C ATOM 1187 CD ARG A 78 10.165 -7.070 -9.285 1.00 72.23 C ATOM 1188 NE ARG A 78 10.466 -8.463 -8.967 1.00 73.55 N ATOM 1189 CZ ARG A 78 11.611 -8.863 -8.426 1.00 60.02 C ATOM 1190 NH1 ARG A 78 12.558 -7.980 -8.144 1.00 3.55 N ATOM 1191 NH2 ARG A 78 11.810 -10.149 -8.166 1.00 44.20 N ATOM 0 H ARG A 78 6.309 -6.471 -11.737 1.00 53.02 H new ATOM 0 HA ARG A 78 6.654 -4.824 -9.307 1.00 73.42 H new ATOM 0 HB2 ARG A 78 8.924 -5.322 -11.224 1.00 65.21 H new ATOM 0 HB3 ARG A 78 8.984 -4.781 -9.558 1.00 65.21 H new ATOM 0 HG2 ARG A 78 8.040 -7.159 -8.992 1.00 54.45 H new ATOM 0 HG3 ARG A 78 8.557 -7.580 -10.613 1.00 54.45 H new ATOM 0 HD2 ARG A 78 10.862 -6.713 -10.043 1.00 72.23 H new ATOM 0 HD3 ARG A 78 10.316 -6.455 -8.398 1.00 72.23 H new ATOM 0 HE ARG A 78 9.758 -9.168 -9.172 1.00 73.55 H new ATOM 0 HH11 ARG A 78 12.408 -6.991 -8.342 1.00 3.55 H new ATOM 0 HH12 ARG A 78 13.437 -8.290 -7.728 1.00 3.55 H new ATOM 0 HH21 ARG A 78 11.083 -10.831 -8.382 1.00 44.20 H new ATOM 0 HH22 ARG A 78 12.690 -10.455 -7.750 1.00 44.20 H new ATOM 1205 N CYS A 79 6.521 -2.752 -10.654 1.00 44.43 N ATOM 1206 CA CYS A 79 6.304 -1.538 -11.433 1.00 21.23 C ATOM 1207 C CYS A 79 7.228 -0.418 -10.963 1.00 70.14 C ATOM 1208 O CYS A 79 7.690 -0.419 -9.823 1.00 13.33 O ATOM 1209 CB CYS A 79 4.845 -1.091 -11.322 1.00 41.12 C ATOM 1210 SG CYS A 79 4.357 0.165 -12.549 1.00 25.34 S ATOM 0 H CYS A 79 6.446 -2.624 -9.645 1.00 44.43 H new ATOM 0 HA CYS A 79 6.531 -1.759 -12.476 1.00 21.23 H new ATOM 0 HB2 CYS A 79 4.200 -1.962 -11.433 1.00 41.12 H new ATOM 0 HB3 CYS A 79 4.673 -0.693 -10.322 1.00 41.12 H new ATOM 1215 N GLN A 80 7.492 0.535 -11.852 1.00 30.25 N ATOM 1216 CA GLN A 80 8.361 1.660 -11.528 1.00 52.31 C ATOM 1217 C GLN A 80 7.830 2.952 -12.142 1.00 31.33 C ATOM 1218 O GLN A 80 7.303 2.951 -13.254 1.00 2.21 O ATOM 1219 CB GLN A 80 9.783 1.393 -12.024 1.00 51.12 C ATOM 1220 CG GLN A 80 9.983 1.711 -13.497 1.00 43.21 C ATOM 1221 CD GLN A 80 11.421 1.529 -13.943 1.00 52.50 C ATOM 1222 OE1 GLN A 80 11.845 0.422 -14.274 1.00 72.12 O ATOM 1223 NE2 GLN A 80 12.180 2.619 -13.954 1.00 53.02 N ATOM 0 H GLN A 80 7.117 0.550 -12.800 1.00 30.25 H new ATOM 0 HA GLN A 80 8.377 1.774 -10.444 1.00 52.31 H new ATOM 0 HB2 GLN A 80 10.482 1.986 -11.435 1.00 51.12 H new ATOM 0 HB3 GLN A 80 10.029 0.345 -11.850 1.00 51.12 H new ATOM 0 HG2 GLN A 80 9.337 1.068 -14.095 1.00 43.21 H new ATOM 0 HG3 GLN A 80 9.675 2.739 -13.688 1.00 43.21 H new ATOM 0 HE21 GLN A 80 11.787 3.517 -13.672 1.00 53.02 H new ATOM 0 HE22 GLN A 80 13.156 2.558 -14.245 1.00 53.02 H new ATOM 1232 N ALA A 81 7.972 4.051 -11.409 1.00 12.32 N ATOM 1233 CA ALA A 81 7.508 5.350 -11.882 1.00 30.32 C ATOM 1234 C ALA A 81 8.531 6.440 -11.583 1.00 41.21 C ATOM 1235 O ALA A 81 9.421 6.259 -10.753 1.00 31.34 O ATOM 1236 CB ALA A 81 6.167 5.694 -11.250 1.00 24.54 C ATOM 0 H ALA A 81 8.405 4.068 -10.485 1.00 12.32 H new ATOM 0 HA ALA A 81 7.383 5.292 -12.963 1.00 30.32 H new ATOM 0 HB1 ALA A 81 5.833 6.666 -11.612 1.00 24.54 H new ATOM 0 HB2 ALA A 81 5.433 4.935 -11.519 1.00 24.54 H new ATOM 0 HB3 ALA A 81 6.274 5.728 -10.166 1.00 24.54 H new ATOM 1242 N MET A 82 8.399 7.573 -12.266 1.00 74.51 N ATOM 1243 CA MET A 82 9.312 8.693 -12.073 1.00 22.43 C ATOM 1244 C MET A 82 8.542 9.991 -11.857 1.00 50.51 C ATOM 1245 O MET A 82 7.709 10.373 -12.678 1.00 13.04 O ATOM 1246 CB MET A 82 10.244 8.833 -13.278 1.00 71.41 C ATOM 1247 CG MET A 82 11.070 10.108 -13.263 1.00 0.52 C ATOM 1248 SD MET A 82 12.689 9.897 -14.027 1.00 62.23 S ATOM 1249 CE MET A 82 13.579 9.069 -12.712 1.00 21.22 C ATOM 0 H MET A 82 7.668 7.739 -12.958 1.00 74.51 H new ATOM 0 HA MET A 82 9.909 8.493 -11.183 1.00 22.43 H new ATOM 0 HB2 MET A 82 10.916 7.975 -13.309 1.00 71.41 H new ATOM 0 HB3 MET A 82 9.650 8.806 -14.191 1.00 71.41 H new ATOM 0 HG2 MET A 82 10.526 10.895 -13.786 1.00 0.52 H new ATOM 0 HG3 MET A 82 11.199 10.440 -12.233 1.00 0.52 H new ATOM 0 HE1 MET A 82 14.601 8.870 -13.034 1.00 21.22 H new ATOM 0 HE2 MET A 82 13.595 9.705 -11.827 1.00 21.22 H new ATOM 0 HE3 MET A 82 13.084 8.128 -12.474 1.00 21.22 H new ATOM 1259 N ASN A 83 8.827 10.666 -10.748 1.00 34.12 N ATOM 1260 CA ASN A 83 8.159 11.922 -10.424 1.00 64.24 C ATOM 1261 C ASN A 83 8.938 13.110 -10.980 1.00 2.31 C ATOM 1262 O ASN A 83 10.052 12.956 -11.482 1.00 33.22 O ATOM 1263 CB ASN A 83 8.002 12.064 -8.909 1.00 52.32 C ATOM 1264 CG ASN A 83 6.728 11.419 -8.397 1.00 45.21 C ATOM 1265 OD1 ASN A 83 5.818 12.103 -7.930 1.00 34.12 O ATOM 1266 ND2 ASN A 83 6.660 10.096 -8.483 1.00 30.20 N ATOM 0 H ASN A 83 9.516 10.365 -10.059 1.00 34.12 H new ATOM 0 HA ASN A 83 7.171 11.910 -10.885 1.00 64.24 H new ATOM 0 HB2 ASN A 83 8.860 11.610 -8.413 1.00 52.32 H new ATOM 0 HB3 ASN A 83 8.003 13.121 -8.644 1.00 52.32 H new ATOM 0 HD21 ASN A 83 5.828 9.606 -8.154 1.00 30.20 H new ATOM 0 HD22 ASN A 83 7.440 9.570 -8.878 1.00 30.20 H new ATOM 1273 N ARG A 84 8.345 14.296 -10.886 1.00 32.32 N ATOM 1274 CA ARG A 84 8.982 15.511 -11.379 1.00 62.53 C ATOM 1275 C ARG A 84 10.152 15.912 -10.486 1.00 22.02 C ATOM 1276 O ARG A 84 11.026 16.674 -10.896 1.00 42.32 O ATOM 1277 CB ARG A 84 7.966 16.652 -11.451 1.00 23.00 C ATOM 1278 CG ARG A 84 7.461 17.104 -10.091 1.00 5.45 C ATOM 1279 CD ARG A 84 6.281 18.053 -10.222 1.00 15.31 C ATOM 1280 NE ARG A 84 5.086 17.375 -10.719 1.00 2.42 N ATOM 1281 CZ ARG A 84 3.860 17.877 -10.617 1.00 24.11 C ATOM 1282 NH1 ARG A 84 3.668 19.055 -10.039 1.00 65.15 N ATOM 1283 NH2 ARG A 84 2.824 17.200 -11.094 1.00 35.14 N ATOM 0 H ARG A 84 7.424 14.441 -10.473 1.00 32.32 H new ATOM 0 HA ARG A 84 9.364 15.311 -12.380 1.00 62.53 H new ATOM 0 HB2 ARG A 84 8.421 17.501 -11.961 1.00 23.00 H new ATOM 0 HB3 ARG A 84 7.118 16.334 -12.057 1.00 23.00 H new ATOM 0 HG2 ARG A 84 7.166 16.234 -9.504 1.00 5.45 H new ATOM 0 HG3 ARG A 84 8.267 17.597 -9.548 1.00 5.45 H new ATOM 0 HD2 ARG A 84 6.067 18.501 -9.252 1.00 15.31 H new ATOM 0 HD3 ARG A 84 6.544 18.867 -10.898 1.00 15.31 H new ATOM 0 HE ARG A 84 5.199 16.467 -11.169 1.00 2.42 H new ATOM 0 HH11 ARG A 84 4.463 19.578 -9.671 1.00 65.15 H new ATOM 0 HH12 ARG A 84 2.726 19.438 -9.962 1.00 65.15 H new ATOM 0 HH21 ARG A 84 2.968 16.294 -11.539 1.00 35.14 H new ATOM 0 HH22 ARG A 84 1.883 17.586 -11.016 1.00 35.14 H new ATOM 1297 N ASN A 85 10.161 15.393 -9.262 1.00 52.31 N ATOM 1298 CA ASN A 85 11.223 15.699 -8.310 1.00 74.51 C ATOM 1299 C ASN A 85 12.511 14.971 -8.681 1.00 23.23 C ATOM 1300 O ASN A 85 13.599 15.356 -8.254 1.00 51.31 O ATOM 1301 CB ASN A 85 10.793 15.310 -6.894 1.00 24.12 C ATOM 1302 CG ASN A 85 9.632 16.146 -6.391 1.00 45.45 C ATOM 1303 OD1 ASN A 85 9.821 17.101 -5.637 1.00 63.22 O ATOM 1304 ND2 ASN A 85 8.423 15.791 -6.809 1.00 30.44 N ATOM 0 H ASN A 85 9.445 14.759 -8.906 1.00 52.31 H new ATOM 0 HA ASN A 85 11.411 16.772 -8.344 1.00 74.51 H new ATOM 0 HB2 ASN A 85 10.512 14.257 -6.879 1.00 24.12 H new ATOM 0 HB3 ASN A 85 11.639 15.424 -6.216 1.00 24.12 H new ATOM 0 HD21 ASN A 85 7.604 16.317 -6.505 1.00 30.44 H new ATOM 0 HD22 ASN A 85 8.314 14.992 -7.434 1.00 30.44 H new ATOM 1311 N GLY A 86 12.380 13.915 -9.479 1.00 2.51 N ATOM 1312 CA GLY A 86 13.542 13.151 -9.894 1.00 75.32 C ATOM 1313 C GLY A 86 13.613 11.794 -9.221 1.00 45.42 C ATOM 1314 O GLY A 86 14.412 10.942 -9.609 1.00 63.42 O ATOM 0 H GLY A 86 11.491 13.575 -9.845 1.00 2.51 H new ATOM 0 HA2 GLY A 86 13.517 13.016 -10.975 1.00 75.32 H new ATOM 0 HA3 GLY A 86 14.446 13.715 -9.664 1.00 75.32 H new ATOM 1318 N LYS A 87 12.778 11.593 -8.208 1.00 11.52 N ATOM 1319 CA LYS A 87 12.749 10.332 -7.478 1.00 23.32 C ATOM 1320 C LYS A 87 11.852 9.317 -8.179 1.00 55.53 C ATOM 1321 O LYS A 87 10.855 9.684 -8.801 1.00 33.42 O ATOM 1322 CB LYS A 87 12.259 10.558 -6.046 1.00 10.21 C ATOM 1323 CG LYS A 87 13.327 11.108 -5.117 1.00 44.30 C ATOM 1324 CD LYS A 87 13.373 12.627 -5.157 1.00 62.41 C ATOM 1325 CE LYS A 87 14.766 13.151 -4.843 1.00 62.32 C ATOM 1326 NZ LYS A 87 15.194 12.795 -3.462 1.00 44.00 N ATOM 0 H LYS A 87 12.111 12.289 -7.873 1.00 11.52 H new ATOM 0 HA LYS A 87 13.764 9.935 -7.450 1.00 23.32 H new ATOM 0 HB2 LYS A 87 11.415 11.248 -6.064 1.00 10.21 H new ATOM 0 HB3 LYS A 87 11.891 9.614 -5.644 1.00 10.21 H new ATOM 0 HG2 LYS A 87 13.130 10.776 -4.098 1.00 44.30 H new ATOM 0 HG3 LYS A 87 14.300 10.706 -5.401 1.00 44.30 H new ATOM 0 HD2 LYS A 87 13.066 12.976 -6.143 1.00 62.41 H new ATOM 0 HD3 LYS A 87 12.660 13.033 -4.439 1.00 62.41 H new ATOM 0 HE2 LYS A 87 15.478 12.743 -5.560 1.00 62.32 H new ATOM 0 HE3 LYS A 87 14.781 14.235 -4.960 1.00 62.32 H new ATOM 0 HZ1 LYS A 87 16.126 13.213 -3.269 1.00 44.00 H new ATOM 0 HZ2 LYS A 87 14.502 13.162 -2.778 1.00 44.00 H new ATOM 0 HZ3 LYS A 87 15.253 11.761 -3.373 1.00 44.00 H new ATOM 1340 N GLU A 88 12.212 8.042 -8.074 1.00 13.14 N ATOM 1341 CA GLU A 88 11.437 6.976 -8.698 1.00 41.10 C ATOM 1342 C GLU A 88 10.623 6.214 -7.657 1.00 32.33 C ATOM 1343 O GLU A 88 11.065 6.022 -6.524 1.00 24.44 O ATOM 1344 CB GLU A 88 12.363 6.012 -9.443 1.00 53.23 C ATOM 1345 CG GLU A 88 12.946 4.923 -8.559 1.00 72.54 C ATOM 1346 CD GLU A 88 13.731 5.479 -7.388 1.00 44.51 C ATOM 1347 OE1 GLU A 88 14.442 6.489 -7.578 1.00 30.14 O ATOM 1348 OE2 GLU A 88 13.636 4.906 -6.283 1.00 1.41 O ATOM 0 H GLU A 88 13.035 7.722 -7.563 1.00 13.14 H new ATOM 0 HA GLU A 88 10.748 7.431 -9.410 1.00 41.10 H new ATOM 0 HB2 GLU A 88 11.810 5.548 -10.259 1.00 53.23 H new ATOM 0 HB3 GLU A 88 13.178 6.579 -9.892 1.00 53.23 H new ATOM 0 HG2 GLU A 88 12.139 4.294 -8.184 1.00 72.54 H new ATOM 0 HG3 GLU A 88 13.596 4.285 -9.157 1.00 72.54 H new ATOM 1355 N THR A 89 9.428 5.781 -8.049 1.00 2.23 N ATOM 1356 CA THR A 89 8.551 5.042 -7.150 1.00 74.35 C ATOM 1357 C THR A 89 8.563 3.552 -7.473 1.00 21.12 C ATOM 1358 O THR A 89 8.423 3.155 -8.630 1.00 25.01 O ATOM 1359 CB THR A 89 7.102 5.560 -7.228 1.00 21.13 C ATOM 1360 OG1 THR A 89 7.028 6.675 -8.123 1.00 74.34 O ATOM 1361 CG2 THR A 89 6.601 5.974 -5.852 1.00 64.11 C ATOM 0 H THR A 89 9.046 5.930 -8.983 1.00 2.23 H new ATOM 0 HA THR A 89 8.931 5.196 -6.140 1.00 74.35 H new ATOM 0 HB THR A 89 6.470 4.753 -7.600 1.00 21.13 H new ATOM 0 HG1 THR A 89 6.902 7.500 -7.609 1.00 74.34 H new ATOM 0 HG21 THR A 89 5.576 6.336 -5.932 1.00 64.11 H new ATOM 0 HG22 THR A 89 6.631 5.116 -5.180 1.00 64.11 H new ATOM 0 HG23 THR A 89 7.236 6.767 -5.457 1.00 64.11 H new ATOM 1369 N LYS A 90 8.731 2.730 -6.442 1.00 75.25 N ATOM 1370 CA LYS A 90 8.759 1.282 -6.615 1.00 3.22 C ATOM 1371 C LYS A 90 7.462 0.650 -6.121 1.00 60.42 C ATOM 1372 O LYS A 90 6.888 1.085 -5.123 1.00 44.41 O ATOM 1373 CB LYS A 90 9.950 0.682 -5.864 1.00 12.15 C ATOM 1374 CG LYS A 90 11.184 0.497 -6.729 1.00 4.13 C ATOM 1375 CD LYS A 90 11.662 1.818 -7.309 1.00 32.21 C ATOM 1376 CE LYS A 90 12.657 1.603 -8.439 1.00 31.00 C ATOM 1377 NZ LYS A 90 14.062 1.598 -7.947 1.00 24.11 N ATOM 0 H LYS A 90 8.850 3.042 -5.478 1.00 75.25 H new ATOM 0 HA LYS A 90 8.863 1.070 -7.679 1.00 3.22 H new ATOM 0 HB2 LYS A 90 10.200 1.327 -5.022 1.00 12.15 H new ATOM 0 HB3 LYS A 90 9.659 -0.283 -5.450 1.00 12.15 H new ATOM 0 HG2 LYS A 90 11.981 0.049 -6.136 1.00 4.13 H new ATOM 0 HG3 LYS A 90 10.961 -0.197 -7.539 1.00 4.13 H new ATOM 0 HD2 LYS A 90 10.807 2.385 -7.678 1.00 32.21 H new ATOM 0 HD3 LYS A 90 12.125 2.415 -6.524 1.00 32.21 H new ATOM 0 HE2 LYS A 90 12.443 0.657 -8.936 1.00 31.00 H new ATOM 0 HE3 LYS A 90 12.536 2.389 -9.184 1.00 31.00 H new ATOM 0 HZ1 LYS A 90 14.709 1.449 -8.747 1.00 24.11 H new ATOM 0 HZ2 LYS A 90 14.275 2.510 -7.495 1.00 24.11 H new ATOM 0 HZ3 LYS A 90 14.185 0.832 -7.255 1.00 24.11 H new ATOM 1391 N SER A 91 7.006 -0.381 -6.826 1.00 52.10 N ATOM 1392 CA SER A 91 5.775 -1.072 -6.460 1.00 51.15 C ATOM 1393 C SER A 91 5.863 -2.556 -6.802 1.00 23.31 C ATOM 1394 O SER A 91 6.079 -2.927 -7.955 1.00 23.23 O ATOM 1395 CB SER A 91 4.579 -0.442 -7.178 1.00 23.32 C ATOM 1396 OG SER A 91 4.364 0.888 -6.739 1.00 34.43 O ATOM 0 H SER A 91 7.470 -0.756 -7.653 1.00 52.10 H new ATOM 0 HA SER A 91 5.638 -0.972 -5.383 1.00 51.15 H new ATOM 0 HB2 SER A 91 4.752 -0.450 -8.254 1.00 23.32 H new ATOM 0 HB3 SER A 91 3.685 -1.038 -6.994 1.00 23.32 H new ATOM 0 HG SER A 91 4.598 1.512 -7.458 1.00 34.43 H new ATOM 1402 N ASN A 92 5.695 -3.401 -5.790 1.00 15.14 N ATOM 1403 CA ASN A 92 5.756 -4.845 -5.981 1.00 74.42 C ATOM 1404 C ASN A 92 4.450 -5.507 -5.551 1.00 53.25 C ATOM 1405 O ASN A 92 4.014 -5.360 -4.409 1.00 73.04 O ATOM 1406 CB ASN A 92 6.924 -5.437 -5.190 1.00 42.32 C ATOM 1407 CG ASN A 92 6.647 -6.852 -4.720 1.00 0.50 C ATOM 1408 OD1 ASN A 92 6.787 -7.163 -3.537 1.00 60.12 O ATOM 1409 ND2 ASN A 92 6.252 -7.716 -5.647 1.00 73.21 N ATOM 0 H ASN A 92 5.515 -3.110 -4.829 1.00 15.14 H new ATOM 0 HA ASN A 92 5.909 -5.039 -7.043 1.00 74.42 H new ATOM 0 HB2 ASN A 92 7.819 -5.432 -5.812 1.00 42.32 H new ATOM 0 HB3 ASN A 92 7.132 -4.805 -4.327 1.00 42.32 H new ATOM 0 HD21 ASN A 92 6.051 -8.683 -5.391 1.00 73.21 H new ATOM 0 HD22 ASN A 92 6.150 -7.413 -6.616 1.00 73.21 H new ATOM 1416 N TYR A 93 3.831 -6.235 -6.474 1.00 32.53 N ATOM 1417 CA TYR A 93 2.574 -6.918 -6.191 1.00 72.34 C ATOM 1418 C TYR A 93 2.675 -8.404 -6.521 1.00 22.50 C ATOM 1419 O TYR A 93 2.936 -8.782 -7.663 1.00 54.05 O ATOM 1420 CB TYR A 93 1.434 -6.284 -6.990 1.00 70.03 C ATOM 1421 CG TYR A 93 0.694 -5.203 -6.235 1.00 75.41 C ATOM 1422 CD1 TYR A 93 1.371 -4.117 -5.694 1.00 74.45 C ATOM 1423 CD2 TYR A 93 -0.684 -5.268 -6.063 1.00 61.23 C ATOM 1424 CE1 TYR A 93 0.698 -3.128 -5.003 1.00 61.52 C ATOM 1425 CE2 TYR A 93 -1.365 -4.283 -5.375 1.00 21.03 C ATOM 1426 CZ TYR A 93 -0.669 -3.216 -4.846 1.00 55.52 C ATOM 1427 OH TYR A 93 -1.343 -2.232 -4.159 1.00 53.34 O ATOM 0 H TYR A 93 4.179 -6.367 -7.424 1.00 32.53 H new ATOM 0 HA TYR A 93 2.365 -6.814 -5.126 1.00 72.34 H new ATOM 0 HB2 TYR A 93 1.838 -5.862 -7.910 1.00 70.03 H new ATOM 0 HB3 TYR A 93 0.728 -7.062 -7.279 1.00 70.03 H new ATOM 0 HD1 TYR A 93 2.442 -4.045 -5.816 1.00 74.45 H new ATOM 0 HD2 TYR A 93 -1.231 -6.103 -6.474 1.00 61.23 H new ATOM 0 HE1 TYR A 93 1.240 -2.291 -4.588 1.00 61.52 H new ATOM 0 HE2 TYR A 93 -2.436 -4.348 -5.252 1.00 21.03 H new ATOM 0 HH TYR A 93 -2.300 -2.443 -4.139 1.00 53.34 H new ATOM 1437 N ARG A 94 2.467 -9.243 -5.511 1.00 72.34 N ATOM 1438 CA ARG A 94 2.535 -10.688 -5.692 1.00 71.32 C ATOM 1439 C ARG A 94 1.208 -11.234 -6.211 1.00 70.43 C ATOM 1440 O ARG A 94 0.145 -10.932 -5.669 1.00 1.32 O ATOM 1441 CB ARG A 94 2.899 -11.372 -4.373 1.00 60.11 C ATOM 1442 CG ARG A 94 4.168 -10.831 -3.736 1.00 45.44 C ATOM 1443 CD ARG A 94 3.925 -10.378 -2.305 1.00 73.32 C ATOM 1444 NE ARG A 94 5.065 -10.665 -1.439 1.00 0.11 N ATOM 1445 CZ ARG A 94 4.997 -10.671 -0.112 1.00 71.23 C ATOM 1446 NH1 ARG A 94 3.849 -10.408 0.497 1.00 21.31 N ATOM 1447 NH2 ARG A 94 6.078 -10.941 0.608 1.00 63.34 N ATOM 0 H ARG A 94 2.250 -8.947 -4.559 1.00 72.34 H new ATOM 0 HA ARG A 94 3.309 -10.900 -6.429 1.00 71.32 H new ATOM 0 HB2 ARG A 94 2.072 -11.254 -3.672 1.00 60.11 H new ATOM 0 HB3 ARG A 94 3.018 -12.441 -4.549 1.00 60.11 H new ATOM 0 HG2 ARG A 94 4.939 -11.601 -3.749 1.00 45.44 H new ATOM 0 HG3 ARG A 94 4.543 -9.994 -4.325 1.00 45.44 H new ATOM 0 HD2 ARG A 94 3.722 -9.307 -2.293 1.00 73.32 H new ATOM 0 HD3 ARG A 94 3.038 -10.875 -1.913 1.00 73.32 H new ATOM 0 HE ARG A 94 5.963 -10.872 -1.877 1.00 0.11 H new ATOM 0 HH11 ARG A 94 3.016 -10.201 -0.053 1.00 21.31 H new ATOM 0 HH12 ARG A 94 3.799 -10.413 1.516 1.00 21.31 H new ATOM 0 HH21 ARG A 94 6.963 -11.144 0.143 1.00 63.34 H new ATOM 0 HH22 ARG A 94 6.024 -10.945 1.627 1.00 63.34 H new ATOM 1461 N VAL A 95 1.278 -12.041 -7.266 1.00 13.31 N ATOM 1462 CA VAL A 95 0.083 -12.630 -7.858 1.00 53.42 C ATOM 1463 C VAL A 95 0.154 -14.152 -7.841 1.00 62.42 C ATOM 1464 O VAL A 95 1.196 -14.738 -8.137 1.00 31.44 O ATOM 1465 CB VAL A 95 -0.118 -12.152 -9.309 1.00 33.32 C ATOM 1466 CG1 VAL A 95 -1.263 -12.908 -9.966 1.00 13.31 C ATOM 1467 CG2 VAL A 95 -0.368 -10.652 -9.346 1.00 23.12 C ATOM 0 H VAL A 95 2.150 -12.301 -7.728 1.00 13.31 H new ATOM 0 HA VAL A 95 -0.764 -12.303 -7.255 1.00 53.42 H new ATOM 0 HB VAL A 95 0.793 -12.359 -9.871 1.00 33.32 H new ATOM 0 HG11 VAL A 95 -1.390 -12.557 -10.990 1.00 13.31 H new ATOM 0 HG12 VAL A 95 -1.038 -13.975 -9.973 1.00 13.31 H new ATOM 0 HG13 VAL A 95 -2.182 -12.735 -9.406 1.00 13.31 H new ATOM 0 HG21 VAL A 95 -0.508 -10.332 -10.378 1.00 23.12 H new ATOM 0 HG22 VAL A 95 -1.263 -10.418 -8.769 1.00 23.12 H new ATOM 0 HG23 VAL A 95 0.487 -10.130 -8.917 1.00 23.12 H new ATOM 1477 N ARG A 96 -0.960 -14.788 -7.494 1.00 12.20 N ATOM 1478 CA ARG A 96 -1.024 -16.243 -7.438 1.00 20.23 C ATOM 1479 C ARG A 96 -2.240 -16.764 -8.198 1.00 14.13 C ATOM 1480 O ARG A 96 -3.355 -16.273 -8.018 1.00 21.03 O ATOM 1481 CB ARG A 96 -1.076 -16.717 -5.984 1.00 14.20 C ATOM 1482 CG ARG A 96 -0.076 -17.815 -5.665 1.00 24.31 C ATOM 1483 CD ARG A 96 -0.512 -19.152 -6.244 1.00 32.03 C ATOM 1484 NE ARG A 96 -1.387 -19.884 -5.332 1.00 12.23 N ATOM 1485 CZ ARG A 96 -0.946 -20.576 -4.287 1.00 13.30 C ATOM 1486 NH1 ARG A 96 0.352 -20.629 -4.023 1.00 70.33 N ATOM 1487 NH2 ARG A 96 -1.805 -21.215 -3.503 1.00 62.41 N ATOM 0 H ARG A 96 -1.831 -14.318 -7.247 1.00 12.20 H new ATOM 0 HA ARG A 96 -0.125 -16.639 -7.910 1.00 20.23 H new ATOM 0 HB2 ARG A 96 -0.891 -15.867 -5.327 1.00 14.20 H new ATOM 0 HB3 ARG A 96 -2.081 -17.077 -5.764 1.00 14.20 H new ATOM 0 HG2 ARG A 96 0.902 -17.546 -6.065 1.00 24.31 H new ATOM 0 HG3 ARG A 96 0.035 -17.904 -4.584 1.00 24.31 H new ATOM 0 HD2 ARG A 96 -1.030 -18.986 -7.189 1.00 32.03 H new ATOM 0 HD3 ARG A 96 0.368 -19.756 -6.465 1.00 32.03 H new ATOM 0 HE ARG A 96 -2.392 -19.863 -5.507 1.00 12.23 H new ATOM 0 HH11 ARG A 96 1.015 -20.138 -4.623 1.00 70.33 H new ATOM 0 HH12 ARG A 96 0.688 -21.161 -3.220 1.00 70.33 H new ATOM 0 HH21 ARG A 96 -2.805 -21.175 -3.702 1.00 62.41 H new ATOM 0 HH22 ARG A 96 -1.466 -21.746 -2.701 1.00 62.41 H new ATOM 1501 N VAL A 97 -2.018 -17.761 -9.048 1.00 51.24 N ATOM 1502 CA VAL A 97 -3.095 -18.349 -9.836 1.00 14.35 C ATOM 1503 C VAL A 97 -3.652 -19.597 -9.160 1.00 25.11 C ATOM 1504 O VAL A 97 -3.245 -19.950 -8.052 1.00 51.35 O ATOM 1505 CB VAL A 97 -2.619 -18.715 -11.254 1.00 1.13 C ATOM 1506 CG1 VAL A 97 -1.920 -17.531 -11.905 1.00 15.11 C ATOM 1507 CG2 VAL A 97 -1.702 -19.928 -11.211 1.00 2.24 C ATOM 0 H VAL A 97 -1.102 -18.179 -9.209 1.00 51.24 H new ATOM 0 HA VAL A 97 -3.881 -17.597 -9.908 1.00 14.35 H new ATOM 0 HB VAL A 97 -3.491 -18.968 -11.857 1.00 1.13 H new ATOM 0 HG11 VAL A 97 -1.591 -17.809 -12.906 1.00 15.11 H new ATOM 0 HG12 VAL A 97 -2.612 -16.691 -11.970 1.00 15.11 H new ATOM 0 HG13 VAL A 97 -1.056 -17.244 -11.305 1.00 15.11 H new ATOM 0 HG21 VAL A 97 -1.375 -20.173 -12.222 1.00 2.24 H new ATOM 0 HG22 VAL A 97 -0.833 -19.705 -10.592 1.00 2.24 H new ATOM 0 HG23 VAL A 97 -2.240 -20.776 -10.788 1.00 2.24 H new ATOM 1517 N TYR A 98 -4.583 -20.262 -9.834 1.00 20.41 N ATOM 1518 CA TYR A 98 -5.197 -21.471 -9.298 1.00 71.41 C ATOM 1519 C TYR A 98 -4.167 -22.587 -9.153 1.00 61.41 C ATOM 1520 O TYR A 98 -3.662 -22.842 -8.060 1.00 42.50 O ATOM 1521 CB TYR A 98 -6.341 -21.932 -10.204 1.00 25.25 C ATOM 1522 CG TYR A 98 -6.942 -23.257 -9.792 1.00 54.13 C ATOM 1523 CD1 TYR A 98 -7.567 -23.406 -8.561 1.00 34.15 C ATOM 1524 CD2 TYR A 98 -6.887 -24.359 -10.636 1.00 63.34 C ATOM 1525 CE1 TYR A 98 -8.118 -24.615 -8.181 1.00 2.24 C ATOM 1526 CE2 TYR A 98 -7.436 -25.571 -10.265 1.00 62.54 C ATOM 1527 CZ TYR A 98 -8.050 -25.694 -9.036 1.00 63.34 C ATOM 1528 OH TYR A 98 -8.598 -26.900 -8.662 1.00 51.42 O ATOM 0 H TYR A 98 -4.929 -19.985 -10.752 1.00 20.41 H new ATOM 0 HA TYR A 98 -5.595 -21.238 -8.310 1.00 71.41 H new ATOM 0 HB2 TYR A 98 -7.122 -21.172 -10.204 1.00 25.25 H new ATOM 0 HB3 TYR A 98 -5.974 -22.011 -11.227 1.00 25.25 H new ATOM 0 HD1 TYR A 98 -7.623 -22.562 -7.889 1.00 34.15 H new ATOM 0 HD2 TYR A 98 -6.407 -24.267 -11.599 1.00 63.34 H new ATOM 0 HE1 TYR A 98 -8.599 -24.714 -7.219 1.00 2.24 H new ATOM 0 HE2 TYR A 98 -7.385 -26.418 -10.934 1.00 62.54 H new ATOM 0 HH TYR A 98 -8.466 -27.556 -9.378 1.00 51.42 H new ATOM 1538 N GLN A 99 -3.861 -23.249 -10.264 1.00 62.23 N ATOM 1539 CA GLN A 99 -2.891 -24.338 -10.262 1.00 31.13 C ATOM 1540 C GLN A 99 -1.489 -23.818 -9.963 1.00 41.43 C ATOM 1541 O GLN A 99 -1.118 -22.724 -10.391 1.00 15.12 O ATOM 1542 CB GLN A 99 -2.903 -25.063 -11.609 1.00 1.22 C ATOM 1543 CG GLN A 99 -3.119 -26.563 -11.491 1.00 13.13 C ATOM 1544 CD GLN A 99 -1.984 -27.261 -10.768 1.00 35.14 C ATOM 1545 OE1 GLN A 99 -1.045 -27.754 -11.392 1.00 41.04 O ATOM 1546 NE2 GLN A 99 -2.066 -27.307 -9.443 1.00 5.11 N ATOM 0 H GLN A 99 -4.271 -23.051 -11.177 1.00 62.23 H new ATOM 0 HA GLN A 99 -3.173 -25.040 -9.477 1.00 31.13 H new ATOM 0 HB2 GLN A 99 -3.690 -24.639 -12.233 1.00 1.22 H new ATOM 0 HB3 GLN A 99 -1.957 -24.880 -12.119 1.00 1.22 H new ATOM 0 HG2 GLN A 99 -4.053 -26.751 -10.961 1.00 13.13 H new ATOM 0 HG3 GLN A 99 -3.227 -26.990 -12.488 1.00 13.13 H new ATOM 0 HE21 GLN A 99 -2.863 -26.885 -8.966 1.00 5.11 H new ATOM 0 HE22 GLN A 99 -1.332 -27.764 -8.902 1.00 5.11 H new ATOM 1555 N ILE A 100 -0.714 -24.607 -9.227 1.00 73.43 N ATOM 1556 CA ILE A 100 0.647 -24.226 -8.873 1.00 21.13 C ATOM 1557 C ILE A 100 1.654 -25.257 -9.371 1.00 43.22 C ATOM 1558 O ILE A 100 1.317 -26.409 -9.646 1.00 10.41 O ATOM 1559 CB ILE A 100 0.807 -24.063 -7.350 1.00 25.14 C ATOM 1560 CG1 ILE A 100 -0.305 -24.813 -6.615 1.00 33.15 C ATOM 1561 CG2 ILE A 100 0.800 -22.590 -6.971 1.00 42.40 C ATOM 1562 CD1 ILE A 100 -0.152 -24.798 -5.110 1.00 30.33 C ATOM 0 H ILE A 100 -1.006 -25.515 -8.864 1.00 73.43 H new ATOM 0 HA ILE A 100 0.842 -23.268 -9.356 1.00 21.13 H new ATOM 0 HB ILE A 100 1.765 -24.490 -7.053 1.00 25.14 H new ATOM 0 HG12 ILE A 100 -1.266 -24.371 -6.879 1.00 33.15 H new ATOM 0 HG13 ILE A 100 -0.324 -25.847 -6.960 1.00 33.15 H new ATOM 0 HG21 ILE A 100 0.914 -22.492 -5.891 1.00 42.40 H new ATOM 0 HG22 ILE A 100 1.625 -22.082 -7.471 1.00 42.40 H new ATOM 0 HG23 ILE A 100 -0.144 -22.140 -7.279 1.00 42.40 H new ATOM 0 HD11 ILE A 100 -0.975 -25.348 -4.655 1.00 30.33 H new ATOM 0 HD12 ILE A 100 0.793 -25.267 -4.836 1.00 30.33 H new ATOM 0 HD13 ILE A 100 -0.163 -23.768 -4.753 1.00 30.33 H new ATOM 1574 N PRO A 101 2.922 -24.836 -9.490 1.00 3.23 N ATOM 1575 CA PRO A 101 4.006 -25.708 -9.953 1.00 52.32 C ATOM 1576 C PRO A 101 4.356 -26.788 -8.935 1.00 43.24 C ATOM 1577 O PRO A 101 4.764 -27.890 -9.301 1.00 14.34 O ATOM 1578 CB PRO A 101 5.181 -24.745 -10.138 1.00 5.05 C ATOM 1579 CG PRO A 101 4.893 -23.613 -9.213 1.00 21.34 C ATOM 1580 CD PRO A 101 3.396 -23.476 -9.180 1.00 30.41 C ATOM 0 HA PRO A 101 3.735 -26.250 -10.859 1.00 52.32 H new ATOM 0 HB2 PRO A 101 6.128 -25.225 -9.893 1.00 5.05 H new ATOM 0 HB3 PRO A 101 5.254 -24.404 -11.171 1.00 5.05 H new ATOM 0 HG2 PRO A 101 5.289 -23.812 -8.217 1.00 21.34 H new ATOM 0 HG3 PRO A 101 5.361 -22.693 -9.564 1.00 21.34 H new ATOM 0 HD2 PRO A 101 3.045 -23.141 -8.204 1.00 30.41 H new ATOM 0 HD3 PRO A 101 3.043 -22.750 -9.913 1.00 30.41 H new