USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1171 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 73 SER OG : rot 170:sc= -1.38! USER MOD Set 1.2: A 139 CYS SG : rot -95:sc= -6.83! USER MOD Set 2.1: A 81 GLN :FLIP amide:sc= 0.175 F(o=-0.53,f=0.66) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0.166 USER MOD Set 2.3: A 127 SER OG : rot 148:sc= 0.319 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= -0.463 USER MOD Set 3.2: A 143 THR OG1 : rot 180:sc= -0.0472 USER MOD Set 4.1: A 93 CYS SG : rot -47:sc= 1.65 USER MOD Set 4.2: A 97 GLN :FLIP amide:sc= 1.71 F(o=-1.3!,f=3.4) USER MOD Set 5.1: A 76 ASN : amide:sc= 0.259 X(o=0.52,f=0.69) USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= 0.258 USER MOD Set 6.1: A 69 HIS : no HE2:sc= -10.1! C(o=-16!,f=-19!) USER MOD Set 6.2: A 71 GLN :FLIP amide:sc= -5.92! C(o=-19!,f=-16!) USER MOD Set 7.1: A 67 THR OG1 : rot 38:sc= -1.85! USER MOD Set 7.2: A 146 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.37 (180deg=0.564) USER MOD Single : A 3 GLN : amide:sc= -0.531 K(o=-0.53,f=-1.4) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.214 (180deg=-0.823) USER MOD Single : A 42 ASN : amide:sc= -6.45! C(o=-6.5!,f=-6.9!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0.168 (180deg=-0.0945) USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.381) USER MOD Single : A 49 THR OG1 : rot 39:sc= 0.321 USER MOD Single : A 57 SER OG : rot 115:sc= 1.27 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 1.21 (180deg=-2.26) USER MOD Single : A 64 GLN :FLIP amide:sc= -2.8! C(o=-7.6!,f=-2.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -120:sc= -0.553 USER MOD Single : A 106 MET CE :methyl 155:sc= -0.492 (180deg=-2.36!) USER MOD Single : A 113 MET CE :methyl -176:sc= -0.516 (180deg=-0.55) USER MOD Single : A 115 THR OG1 : rot 119:sc= 1.06 USER MOD Single : A 118 SER OG : rot 177:sc= 0.103 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 122:sc= -1.99 USER MOD Single : A 125 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.00077) USER MOD Single : A 129 SER OG : rot 140:sc= -1.9! USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc=-0.00194 X(o=-0.0019,f=0) USER MOD Single : A 145 LYS NZ :NH3+ -132:sc= 0.4! (180deg=-3.21!) USER MOD Single : A 152 HIS : no HE2:sc= 0.563 K(o=0.56,f=-5.4!) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=-0.14) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.930 -10.139 2.335 1.00 49.39 N ATOM 2 CA MET A 1 -14.883 -10.365 3.445 1.00 49.13 C ATOM 3 C MET A 1 -14.359 -11.456 4.363 1.00 48.56 C ATOM 4 O MET A 1 -13.713 -12.399 3.908 1.00 48.67 O ATOM 5 CB MET A 1 -16.263 -10.764 2.907 1.00 49.37 C ATOM 6 CG MET A 1 -16.976 -9.673 2.125 1.00 49.76 C ATOM 7 SD MET A 1 -16.210 -9.322 0.529 1.00 50.09 S ATOM 8 CE MET A 1 -17.353 -8.115 -0.130 1.00 50.23 C ATOM 0 H1 MET A 1 -14.456 -10.005 1.448 1.00 49.39 H new ATOM 0 H2 MET A 1 -13.362 -9.291 2.532 1.00 49.39 H new ATOM 0 H3 MET A 1 -13.302 -10.963 2.244 1.00 49.39 H new ATOM 0 HA MET A 1 -14.983 -9.435 4.004 1.00 49.13 H new ATOM 0 HB2 MET A 1 -16.150 -11.638 2.266 1.00 49.37 H new ATOM 0 HB3 MET A 1 -16.893 -11.063 3.745 1.00 49.37 H new ATOM 0 HG2 MET A 1 -18.013 -9.969 1.965 1.00 49.76 H new ATOM 0 HG3 MET A 1 -16.993 -8.760 2.721 1.00 49.76 H new ATOM 0 HE1 MET A 1 -17.017 -7.797 -1.117 1.00 50.23 H new ATOM 0 HE2 MET A 1 -18.345 -8.559 -0.209 1.00 50.23 H new ATOM 0 HE3 MET A 1 -17.394 -7.252 0.534 1.00 50.23 H new ATOM 20 N GLY A 2 -14.653 -11.336 5.648 1.00 47.99 N ATOM 21 CA GLY A 2 -14.108 -12.262 6.620 1.00 47.44 C ATOM 22 C GLY A 2 -15.162 -13.145 7.249 1.00 46.69 C ATOM 23 O GLY A 2 -15.161 -13.355 8.461 1.00 46.54 O ATOM 0 H GLY A 2 -15.260 -10.614 6.036 1.00 47.99 H new ATOM 0 HA2 GLY A 2 -13.358 -12.888 6.137 1.00 47.44 H new ATOM 0 HA3 GLY A 2 -13.598 -11.700 7.403 1.00 47.44 H new ATOM 27 N GLN A 3 -16.067 -13.658 6.425 1.00 46.26 N ATOM 28 CA GLN A 3 -17.084 -14.594 6.885 1.00 45.58 C ATOM 29 C GLN A 3 -17.739 -15.311 5.695 1.00 45.14 C ATOM 30 O GLN A 3 -17.776 -16.538 5.677 1.00 45.18 O ATOM 31 CB GLN A 3 -18.135 -13.891 7.764 1.00 45.54 C ATOM 32 CG GLN A 3 -18.915 -14.846 8.658 1.00 45.20 C ATOM 33 CD GLN A 3 -19.995 -15.613 7.921 1.00 45.11 C ATOM 34 OE1 GLN A 3 -20.622 -15.097 6.996 1.00 45.20 O ATOM 35 NE2 GLN A 3 -20.200 -16.859 8.307 1.00 45.01 N ATOM 0 H GLN A 3 -16.117 -13.440 5.430 1.00 46.26 H new ATOM 0 HA GLN A 3 -16.595 -15.347 7.504 1.00 45.58 H new ATOM 0 HB2 GLN A 3 -17.638 -13.147 8.387 1.00 45.54 H new ATOM 0 HB3 GLN A 3 -18.834 -13.354 7.122 1.00 45.54 H new ATOM 0 HG2 GLN A 3 -18.222 -15.554 9.112 1.00 45.20 H new ATOM 0 HG3 GLN A 3 -19.371 -14.281 9.471 1.00 45.20 H new ATOM 0 HE21 GLN A 3 -19.659 -17.249 9.078 1.00 45.01 H new ATOM 0 HE22 GLN A 3 -20.899 -17.431 7.834 1.00 45.01 H new ATOM 44 N PRO A 4 -18.274 -14.569 4.689 1.00 44.78 N ATOM 45 CA PRO A 4 -18.873 -15.185 3.491 1.00 44.40 C ATOM 46 C PRO A 4 -17.995 -16.275 2.840 1.00 43.91 C ATOM 47 O PRO A 4 -18.491 -17.370 2.572 1.00 43.73 O ATOM 48 CB PRO A 4 -19.082 -14.003 2.548 1.00 44.25 C ATOM 49 CG PRO A 4 -19.278 -12.841 3.457 1.00 44.46 C ATOM 50 CD PRO A 4 -18.390 -13.094 4.647 1.00 44.80 C ATOM 0 HA PRO A 4 -19.791 -15.717 3.740 1.00 44.40 H new ATOM 0 HB2 PRO A 4 -18.221 -13.857 1.895 1.00 44.25 H new ATOM 0 HB3 PRO A 4 -19.948 -14.156 1.904 1.00 44.25 H new ATOM 0 HG2 PRO A 4 -19.011 -11.908 2.961 1.00 44.46 H new ATOM 0 HG3 PRO A 4 -20.321 -12.753 3.760 1.00 44.46 H new ATOM 0 HD2 PRO A 4 -17.416 -12.619 4.529 1.00 44.80 H new ATOM 0 HD3 PRO A 4 -18.827 -12.700 5.564 1.00 44.80 H new ATOM 58 N PRO A 5 -16.694 -16.013 2.557 1.00 43.76 N ATOM 59 CA PRO A 5 -15.795 -17.049 2.036 1.00 43.36 C ATOM 60 C PRO A 5 -15.444 -18.072 3.112 1.00 42.76 C ATOM 61 O PRO A 5 -14.957 -17.712 4.185 1.00 42.58 O ATOM 62 CB PRO A 5 -14.540 -16.274 1.594 1.00 43.41 C ATOM 63 CG PRO A 5 -14.916 -14.830 1.657 1.00 43.89 C ATOM 64 CD PRO A 5 -15.991 -14.730 2.695 1.00 44.02 C ATOM 0 HA PRO A 5 -16.250 -17.615 1.223 1.00 43.36 H new ATOM 0 HB2 PRO A 5 -13.696 -16.488 2.250 1.00 43.41 H new ATOM 0 HB3 PRO A 5 -14.240 -16.557 0.585 1.00 43.41 H new ATOM 0 HG2 PRO A 5 -14.057 -14.214 1.924 1.00 43.89 H new ATOM 0 HG3 PRO A 5 -15.273 -14.477 0.690 1.00 43.89 H new ATOM 0 HD2 PRO A 5 -15.577 -14.601 3.695 1.00 44.02 H new ATOM 0 HD3 PRO A 5 -16.653 -13.884 2.512 1.00 44.02 H new ATOM 72 N ALA A 6 -15.696 -19.342 2.828 1.00 42.50 N ATOM 73 CA ALA A 6 -15.472 -20.390 3.809 1.00 41.97 C ATOM 74 C ALA A 6 -14.806 -21.603 3.170 1.00 41.42 C ATOM 75 O ALA A 6 -15.053 -21.917 2.004 1.00 41.39 O ATOM 76 CB ALA A 6 -16.791 -20.790 4.456 1.00 42.03 C ATOM 0 H ALA A 6 -16.054 -19.669 1.930 1.00 42.50 H new ATOM 0 HA ALA A 6 -14.802 -20.003 4.577 1.00 41.97 H new ATOM 0 HB1 ALA A 6 -16.613 -21.576 5.190 1.00 42.03 H new ATOM 0 HB2 ALA A 6 -17.231 -19.924 4.951 1.00 42.03 H new ATOM 0 HB3 ALA A 6 -17.475 -21.156 3.691 1.00 42.03 H new ATOM 82 N GLU A 7 -13.964 -22.273 3.945 1.00 41.05 N ATOM 83 CA GLU A 7 -13.266 -23.468 3.489 1.00 40.56 C ATOM 84 C GLU A 7 -13.870 -24.700 4.155 1.00 40.16 C ATOM 85 O GLU A 7 -14.309 -24.644 5.303 1.00 40.13 O ATOM 86 CB GLU A 7 -11.767 -23.351 3.809 1.00 40.61 C ATOM 87 CG GLU A 7 -10.942 -24.593 3.491 1.00 40.78 C ATOM 88 CD GLU A 7 -11.002 -24.997 2.029 1.00 41.03 C ATOM 89 OE1 GLU A 7 -10.178 -24.497 1.235 1.00 40.82 O ATOM 90 OE2 GLU A 7 -11.867 -25.830 1.674 1.00 41.50 O ATOM 0 H GLU A 7 -13.746 -22.005 4.905 1.00 41.05 H new ATOM 0 HA GLU A 7 -13.379 -23.568 2.409 1.00 40.56 H new ATOM 0 HB2 GLU A 7 -11.357 -22.508 3.253 1.00 40.61 H new ATOM 0 HB3 GLU A 7 -11.654 -23.119 4.868 1.00 40.61 H new ATOM 0 HG2 GLU A 7 -9.904 -24.411 3.768 1.00 40.78 H new ATOM 0 HG3 GLU A 7 -11.295 -25.422 4.104 1.00 40.78 H new ATOM 97 N GLU A 8 -13.883 -25.808 3.434 1.00 39.89 N ATOM 98 CA GLU A 8 -14.504 -27.037 3.917 1.00 39.55 C ATOM 99 C GLU A 8 -13.489 -27.908 4.644 1.00 39.08 C ATOM 100 O GLU A 8 -13.841 -28.927 5.235 1.00 38.77 O ATOM 101 CB GLU A 8 -15.103 -27.817 2.747 1.00 39.61 C ATOM 102 CG GLU A 8 -16.115 -27.025 1.935 1.00 39.77 C ATOM 103 CD GLU A 8 -16.533 -27.756 0.677 1.00 40.05 C ATOM 104 OE1 GLU A 8 -15.724 -27.841 -0.270 1.00 40.04 O ATOM 105 OE2 GLU A 8 -17.689 -28.228 0.627 1.00 40.33 O ATOM 0 H GLU A 8 -13.468 -25.885 2.505 1.00 39.89 H new ATOM 0 HA GLU A 8 -15.295 -26.766 4.616 1.00 39.55 H new ATOM 0 HB2 GLU A 8 -14.297 -28.142 2.089 1.00 39.61 H new ATOM 0 HB3 GLU A 8 -15.584 -28.717 3.131 1.00 39.61 H new ATOM 0 HG2 GLU A 8 -16.995 -26.826 2.547 1.00 39.77 H new ATOM 0 HG3 GLU A 8 -15.688 -26.059 1.667 1.00 39.77 H new ATOM 112 N ALA A 9 -12.227 -27.508 4.585 1.00 39.09 N ATOM 113 CA ALA A 9 -11.160 -28.252 5.243 1.00 38.75 C ATOM 114 C ALA A 9 -11.183 -28.015 6.748 1.00 38.56 C ATOM 115 O ALA A 9 -10.787 -28.881 7.524 1.00 38.67 O ATOM 116 CB ALA A 9 -9.802 -27.866 4.666 1.00 38.76 C ATOM 0 H ALA A 9 -11.916 -26.673 4.089 1.00 39.09 H new ATOM 0 HA ALA A 9 -11.326 -29.314 5.060 1.00 38.75 H new ATOM 0 HB1 ALA A 9 -9.018 -28.432 5.170 1.00 38.76 H new ATOM 0 HB2 ALA A 9 -9.783 -28.090 3.599 1.00 38.76 H new ATOM 0 HB3 ALA A 9 -9.633 -26.800 4.816 1.00 38.76 H new ATOM 122 N GLU A 10 -11.664 -26.834 7.136 1.00 38.35 N ATOM 123 CA GLU A 10 -11.743 -26.416 8.537 1.00 38.21 C ATOM 124 C GLU A 10 -10.360 -26.315 9.176 1.00 37.73 C ATOM 125 O GLU A 10 -9.811 -27.300 9.675 1.00 37.49 O ATOM 126 CB GLU A 10 -12.639 -27.343 9.366 1.00 38.40 C ATOM 127 CG GLU A 10 -12.698 -26.963 10.842 1.00 38.59 C ATOM 128 CD GLU A 10 -13.357 -25.615 11.089 1.00 38.73 C ATOM 129 OE1 GLU A 10 -12.890 -24.607 10.518 1.00 38.81 O ATOM 130 OE2 GLU A 10 -14.349 -25.554 11.854 1.00 38.82 O ATOM 0 H GLU A 10 -12.013 -26.134 6.482 1.00 38.35 H new ATOM 0 HA GLU A 10 -12.195 -25.424 8.534 1.00 38.21 H new ATOM 0 HB2 GLU A 10 -13.648 -27.327 8.953 1.00 38.40 H new ATOM 0 HB3 GLU A 10 -12.274 -28.366 9.276 1.00 38.40 H new ATOM 0 HG2 GLU A 10 -13.245 -27.733 11.387 1.00 38.59 H new ATOM 0 HG3 GLU A 10 -11.686 -26.945 11.246 1.00 38.59 H new ATOM 137 N GLN A 11 -9.801 -25.116 9.134 1.00 37.65 N ATOM 138 CA GLN A 11 -8.546 -24.807 9.807 1.00 37.26 C ATOM 139 C GLN A 11 -8.291 -23.302 9.787 1.00 36.82 C ATOM 140 O GLN A 11 -7.556 -22.792 8.943 1.00 36.78 O ATOM 141 CB GLN A 11 -7.356 -25.562 9.194 1.00 37.34 C ATOM 142 CG GLN A 11 -7.326 -25.572 7.674 1.00 37.71 C ATOM 143 CD GLN A 11 -6.051 -26.181 7.128 1.00 37.79 C ATOM 144 OE1 GLN A 11 -5.087 -25.476 6.833 1.00 37.58 O ATOM 145 NE2 GLN A 11 -6.018 -27.499 7.032 1.00 38.16 N ATOM 0 H GLN A 11 -10.205 -24.326 8.631 1.00 37.65 H new ATOM 0 HA GLN A 11 -8.641 -25.141 10.840 1.00 37.26 H new ATOM 0 HB2 GLN A 11 -6.432 -25.114 9.559 1.00 37.34 H new ATOM 0 HB3 GLN A 11 -7.374 -26.592 9.550 1.00 37.34 H new ATOM 0 HG2 GLN A 11 -8.183 -26.132 7.300 1.00 37.71 H new ATOM 0 HG3 GLN A 11 -7.426 -24.552 7.304 1.00 37.71 H new ATOM 0 HE21 GLN A 11 -6.838 -28.050 7.286 1.00 38.16 H new ATOM 0 HE22 GLN A 11 -5.172 -27.965 6.704 1.00 38.16 H new ATOM 154 N PRO A 12 -8.958 -22.561 10.684 1.00 36.56 N ATOM 155 CA PRO A 12 -8.746 -21.127 10.835 1.00 36.18 C ATOM 156 C PRO A 12 -7.618 -20.812 11.817 1.00 35.97 C ATOM 157 O PRO A 12 -6.992 -21.719 12.371 1.00 36.19 O ATOM 158 CB PRO A 12 -10.091 -20.653 11.381 1.00 36.06 C ATOM 159 CG PRO A 12 -10.602 -21.802 12.187 1.00 36.50 C ATOM 160 CD PRO A 12 -9.997 -23.058 11.604 1.00 36.70 C ATOM 0 HA PRO A 12 -8.447 -20.642 9.906 1.00 36.18 H new ATOM 0 HB2 PRO A 12 -9.976 -19.759 11.995 1.00 36.06 H new ATOM 0 HB3 PRO A 12 -10.778 -20.399 10.574 1.00 36.06 H new ATOM 0 HG2 PRO A 12 -10.324 -21.691 13.235 1.00 36.50 H new ATOM 0 HG3 PRO A 12 -11.690 -21.845 12.149 1.00 36.50 H new ATOM 0 HD2 PRO A 12 -9.571 -23.693 12.381 1.00 36.70 H new ATOM 0 HD3 PRO A 12 -10.743 -23.654 11.078 1.00 36.70 H new ATOM 168 N GLY A 13 -7.363 -19.529 12.025 1.00 35.61 N ATOM 169 CA GLY A 13 -6.341 -19.123 12.967 1.00 35.47 C ATOM 170 C GLY A 13 -6.793 -19.293 14.401 1.00 35.16 C ATOM 171 O GLY A 13 -7.875 -18.836 14.775 1.00 35.17 O ATOM 0 H GLY A 13 -7.846 -18.761 11.558 1.00 35.61 H new ATOM 0 HA2 GLY A 13 -5.439 -19.711 12.799 1.00 35.47 H new ATOM 0 HA3 GLY A 13 -6.079 -18.080 12.791 1.00 35.47 H new ATOM 175 N ALA A 14 -5.971 -19.950 15.201 1.00 34.97 N ATOM 176 CA ALA A 14 -6.308 -20.221 16.591 1.00 34.74 C ATOM 177 C ALA A 14 -5.750 -19.141 17.507 1.00 34.24 C ATOM 178 O ALA A 14 -4.539 -18.965 17.603 1.00 34.14 O ATOM 179 CB ALA A 14 -5.775 -21.585 17.007 1.00 35.03 C ATOM 0 H ALA A 14 -5.061 -20.308 14.911 1.00 34.97 H new ATOM 0 HA ALA A 14 -7.394 -20.221 16.682 1.00 34.74 H new ATOM 0 HB1 ALA A 14 -6.034 -21.775 18.049 1.00 35.03 H new ATOM 0 HB2 ALA A 14 -6.218 -22.356 16.377 1.00 35.03 H new ATOM 0 HB3 ALA A 14 -4.691 -21.602 16.894 1.00 35.03 H new ATOM 185 N LEU A 15 -6.633 -18.416 18.174 1.00 34.01 N ATOM 186 CA LEU A 15 -6.220 -17.388 19.120 1.00 33.60 C ATOM 187 C LEU A 15 -6.971 -17.558 20.432 1.00 33.26 C ATOM 188 O LEU A 15 -7.824 -18.440 20.542 1.00 33.39 O ATOM 189 CB LEU A 15 -6.426 -15.983 18.524 1.00 33.42 C ATOM 190 CG LEU A 15 -7.843 -15.645 18.038 1.00 33.48 C ATOM 191 CD1 LEU A 15 -8.717 -15.156 19.183 1.00 33.70 C ATOM 192 CD2 LEU A 15 -7.783 -14.601 16.933 1.00 33.25 C ATOM 0 H LEU A 15 -7.643 -18.520 18.079 1.00 34.01 H new ATOM 0 HA LEU A 15 -5.155 -17.499 19.323 1.00 33.60 H new ATOM 0 HB2 LEU A 15 -6.139 -15.248 19.276 1.00 33.42 H new ATOM 0 HB3 LEU A 15 -5.740 -15.865 17.685 1.00 33.42 H new ATOM 0 HG LEU A 15 -8.291 -16.556 17.641 1.00 33.48 H new ATOM 0 HD11 LEU A 15 -9.714 -14.925 18.807 1.00 33.70 H new ATOM 0 HD12 LEU A 15 -8.788 -15.933 19.944 1.00 33.70 H new ATOM 0 HD13 LEU A 15 -8.277 -14.259 19.619 1.00 33.70 H new ATOM 0 HD21 LEU A 15 -8.793 -14.369 16.596 1.00 33.25 H new ATOM 0 HD22 LEU A 15 -7.311 -13.695 17.313 1.00 33.25 H new ATOM 0 HD23 LEU A 15 -7.202 -14.989 16.097 1.00 33.25 H new ATOM 204 N ALA A 16 -6.646 -16.721 21.416 1.00 32.89 N ATOM 205 CA ALA A 16 -7.257 -16.793 22.741 1.00 32.59 C ATOM 206 C ALA A 16 -6.935 -18.126 23.404 1.00 31.98 C ATOM 207 O ALA A 16 -7.718 -19.075 23.357 1.00 31.63 O ATOM 208 CB ALA A 16 -8.767 -16.564 22.677 1.00 32.80 C ATOM 0 H ALA A 16 -5.955 -15.977 21.318 1.00 32.89 H new ATOM 0 HA ALA A 16 -6.833 -15.993 23.349 1.00 32.59 H new ATOM 0 HB1 ALA A 16 -9.187 -16.625 23.681 1.00 32.80 H new ATOM 0 HB2 ALA A 16 -8.968 -15.578 22.259 1.00 32.80 H new ATOM 0 HB3 ALA A 16 -9.224 -17.326 22.046 1.00 32.80 H new ATOM 214 N ARG A 17 -5.760 -18.194 24.002 1.00 31.94 N ATOM 215 CA ARG A 17 -5.285 -19.417 24.621 1.00 31.46 C ATOM 216 C ARG A 17 -4.777 -19.122 26.019 1.00 31.11 C ATOM 217 O ARG A 17 -4.412 -17.985 26.324 1.00 31.11 O ATOM 218 CB ARG A 17 -4.168 -20.040 23.776 1.00 31.72 C ATOM 219 CG ARG A 17 -2.986 -19.113 23.556 1.00 31.75 C ATOM 220 CD ARG A 17 -1.977 -19.706 22.586 1.00 31.70 C ATOM 221 NE ARG A 17 -2.501 -19.792 21.220 1.00 31.67 N ATOM 222 CZ ARG A 17 -1.734 -19.731 20.129 1.00 31.67 C ATOM 223 NH1 ARG A 17 -0.416 -19.612 20.249 1.00 31.70 N ATOM 224 NH2 ARG A 17 -2.284 -19.783 18.921 1.00 31.71 N ATOM 0 H ARG A 17 -5.112 -17.409 24.072 1.00 31.94 H new ATOM 0 HA ARG A 17 -6.111 -20.125 24.684 1.00 31.46 H new ATOM 0 HB2 ARG A 17 -3.820 -20.951 24.263 1.00 31.72 H new ATOM 0 HB3 ARG A 17 -4.575 -20.332 22.808 1.00 31.72 H new ATOM 0 HG2 ARG A 17 -3.341 -18.157 23.172 1.00 31.75 H new ATOM 0 HG3 ARG A 17 -2.499 -18.913 24.510 1.00 31.75 H new ATOM 0 HD2 ARG A 17 -1.073 -19.097 22.588 1.00 31.70 H new ATOM 0 HD3 ARG A 17 -1.691 -20.701 22.926 1.00 31.70 H new ATOM 0 HE ARG A 17 -3.507 -19.905 21.096 1.00 31.67 H new ATOM 0 HH11 ARG A 17 0.010 -19.567 21.175 1.00 31.70 H new ATOM 0 HH12 ARG A 17 0.170 -19.565 19.415 1.00 31.70 H new ATOM 0 HH21 ARG A 17 -3.296 -19.870 18.825 1.00 31.71 H new ATOM 0 HH22 ARG A 17 -1.695 -19.736 18.090 1.00 31.71 H new ATOM 238 N GLU A 18 -4.760 -20.128 26.873 1.00 30.90 N ATOM 239 CA GLU A 18 -4.239 -19.948 28.216 1.00 30.62 C ATOM 240 C GLU A 18 -2.733 -20.177 28.232 1.00 30.39 C ATOM 241 O GLU A 18 -2.244 -21.245 28.600 1.00 30.35 O ATOM 242 CB GLU A 18 -4.952 -20.852 29.223 1.00 30.67 C ATOM 243 CG GLU A 18 -5.098 -22.299 28.789 1.00 30.69 C ATOM 244 CD GLU A 18 -5.763 -23.141 29.851 1.00 30.90 C ATOM 245 OE1 GLU A 18 -6.266 -22.571 30.839 1.00 31.24 O ATOM 246 OE2 GLU A 18 -5.784 -24.383 29.708 1.00 30.81 O ATOM 0 H GLU A 18 -5.097 -21.068 26.665 1.00 30.90 H new ATOM 0 HA GLU A 18 -4.433 -18.920 28.521 1.00 30.62 H new ATOM 0 HB2 GLU A 18 -4.405 -20.824 30.166 1.00 30.67 H new ATOM 0 HB3 GLU A 18 -5.944 -20.444 29.417 1.00 30.67 H new ATOM 0 HG2 GLU A 18 -5.683 -22.345 27.870 1.00 30.69 H new ATOM 0 HG3 GLU A 18 -4.115 -22.711 28.562 1.00 30.69 H new ATOM 253 N PHE A 19 -2.011 -19.168 27.782 1.00 30.33 N ATOM 254 CA PHE A 19 -0.565 -19.216 27.732 1.00 30.21 C ATOM 255 C PHE A 19 0.008 -17.870 28.156 1.00 29.75 C ATOM 256 O PHE A 19 -0.607 -16.828 27.935 1.00 29.69 O ATOM 257 CB PHE A 19 -0.097 -19.581 26.319 1.00 30.57 C ATOM 258 CG PHE A 19 1.397 -19.662 26.181 1.00 30.68 C ATOM 259 CD1 PHE A 19 2.106 -20.674 26.807 1.00 31.05 C ATOM 260 CD2 PHE A 19 2.090 -18.734 25.418 1.00 30.51 C ATOM 261 CE1 PHE A 19 3.478 -20.759 26.676 1.00 31.24 C ATOM 262 CE2 PHE A 19 3.462 -18.813 25.285 1.00 30.71 C ATOM 263 CZ PHE A 19 4.161 -19.800 25.935 1.00 31.07 C ATOM 0 H PHE A 19 -2.411 -18.294 27.442 1.00 30.33 H new ATOM 0 HA PHE A 19 -0.207 -19.982 28.420 1.00 30.21 H new ATOM 0 HB2 PHE A 19 -0.532 -20.540 26.038 1.00 30.57 H new ATOM 0 HB3 PHE A 19 -0.479 -18.840 25.616 1.00 30.57 H new ATOM 0 HD1 PHE A 19 1.580 -21.404 27.404 1.00 31.05 H new ATOM 0 HD2 PHE A 19 1.550 -17.941 24.922 1.00 30.51 H new ATOM 0 HE1 PHE A 19 4.019 -21.567 27.147 1.00 31.24 H new ATOM 0 HE2 PHE A 19 3.986 -18.097 24.669 1.00 30.71 H new ATOM 0 HZ PHE A 19 5.239 -19.832 25.871 1.00 31.07 H new ATOM 273 N LEU A 20 1.173 -17.900 28.781 1.00 29.50 N ATOM 274 CA LEU A 20 1.827 -16.685 29.232 1.00 29.16 C ATOM 275 C LEU A 20 2.365 -15.904 28.038 1.00 28.50 C ATOM 276 O LEU A 20 3.379 -16.277 27.444 1.00 28.35 O ATOM 277 CB LEU A 20 2.963 -17.023 30.198 1.00 29.33 C ATOM 278 CG LEU A 20 2.569 -17.920 31.371 1.00 29.60 C ATOM 279 CD1 LEU A 20 3.774 -18.182 32.265 1.00 29.57 C ATOM 280 CD2 LEU A 20 1.423 -17.295 32.163 1.00 29.85 C ATOM 0 H LEU A 20 1.686 -18.757 28.988 1.00 29.50 H new ATOM 0 HA LEU A 20 1.097 -16.067 29.755 1.00 29.16 H new ATOM 0 HB2 LEU A 20 3.762 -17.511 29.639 1.00 29.33 H new ATOM 0 HB3 LEU A 20 3.373 -16.093 30.593 1.00 29.33 H new ATOM 0 HG LEU A 20 2.223 -18.876 30.979 1.00 29.60 H new ATOM 0 HD11 LEU A 20 3.478 -18.822 33.096 1.00 29.57 H new ATOM 0 HD12 LEU A 20 4.555 -18.676 31.687 1.00 29.57 H new ATOM 0 HD13 LEU A 20 4.152 -17.236 32.653 1.00 29.57 H new ATOM 0 HD21 LEU A 20 1.156 -17.948 32.994 1.00 29.85 H new ATOM 0 HD22 LEU A 20 1.735 -16.325 32.550 1.00 29.85 H new ATOM 0 HD23 LEU A 20 0.559 -17.166 31.512 1.00 29.85 H new ATOM 292 N ALA A 21 1.672 -14.839 27.672 1.00 28.20 N ATOM 293 CA ALA A 21 2.068 -14.028 26.532 1.00 27.66 C ATOM 294 C ALA A 21 3.261 -13.139 26.879 1.00 27.05 C ATOM 295 O ALA A 21 3.127 -11.922 27.033 1.00 26.92 O ATOM 296 CB ALA A 21 0.891 -13.193 26.045 1.00 27.59 C ATOM 0 H ALA A 21 0.830 -14.515 28.149 1.00 28.20 H new ATOM 0 HA ALA A 21 2.376 -14.695 25.727 1.00 27.66 H new ATOM 0 HB1 ALA A 21 1.201 -12.590 25.191 1.00 27.59 H new ATOM 0 HB2 ALA A 21 0.076 -13.852 25.747 1.00 27.59 H new ATOM 0 HB3 ALA A 21 0.553 -12.538 26.848 1.00 27.59 H new ATOM 302 N ALA A 22 4.423 -13.764 27.036 1.00 26.78 N ATOM 303 CA ALA A 22 5.646 -13.046 27.361 1.00 26.29 C ATOM 304 C ALA A 22 6.376 -12.610 26.095 1.00 25.93 C ATOM 305 O ALA A 22 6.958 -11.530 26.044 1.00 26.15 O ATOM 306 CB ALA A 22 6.550 -13.918 28.226 1.00 26.23 C ATOM 0 H ALA A 22 4.542 -14.773 26.942 1.00 26.78 H new ATOM 0 HA ALA A 22 5.380 -12.149 27.921 1.00 26.29 H new ATOM 0 HB1 ALA A 22 7.463 -13.372 28.464 1.00 26.23 H new ATOM 0 HB2 ALA A 22 6.031 -14.177 29.149 1.00 26.23 H new ATOM 0 HB3 ALA A 22 6.803 -14.829 27.684 1.00 26.23 H new ATOM 312 N MET A 23 6.335 -13.453 25.069 1.00 25.45 N ATOM 313 CA MET A 23 7.016 -13.151 23.818 1.00 25.17 C ATOM 314 C MET A 23 6.026 -13.110 22.660 1.00 24.29 C ATOM 315 O MET A 23 6.414 -13.146 21.492 1.00 24.04 O ATOM 316 CB MET A 23 8.113 -14.182 23.541 1.00 25.82 C ATOM 317 CG MET A 23 9.239 -14.176 24.569 1.00 26.18 C ATOM 318 SD MET A 23 10.563 -15.333 24.167 1.00 26.73 S ATOM 319 CE MET A 23 11.124 -14.673 22.597 1.00 27.47 C ATOM 0 H MET A 23 5.840 -14.345 25.079 1.00 25.45 H new ATOM 0 HA MET A 23 7.477 -12.168 23.912 1.00 25.17 H new ATOM 0 HB2 MET A 23 7.666 -15.176 23.512 1.00 25.82 H new ATOM 0 HB3 MET A 23 8.534 -13.994 22.554 1.00 25.82 H new ATOM 0 HG2 MET A 23 9.652 -13.170 24.642 1.00 26.18 H new ATOM 0 HG3 MET A 23 8.831 -14.425 25.549 1.00 26.18 H new ATOM 0 HE1 MET A 23 12.151 -14.990 22.415 1.00 27.47 H new ATOM 0 HE2 MET A 23 10.483 -15.043 21.797 1.00 27.47 H new ATOM 0 HE3 MET A 23 11.079 -13.584 22.623 1.00 27.47 H new ATOM 329 N GLU A 24 4.742 -13.031 22.992 1.00 23.92 N ATOM 330 CA GLU A 24 3.697 -12.896 21.985 1.00 23.15 C ATOM 331 C GLU A 24 2.640 -11.898 22.438 1.00 22.22 C ATOM 332 O GLU A 24 1.988 -12.105 23.456 1.00 22.21 O ATOM 333 CB GLU A 24 3.008 -14.234 21.691 1.00 23.57 C ATOM 334 CG GLU A 24 3.895 -15.285 21.049 1.00 23.67 C ATOM 335 CD GLU A 24 3.082 -16.420 20.463 1.00 24.03 C ATOM 336 OE1 GLU A 24 2.637 -17.298 21.237 1.00 24.02 O ATOM 337 OE2 GLU A 24 2.907 -16.463 19.232 1.00 24.41 O ATOM 0 H GLU A 24 4.400 -13.058 23.953 1.00 23.92 H new ATOM 0 HA GLU A 24 4.184 -12.543 21.076 1.00 23.15 H new ATOM 0 HB2 GLU A 24 2.613 -14.635 22.624 1.00 23.57 H new ATOM 0 HB3 GLU A 24 2.156 -14.051 21.037 1.00 23.57 H new ATOM 0 HG2 GLU A 24 4.496 -14.825 20.265 1.00 23.67 H new ATOM 0 HG3 GLU A 24 4.588 -15.679 21.792 1.00 23.67 H new ATOM 344 N PRO A 25 2.478 -10.792 21.708 1.00 21.54 N ATOM 345 CA PRO A 25 1.391 -9.850 21.944 1.00 20.70 C ATOM 346 C PRO A 25 0.085 -10.357 21.341 1.00 19.96 C ATOM 347 O PRO A 25 0.099 -11.220 20.456 1.00 19.79 O ATOM 348 CB PRO A 25 1.850 -8.565 21.229 1.00 20.35 C ATOM 349 CG PRO A 25 3.226 -8.851 20.709 1.00 20.99 C ATOM 350 CD PRO A 25 3.340 -10.346 20.613 1.00 21.63 C ATOM 0 HA PRO A 25 1.196 -9.700 23.006 1.00 20.70 H new ATOM 0 HB2 PRO A 25 1.171 -8.307 20.416 1.00 20.35 H new ATOM 0 HB3 PRO A 25 1.860 -7.719 21.916 1.00 20.35 H new ATOM 0 HG2 PRO A 25 3.377 -8.386 19.735 1.00 20.99 H new ATOM 0 HG3 PRO A 25 3.986 -8.445 21.377 1.00 20.99 H new ATOM 0 HD2 PRO A 25 2.998 -10.719 19.648 1.00 21.63 H new ATOM 0 HD3 PRO A 25 4.368 -10.685 20.740 1.00 21.63 H new ATOM 358 N GLU A 26 -1.035 -9.839 21.830 1.00 19.63 N ATOM 359 CA GLU A 26 -2.342 -10.194 21.292 1.00 19.01 C ATOM 360 C GLU A 26 -2.394 -9.942 19.787 1.00 17.82 C ATOM 361 O GLU A 26 -1.821 -8.967 19.295 1.00 17.39 O ATOM 362 CB GLU A 26 -3.459 -9.401 21.982 1.00 19.23 C ATOM 363 CG GLU A 26 -3.592 -9.673 23.474 1.00 19.90 C ATOM 364 CD GLU A 26 -2.649 -8.832 24.316 1.00 20.41 C ATOM 365 OE1 GLU A 26 -1.457 -9.194 24.411 1.00 20.64 O ATOM 366 OE2 GLU A 26 -3.090 -7.809 24.876 1.00 20.67 O ATOM 0 H GLU A 26 -1.064 -9.170 22.600 1.00 19.63 H new ATOM 0 HA GLU A 26 -2.496 -11.256 21.483 1.00 19.01 H new ATOM 0 HB2 GLU A 26 -3.278 -8.336 21.834 1.00 19.23 H new ATOM 0 HB3 GLU A 26 -4.407 -9.634 21.496 1.00 19.23 H new ATOM 0 HG2 GLU A 26 -4.619 -9.478 23.783 1.00 19.90 H new ATOM 0 HG3 GLU A 26 -3.397 -10.728 23.664 1.00 19.90 H new ATOM 373 N PRO A 27 -3.072 -10.825 19.042 1.00 17.38 N ATOM 374 CA PRO A 27 -3.198 -10.709 17.584 1.00 16.31 C ATOM 375 C PRO A 27 -3.883 -9.411 17.165 1.00 15.58 C ATOM 376 O PRO A 27 -5.069 -9.205 17.432 1.00 15.74 O ATOM 377 CB PRO A 27 -4.060 -11.914 17.194 1.00 16.33 C ATOM 378 CG PRO A 27 -3.934 -12.865 18.335 1.00 17.43 C ATOM 379 CD PRO A 27 -3.770 -12.014 19.559 1.00 18.02 C ATOM 0 HA PRO A 27 -2.224 -10.693 17.096 1.00 16.31 H new ATOM 0 HB2 PRO A 27 -5.098 -11.622 17.037 1.00 16.33 H new ATOM 0 HB3 PRO A 27 -3.711 -12.364 16.265 1.00 16.33 H new ATOM 0 HG2 PRO A 27 -4.817 -13.499 18.415 1.00 17.43 H new ATOM 0 HG3 PRO A 27 -3.078 -13.526 18.201 1.00 17.43 H new ATOM 0 HD2 PRO A 27 -4.731 -11.757 20.004 1.00 18.02 H new ATOM 0 HD3 PRO A 27 -3.188 -12.521 20.329 1.00 18.02 H new ATOM 387 N ALA A 28 -3.121 -8.536 16.525 1.00 14.93 N ATOM 388 CA ALA A 28 -3.642 -7.262 16.054 1.00 14.31 C ATOM 389 C ALA A 28 -4.417 -7.448 14.755 1.00 13.28 C ATOM 390 O ALA A 28 -4.088 -8.321 13.951 1.00 12.82 O ATOM 391 CB ALA A 28 -2.499 -6.278 15.852 1.00 14.27 C ATOM 0 H ALA A 28 -2.133 -8.687 16.319 1.00 14.93 H new ATOM 0 HA ALA A 28 -4.324 -6.863 16.805 1.00 14.31 H new ATOM 0 HB1 ALA A 28 -2.896 -5.326 15.499 1.00 14.27 H new ATOM 0 HB2 ALA A 28 -1.978 -6.126 16.798 1.00 14.27 H new ATOM 0 HB3 ALA A 28 -1.802 -6.676 15.114 1.00 14.27 H new ATOM 397 N PRO A 29 -5.464 -6.639 14.540 1.00 13.06 N ATOM 398 CA PRO A 29 -6.273 -6.704 13.323 1.00 12.21 C ATOM 399 C PRO A 29 -5.494 -6.255 12.090 1.00 11.34 C ATOM 400 O PRO A 29 -4.881 -5.188 12.082 1.00 11.36 O ATOM 401 CB PRO A 29 -7.437 -5.740 13.595 1.00 12.51 C ATOM 402 CG PRO A 29 -7.384 -5.447 15.058 1.00 13.50 C ATOM 403 CD PRO A 29 -5.949 -5.605 15.464 1.00 13.81 C ATOM 0 HA PRO A 29 -6.595 -7.723 13.111 1.00 12.21 H new ATOM 0 HB2 PRO A 29 -7.335 -4.827 13.009 1.00 12.51 H new ATOM 0 HB3 PRO A 29 -8.391 -6.190 13.320 1.00 12.51 H new ATOM 0 HG2 PRO A 29 -7.739 -4.438 15.266 1.00 13.50 H new ATOM 0 HG3 PRO A 29 -8.024 -6.131 15.616 1.00 13.50 H new ATOM 0 HD2 PRO A 29 -5.393 -4.674 15.357 1.00 13.81 H new ATOM 0 HD3 PRO A 29 -5.854 -5.915 16.505 1.00 13.81 H new ATOM 411 N ALA A 30 -5.513 -7.077 11.056 1.00 10.76 N ATOM 412 CA ALA A 30 -4.853 -6.734 9.807 1.00 10.06 C ATOM 413 C ALA A 30 -5.826 -6.085 8.815 1.00 8.93 C ATOM 414 O ALA A 30 -5.532 -5.019 8.275 1.00 8.35 O ATOM 415 CB ALA A 30 -4.184 -7.958 9.197 1.00 10.54 C ATOM 0 H ALA A 30 -5.977 -7.985 11.055 1.00 10.76 H new ATOM 0 HA ALA A 30 -4.080 -5.999 10.031 1.00 10.06 H new ATOM 0 HB1 ALA A 30 -3.696 -7.679 8.263 1.00 10.54 H new ATOM 0 HB2 ALA A 30 -3.441 -8.350 9.891 1.00 10.54 H new ATOM 0 HB3 ALA A 30 -4.935 -8.723 8.999 1.00 10.54 H new ATOM 421 N PRO A 31 -6.996 -6.706 8.543 1.00 8.82 N ATOM 422 CA PRO A 31 -7.994 -6.114 7.660 1.00 7.95 C ATOM 423 C PRO A 31 -8.741 -4.974 8.340 1.00 6.75 C ATOM 424 O PRO A 31 -9.585 -5.201 9.209 1.00 6.83 O ATOM 425 CB PRO A 31 -8.956 -7.272 7.340 1.00 8.63 C ATOM 426 CG PRO A 31 -8.328 -8.494 7.929 1.00 9.60 C ATOM 427 CD PRO A 31 -7.442 -8.014 9.041 1.00 9.77 C ATOM 0 HA PRO A 31 -7.539 -5.681 6.769 1.00 7.95 H new ATOM 0 HB2 PRO A 31 -9.942 -7.092 7.770 1.00 8.63 H new ATOM 0 HB3 PRO A 31 -9.093 -7.382 6.264 1.00 8.63 H new ATOM 0 HG2 PRO A 31 -9.088 -9.180 8.305 1.00 9.60 H new ATOM 0 HG3 PRO A 31 -7.752 -9.036 7.179 1.00 9.60 H new ATOM 0 HD2 PRO A 31 -7.983 -7.928 9.983 1.00 9.77 H new ATOM 0 HD3 PRO A 31 -6.605 -8.690 9.215 1.00 9.77 H new ATOM 435 N ALA A 32 -8.399 -3.750 7.969 1.00 5.86 N ATOM 436 CA ALA A 32 -9.072 -2.574 8.494 1.00 4.75 C ATOM 437 C ALA A 32 -10.498 -2.504 7.968 1.00 3.89 C ATOM 438 O ALA A 32 -10.768 -2.928 6.842 1.00 3.98 O ATOM 439 CB ALA A 32 -8.302 -1.316 8.125 1.00 4.57 C ATOM 0 H ALA A 32 -7.655 -3.545 7.302 1.00 5.86 H new ATOM 0 HA ALA A 32 -9.109 -2.647 9.581 1.00 4.75 H new ATOM 0 HB1 ALA A 32 -8.818 -0.443 8.525 1.00 4.57 H new ATOM 0 HB2 ALA A 32 -7.298 -1.368 8.545 1.00 4.57 H new ATOM 0 HB3 ALA A 32 -8.238 -1.234 7.040 1.00 4.57 H new ATOM 445 N PRO A 33 -11.430 -1.970 8.773 1.00 3.62 N ATOM 446 CA PRO A 33 -12.842 -1.883 8.394 1.00 3.45 C ATOM 447 C PRO A 33 -13.121 -0.759 7.400 1.00 2.48 C ATOM 448 O PRO A 33 -14.256 -0.584 6.952 1.00 3.06 O ATOM 449 CB PRO A 33 -13.541 -1.607 9.726 1.00 4.15 C ATOM 450 CG PRO A 33 -12.528 -0.872 10.534 1.00 4.47 C ATOM 451 CD PRO A 33 -11.187 -1.422 10.126 1.00 4.26 C ATOM 0 HA PRO A 33 -13.184 -2.787 7.890 1.00 3.45 H new ATOM 0 HB2 PRO A 33 -14.443 -1.012 9.585 1.00 4.15 H new ATOM 0 HB3 PRO A 33 -13.843 -2.533 10.215 1.00 4.15 H new ATOM 0 HG2 PRO A 33 -12.583 0.200 10.345 1.00 4.47 H new ATOM 0 HG3 PRO A 33 -12.700 -1.017 11.600 1.00 4.47 H new ATOM 0 HD2 PRO A 33 -10.423 -0.645 10.112 1.00 4.26 H new ATOM 0 HD3 PRO A 33 -10.844 -2.194 10.815 1.00 4.26 H new ATOM 459 N GLU A 34 -12.086 -0.001 7.060 1.00 1.57 N ATOM 460 CA GLU A 34 -12.222 1.102 6.126 1.00 1.27 C ATOM 461 C GLU A 34 -11.147 1.013 5.048 1.00 1.08 C ATOM 462 O GLU A 34 -10.056 0.489 5.286 1.00 1.44 O ATOM 463 CB GLU A 34 -12.154 2.449 6.860 1.00 2.01 C ATOM 464 CG GLU A 34 -13.244 2.614 7.908 1.00 2.68 C ATOM 465 CD GLU A 34 -13.241 3.980 8.563 1.00 3.58 C ATOM 466 OE1 GLU A 34 -12.375 4.226 9.428 1.00 4.13 O ATOM 467 OE2 GLU A 34 -14.091 4.821 8.199 1.00 4.13 O ATOM 0 H GLU A 34 -11.141 -0.133 7.420 1.00 1.57 H new ATOM 0 HA GLU A 34 -13.198 1.034 5.646 1.00 1.27 H new ATOM 0 HB2 GLU A 34 -11.180 2.546 7.339 1.00 2.01 H new ATOM 0 HB3 GLU A 34 -12.233 3.257 6.132 1.00 2.01 H new ATOM 0 HG2 GLU A 34 -14.215 2.444 7.443 1.00 2.68 H new ATOM 0 HG3 GLU A 34 -13.120 1.850 8.675 1.00 2.68 H new ATOM 474 N GLU A 35 -11.467 1.523 3.869 1.00 1.01 N ATOM 475 CA GLU A 35 -10.593 1.411 2.709 1.00 0.87 C ATOM 476 C GLU A 35 -9.501 2.477 2.728 1.00 0.73 C ATOM 477 O GLU A 35 -9.782 3.658 2.935 1.00 0.89 O ATOM 478 CB GLU A 35 -11.425 1.546 1.432 1.00 1.09 C ATOM 479 CG GLU A 35 -12.522 0.503 1.304 1.00 1.72 C ATOM 480 CD GLU A 35 -11.985 -0.850 0.899 1.00 1.94 C ATOM 481 OE1 GLU A 35 -11.455 -1.577 1.763 1.00 2.36 O ATOM 482 OE2 GLU A 35 -12.074 -1.185 -0.300 1.00 2.45 O ATOM 0 H GLU A 35 -12.336 2.025 3.688 1.00 1.01 H new ATOM 0 HA GLU A 35 -10.109 0.435 2.738 1.00 0.87 H new ATOM 0 HB2 GLU A 35 -11.875 2.539 1.405 1.00 1.09 H new ATOM 0 HB3 GLU A 35 -10.764 1.473 0.569 1.00 1.09 H new ATOM 0 HG2 GLU A 35 -13.047 0.413 2.255 1.00 1.72 H new ATOM 0 HG3 GLU A 35 -13.253 0.836 0.567 1.00 1.72 H new ATOM 489 N TRP A 36 -8.255 2.054 2.521 1.00 0.53 N ATOM 490 CA TRP A 36 -7.135 2.991 2.445 1.00 0.45 C ATOM 491 C TRP A 36 -7.008 3.566 1.033 1.00 0.46 C ATOM 492 O TRP A 36 -7.882 3.382 0.184 1.00 0.52 O ATOM 493 CB TRP A 36 -5.798 2.319 2.798 1.00 0.38 C ATOM 494 CG TRP A 36 -5.856 1.257 3.848 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.776 1.101 4.841 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.909 0.200 4.007 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.470 -0.009 5.593 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.321 -0.572 5.101 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.749 -0.169 3.320 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.612 -1.692 5.523 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -3.058 -1.272 3.741 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.483 -2.023 4.828 1.00 0.19 C ATOM 0 H TRP A 36 -7.996 1.074 2.403 1.00 0.53 H new ATOM 0 HA TRP A 36 -7.345 3.781 3.166 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.383 1.882 1.890 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.102 3.090 3.128 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.620 1.752 5.012 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -7.009 -0.356 6.386 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.405 0.406 2.473 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.942 -2.278 6.368 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.161 -1.565 3.215 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.910 -2.887 5.131 1.00 0.19 H new ATOM 513 N LEU A 37 -5.895 4.247 0.790 1.00 0.43 N ATOM 514 CA LEU A 37 -5.593 4.796 -0.521 1.00 0.42 C ATOM 515 C LEU A 37 -4.963 3.729 -1.403 1.00 0.37 C ATOM 516 O LEU A 37 -3.869 3.242 -1.104 1.00 0.35 O ATOM 517 CB LEU A 37 -4.626 5.975 -0.377 1.00 0.45 C ATOM 518 CG LEU A 37 -4.238 6.675 -1.680 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.430 7.407 -2.268 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.081 7.637 -1.445 1.00 0.50 C ATOM 0 H LEU A 37 -5.181 4.432 1.494 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.520 5.138 -0.982 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.075 6.711 0.290 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.717 5.619 0.108 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.915 5.918 -2.394 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.134 7.899 -3.195 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.229 6.695 -2.474 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.785 8.154 -1.558 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.818 8.126 -2.383 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.376 8.389 -0.714 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.219 7.085 -1.070 1.00 0.50 H new ATOM 532 N ASP A 38 -5.646 3.345 -2.478 1.00 0.38 N ATOM 533 CA ASP A 38 -5.056 2.408 -3.421 1.00 0.41 C ATOM 534 C ASP A 38 -4.080 3.148 -4.314 1.00 0.39 C ATOM 535 O ASP A 38 -4.442 4.113 -4.988 1.00 0.44 O ATOM 536 CB ASP A 38 -6.099 1.671 -4.267 1.00 0.56 C ATOM 537 CG ASP A 38 -5.521 0.417 -4.899 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.934 0.506 -5.990 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.658 -0.672 -4.318 1.00 2.51 O ATOM 0 H ASP A 38 -6.587 3.661 -2.712 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.537 1.644 -2.843 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.952 1.405 -3.643 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.470 2.335 -5.048 1.00 0.56 H new ATOM 544 N ILE A 39 -2.842 2.692 -4.292 1.00 0.38 N ATOM 545 CA ILE A 39 -1.755 3.305 -5.033 1.00 0.38 C ATOM 546 C ILE A 39 -2.052 3.293 -6.524 1.00 0.39 C ATOM 547 O ILE A 39 -1.724 4.236 -7.248 1.00 0.46 O ATOM 548 CB ILE A 39 -0.432 2.556 -4.767 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.205 2.420 -3.256 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.734 3.260 -5.444 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.164 1.881 -2.884 1.00 0.43 C ATOM 0 H ILE A 39 -2.559 1.874 -3.752 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.657 4.337 -4.697 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.499 1.556 -5.195 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.339 3.396 -2.789 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.968 1.761 -2.842 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.655 2.714 -5.242 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.562 3.297 -6.520 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.821 4.275 -5.056 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.246 1.814 -1.799 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.296 0.890 -3.319 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.935 2.551 -3.266 1.00 0.43 H new ATOM 563 N LEU A 40 -2.695 2.227 -6.973 1.00 0.39 N ATOM 564 CA LEU A 40 -3.054 2.105 -8.373 1.00 0.49 C ATOM 565 C LEU A 40 -4.527 2.409 -8.574 1.00 0.49 C ATOM 566 O LEU A 40 -5.024 2.424 -9.701 1.00 0.62 O ATOM 567 CB LEU A 40 -2.713 0.717 -8.905 1.00 0.56 C ATOM 568 CG LEU A 40 -1.217 0.405 -8.979 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.993 -0.982 -9.540 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.487 1.439 -9.825 1.00 0.72 C ATOM 0 H LEU A 40 -2.977 1.439 -6.390 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.472 2.834 -8.937 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.194 -0.028 -8.270 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -3.141 0.611 -9.902 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.813 0.444 -7.967 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.076 -1.188 -9.586 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.477 -1.717 -8.897 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.417 -1.042 -10.542 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.575 1.195 -9.862 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.895 1.436 -10.836 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.617 2.427 -9.384 1.00 0.72 H new ATOM 582 N GLY A 41 -5.213 2.651 -7.467 1.00 0.43 N ATOM 583 CA GLY A 41 -6.642 2.884 -7.494 1.00 0.51 C ATOM 584 C GLY A 41 -7.392 1.699 -8.063 1.00 0.45 C ATOM 585 O GLY A 41 -8.467 1.850 -8.644 1.00 0.52 O ATOM 0 H GLY A 41 -4.797 2.690 -6.536 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.997 3.088 -6.484 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.855 3.770 -8.092 1.00 0.51 H new ATOM 589 N ASN A 42 -6.813 0.514 -7.906 1.00 0.39 N ATOM 590 CA ASN A 42 -7.394 -0.688 -8.489 1.00 0.42 C ATOM 591 C ASN A 42 -7.941 -1.665 -7.433 1.00 0.43 C ATOM 592 O ASN A 42 -8.810 -2.482 -7.742 1.00 0.56 O ATOM 593 CB ASN A 42 -6.404 -1.372 -9.446 1.00 0.49 C ATOM 594 CG ASN A 42 -5.203 -2.052 -8.801 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.697 -3.038 -9.337 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.720 -1.550 -7.671 1.00 0.44 N ATOM 0 H ASN A 42 -5.950 0.361 -7.385 1.00 0.39 H new ATOM 0 HA ASN A 42 -8.258 -0.368 -9.072 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.948 -2.117 -10.026 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -6.037 -0.625 -10.150 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.910 -1.982 -7.226 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.158 -0.732 -7.248 1.00 0.44 H new ATOM 603 N GLY A 43 -7.447 -1.595 -6.202 1.00 0.40 N ATOM 604 CA GLY A 43 -8.101 -2.312 -5.113 1.00 0.50 C ATOM 605 C GLY A 43 -7.322 -3.509 -4.593 1.00 0.45 C ATOM 606 O GLY A 43 -7.916 -4.484 -4.131 1.00 0.72 O ATOM 0 H GLY A 43 -6.618 -1.064 -5.936 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.272 -1.619 -4.289 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -9.080 -2.651 -5.453 1.00 0.50 H new ATOM 610 N LEU A 44 -6.002 -3.442 -4.661 1.00 0.29 N ATOM 611 CA LEU A 44 -5.154 -4.495 -4.100 1.00 0.36 C ATOM 612 C LEU A 44 -3.802 -3.931 -3.672 1.00 0.25 C ATOM 613 O LEU A 44 -3.000 -4.622 -3.056 1.00 0.27 O ATOM 614 CB LEU A 44 -4.965 -5.703 -5.061 1.00 0.60 C ATOM 615 CG LEU A 44 -4.704 -5.427 -6.554 1.00 0.51 C ATOM 616 CD1 LEU A 44 -5.980 -5.013 -7.262 1.00 1.46 C ATOM 617 CD2 LEU A 44 -3.627 -4.377 -6.746 1.00 1.56 C ATOM 0 H LEU A 44 -5.491 -2.674 -5.097 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.676 -4.875 -3.222 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.133 -6.298 -4.684 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -5.858 -6.324 -4.991 1.00 0.60 H new ATOM 0 HG LEU A 44 -4.349 -6.357 -6.998 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -5.767 -4.824 -8.314 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -6.718 -5.811 -7.178 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.373 -4.106 -6.803 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -3.469 -4.208 -7.811 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -3.938 -3.446 -6.273 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -2.698 -4.722 -6.292 1.00 1.56 H new ATOM 629 N LEU A 45 -3.552 -2.684 -4.041 1.00 0.23 N ATOM 630 CA LEU A 45 -2.333 -1.987 -3.661 1.00 0.22 C ATOM 631 C LEU A 45 -2.675 -0.749 -2.844 1.00 0.22 C ATOM 632 O LEU A 45 -3.005 0.277 -3.410 1.00 0.32 O ATOM 633 CB LEU A 45 -1.581 -1.553 -4.923 1.00 0.30 C ATOM 634 CG LEU A 45 -0.170 -1.026 -4.692 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.488 -1.761 -3.534 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.649 -1.190 -5.958 1.00 0.31 C ATOM 0 H LEU A 45 -4.188 -2.127 -4.612 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.713 -2.657 -3.066 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.527 -2.403 -5.604 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -2.162 -0.779 -5.424 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.223 0.033 -4.438 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.495 -1.373 -3.382 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.099 -1.612 -2.628 1.00 0.28 H new ATOM 0 HD13 LEU A 45 0.540 -2.826 -3.761 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.658 -0.812 -5.790 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.697 -2.245 -6.226 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.182 -0.630 -6.768 1.00 0.31 H new ATOM 648 N ARG A 46 -2.576 -0.815 -1.526 1.00 0.20 N ATOM 649 CA ARG A 46 -3.073 0.286 -0.698 1.00 0.22 C ATOM 650 C ARG A 46 -2.136 0.597 0.464 1.00 0.19 C ATOM 651 O ARG A 46 -1.665 -0.310 1.140 1.00 0.19 O ATOM 652 CB ARG A 46 -4.462 -0.065 -0.170 1.00 0.25 C ATOM 653 CG ARG A 46 -5.393 -0.563 -1.261 1.00 0.36 C ATOM 654 CD ARG A 46 -6.786 -0.839 -0.743 1.00 0.37 C ATOM 655 NE ARG A 46 -6.775 -1.753 0.402 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.874 -2.077 1.088 1.00 0.75 C ATOM 657 NH1 ARG A 46 -9.051 -1.648 0.666 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.808 -2.840 2.171 1.00 0.99 N ATOM 0 H ARG A 46 -2.168 -1.595 -1.011 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.124 1.179 -1.321 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.371 -0.830 0.602 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.900 0.814 0.303 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.444 0.178 -2.058 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.983 -1.473 -1.698 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.257 0.100 -0.453 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.392 -1.266 -1.542 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.885 -2.161 0.689 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.113 -1.076 -0.176 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.897 -1.890 1.182 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.906 -3.191 2.494 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.659 -3.076 2.681 1.00 0.99 H new ATOM 672 N LYS A 47 -1.903 1.886 0.703 1.00 0.20 N ATOM 673 CA LYS A 47 -0.989 2.336 1.747 1.00 0.17 C ATOM 674 C LYS A 47 -1.764 3.045 2.866 1.00 0.18 C ATOM 675 O LYS A 47 -2.501 3.996 2.602 1.00 0.22 O ATOM 676 CB LYS A 47 0.033 3.309 1.141 1.00 0.23 C ATOM 677 CG LYS A 47 1.309 3.450 1.953 1.00 0.25 C ATOM 678 CD LYS A 47 2.024 4.765 1.683 1.00 0.32 C ATOM 679 CE LYS A 47 1.361 5.914 2.442 1.00 0.20 C ATOM 680 NZ LYS A 47 2.321 6.987 2.839 1.00 0.35 N ATOM 0 H LYS A 47 -2.341 2.644 0.180 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.476 1.470 2.166 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.289 2.972 0.137 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.431 4.290 1.039 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.071 3.380 3.014 1.00 0.25 H new ATOM 0 HG3 LYS A 47 1.978 2.621 1.721 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.069 4.683 1.981 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.013 4.976 0.614 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.578 6.348 1.820 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.877 5.520 3.335 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.794 7.816 3.180 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.941 6.635 3.597 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.898 7.258 2.017 1.00 0.35 H new ATOM 694 N LYS A 48 -1.607 2.580 4.105 1.00 0.16 N ATOM 695 CA LYS A 48 -2.246 3.221 5.253 1.00 0.18 C ATOM 696 C LYS A 48 -1.200 3.848 6.165 1.00 0.17 C ATOM 697 O LYS A 48 -0.352 3.153 6.725 1.00 0.22 O ATOM 698 CB LYS A 48 -3.097 2.217 6.044 1.00 0.25 C ATOM 699 CG LYS A 48 -3.776 2.827 7.264 1.00 0.32 C ATOM 700 CD LYS A 48 -4.879 1.926 7.821 1.00 0.69 C ATOM 701 CE LYS A 48 -4.340 0.674 8.505 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.659 0.985 9.791 1.00 1.07 N ATOM 0 H LYS A 48 -1.043 1.763 4.339 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.902 4.005 4.874 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.858 1.799 5.385 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.464 1.390 6.365 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.032 3.009 8.039 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.200 3.795 6.996 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.478 2.493 8.534 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.544 1.632 7.009 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -5.161 -0.019 8.689 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.640 0.170 7.838 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -2.712 0.555 9.795 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -3.571 2.016 9.897 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.217 0.602 10.581 1.00 1.07 H new ATOM 716 N THR A 49 -1.262 5.161 6.311 1.00 0.18 N ATOM 717 CA THR A 49 -0.333 5.878 7.167 1.00 0.20 C ATOM 718 C THR A 49 -0.648 5.649 8.638 1.00 0.21 C ATOM 719 O THR A 49 -1.641 6.162 9.156 1.00 0.29 O ATOM 720 CB THR A 49 -0.357 7.393 6.879 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.709 7.874 6.885 1.00 0.33 O ATOM 722 CG2 THR A 49 0.291 7.705 5.541 1.00 0.25 C ATOM 0 H THR A 49 -1.949 5.754 5.845 1.00 0.18 H new ATOM 0 HA THR A 49 0.661 5.488 6.947 1.00 0.20 H new ATOM 0 HB THR A 49 0.211 7.895 7.663 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.210 7.434 7.604 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.260 8.780 5.364 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.328 7.369 5.552 1.00 0.25 H new ATOM 0 HG23 THR A 49 -0.249 7.191 4.746 1.00 0.25 H new ATOM 730 N LEU A 50 0.182 4.853 9.297 1.00 0.18 N ATOM 731 CA LEU A 50 0.111 4.719 10.743 1.00 0.21 C ATOM 732 C LEU A 50 0.559 6.043 11.328 1.00 0.23 C ATOM 733 O LEU A 50 -0.113 6.663 12.149 1.00 0.28 O ATOM 734 CB LEU A 50 1.044 3.607 11.225 1.00 0.21 C ATOM 735 CG LEU A 50 1.034 2.333 10.380 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.203 1.446 10.763 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.278 1.594 10.548 1.00 0.24 C ATOM 0 H LEU A 50 0.910 4.292 8.854 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.902 4.465 11.054 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.062 3.996 11.254 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.774 3.347 12.248 1.00 0.21 H new ATOM 0 HG LEU A 50 1.136 2.607 9.330 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.187 0.541 10.156 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.137 1.981 10.592 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.126 1.177 11.817 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.267 0.690 9.939 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.412 1.324 11.596 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.100 2.235 10.230 1.00 0.24 H new ATOM 749 N VAL A 51 1.721 6.451 10.857 1.00 0.23 N ATOM 750 CA VAL A 51 2.250 7.780 11.062 1.00 0.27 C ATOM 751 C VAL A 51 2.696 8.265 9.707 1.00 0.24 C ATOM 752 O VAL A 51 3.261 7.478 8.963 1.00 0.23 O ATOM 753 CB VAL A 51 3.462 7.765 12.009 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.046 9.158 12.186 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.086 7.164 13.350 1.00 0.36 C ATOM 0 H VAL A 51 2.336 5.851 10.308 1.00 0.23 H new ATOM 0 HA VAL A 51 1.492 8.422 11.511 1.00 0.27 H new ATOM 0 HB VAL A 51 4.231 7.140 11.555 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.901 9.111 12.861 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.368 9.543 11.219 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.288 9.820 12.606 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.957 7.163 14.005 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.291 7.756 13.804 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.739 6.141 13.206 1.00 0.36 H new ATOM 765 N PRO A 52 2.394 9.504 9.325 1.00 0.29 N ATOM 766 CA PRO A 52 2.789 10.052 8.042 1.00 0.32 C ATOM 767 C PRO A 52 3.886 11.116 8.135 1.00 0.34 C ATOM 768 O PRO A 52 3.735 12.227 7.626 1.00 0.54 O ATOM 769 CB PRO A 52 1.464 10.649 7.616 1.00 0.41 C ATOM 770 CG PRO A 52 0.852 11.173 8.893 1.00 0.46 C ATOM 771 CD PRO A 52 1.545 10.458 10.034 1.00 0.37 C ATOM 0 HA PRO A 52 3.230 9.324 7.362 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.605 11.448 6.888 1.00 0.41 H new ATOM 0 HB3 PRO A 52 0.824 9.901 7.148 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.988 12.252 8.973 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.221 10.985 8.913 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.128 11.143 10.650 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.835 9.960 10.694 1.00 0.37 H new ATOM 779 N GLY A 53 4.992 10.754 8.779 1.00 0.24 N ATOM 780 CA GLY A 53 6.145 11.623 8.844 1.00 0.28 C ATOM 781 C GLY A 53 6.012 12.717 9.878 1.00 0.29 C ATOM 782 O GLY A 53 4.905 13.050 10.304 1.00 0.55 O ATOM 0 H GLY A 53 5.106 9.862 9.261 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.029 11.026 9.069 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.306 12.075 7.865 1.00 0.28 H new ATOM 786 N PRO A 54 7.141 13.271 10.334 1.00 0.52 N ATOM 787 CA PRO A 54 7.146 14.461 11.174 1.00 0.67 C ATOM 788 C PRO A 54 6.653 15.663 10.376 1.00 0.78 C ATOM 789 O PRO A 54 6.628 15.621 9.146 1.00 1.20 O ATOM 790 CB PRO A 54 8.623 14.636 11.564 1.00 1.03 C ATOM 791 CG PRO A 54 9.275 13.337 11.223 1.00 1.42 C ATOM 792 CD PRO A 54 8.496 12.776 10.072 1.00 0.91 C ATOM 0 HA PRO A 54 6.495 14.373 12.044 1.00 0.67 H new ATOM 0 HB2 PRO A 54 9.079 15.461 11.017 1.00 1.03 H new ATOM 0 HB3 PRO A 54 8.726 14.861 12.625 1.00 1.03 H new ATOM 0 HG2 PRO A 54 10.321 13.484 10.952 1.00 1.42 H new ATOM 0 HG3 PRO A 54 9.259 12.656 12.074 1.00 1.42 H new ATOM 0 HD2 PRO A 54 8.878 13.128 9.114 1.00 0.91 H new ATOM 0 HD3 PRO A 54 8.533 11.687 10.050 1.00 0.91 H new ATOM 800 N PRO A 55 6.263 16.755 11.049 1.00 0.97 N ATOM 801 CA PRO A 55 5.781 17.968 10.376 1.00 1.24 C ATOM 802 C PRO A 55 6.804 18.557 9.402 1.00 0.93 C ATOM 803 O PRO A 55 6.481 19.443 8.610 1.00 1.20 O ATOM 804 CB PRO A 55 5.515 18.936 11.531 1.00 1.81 C ATOM 805 CG PRO A 55 5.324 18.061 12.722 1.00 2.04 C ATOM 806 CD PRO A 55 6.235 16.889 12.515 1.00 1.47 C ATOM 0 HA PRO A 55 4.904 17.764 9.762 1.00 1.24 H new ATOM 0 HB2 PRO A 55 6.350 19.622 11.673 1.00 1.81 H new ATOM 0 HB3 PRO A 55 4.631 19.545 11.341 1.00 1.81 H new ATOM 0 HG2 PRO A 55 5.572 18.592 13.641 1.00 2.04 H new ATOM 0 HG3 PRO A 55 4.286 17.739 12.809 1.00 2.04 H new ATOM 0 HD2 PRO A 55 7.229 17.072 12.924 1.00 1.47 H new ATOM 0 HD3 PRO A 55 5.853 15.989 12.997 1.00 1.47 H new ATOM 814 N GLY A 56 8.034 18.060 9.467 1.00 0.98 N ATOM 815 CA GLY A 56 9.061 18.479 8.538 1.00 0.82 C ATOM 816 C GLY A 56 9.714 17.301 7.844 1.00 0.64 C ATOM 817 O GLY A 56 10.936 17.150 7.877 1.00 0.69 O ATOM 0 H GLY A 56 8.338 17.369 10.153 1.00 0.98 H new ATOM 0 HA2 GLY A 56 8.625 19.143 7.792 1.00 0.82 H new ATOM 0 HA3 GLY A 56 9.820 19.052 9.071 1.00 0.82 H new ATOM 821 N SER A 57 8.898 16.451 7.234 1.00 0.52 N ATOM 822 CA SER A 57 9.380 15.300 6.512 1.00 0.40 C ATOM 823 C SER A 57 9.764 15.660 5.083 1.00 0.34 C ATOM 824 O SER A 57 9.776 16.831 4.694 1.00 0.43 O ATOM 825 CB SER A 57 8.281 14.246 6.493 1.00 0.40 C ATOM 826 OG SER A 57 7.036 14.837 6.160 1.00 0.99 O ATOM 0 H SER A 57 7.883 16.548 7.231 1.00 0.52 H new ATOM 0 HA SER A 57 10.271 14.920 7.011 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.527 13.468 5.770 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.213 13.764 7.469 1.00 0.40 H new ATOM 0 HG SER A 57 6.723 14.479 5.303 1.00 0.99 H new ATOM 832 N SER A 58 10.063 14.632 4.311 1.00 0.28 N ATOM 833 CA SER A 58 10.410 14.769 2.913 1.00 0.30 C ATOM 834 C SER A 58 10.179 13.427 2.240 1.00 0.27 C ATOM 835 O SER A 58 10.602 12.398 2.758 1.00 0.38 O ATOM 836 CB SER A 58 11.876 15.194 2.765 1.00 0.38 C ATOM 837 OG SER A 58 12.197 15.490 1.416 1.00 1.28 O ATOM 0 H SER A 58 10.071 13.668 4.643 1.00 0.28 H new ATOM 0 HA SER A 58 9.793 15.536 2.446 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.067 16.069 3.386 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.525 14.398 3.128 1.00 0.38 H new ATOM 0 HG SER A 58 13.137 15.759 1.355 1.00 1.28 H new ATOM 843 N ARG A 59 9.480 13.424 1.121 1.00 0.32 N ATOM 844 CA ARG A 59 9.211 12.183 0.411 1.00 0.30 C ATOM 845 C ARG A 59 10.310 11.907 -0.606 1.00 0.27 C ATOM 846 O ARG A 59 10.478 12.661 -1.570 1.00 0.34 O ATOM 847 CB ARG A 59 7.850 12.245 -0.277 1.00 0.42 C ATOM 848 CG ARG A 59 6.726 12.626 0.668 1.00 0.64 C ATOM 849 CD ARG A 59 5.377 12.654 -0.033 1.00 0.68 C ATOM 850 NE ARG A 59 4.291 12.986 0.897 1.00 1.41 N ATOM 851 CZ ARG A 59 3.135 13.552 0.542 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.883 13.797 -0.738 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.219 13.846 1.468 1.00 2.81 N ATOM 0 H ARG A 59 9.090 14.259 0.685 1.00 0.32 H new ATOM 0 HA ARG A 59 9.194 11.367 1.133 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.893 12.968 -1.092 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.630 11.275 -0.723 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.691 11.916 1.494 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.931 13.606 1.099 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.401 13.385 -0.841 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.183 11.683 -0.488 1.00 0.68 H new ATOM 0 HE ARG A 59 4.429 12.769 1.884 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.572 13.553 -1.449 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.000 14.229 -1.010 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.401 13.638 2.450 1.00 2.81 H new ATOM 0 HH22 ARG A 59 1.337 14.278 1.194 1.00 2.81 H new ATOM 867 N PRO A 60 11.099 10.841 -0.370 1.00 0.23 N ATOM 868 CA PRO A 60 12.220 10.444 -1.236 1.00 0.26 C ATOM 869 C PRO A 60 11.879 10.415 -2.727 1.00 0.26 C ATOM 870 O PRO A 60 10.732 10.196 -3.124 1.00 0.28 O ATOM 871 CB PRO A 60 12.568 9.027 -0.754 1.00 0.30 C ATOM 872 CG PRO A 60 11.484 8.648 0.199 1.00 0.28 C ATOM 873 CD PRO A 60 10.988 9.935 0.779 1.00 0.21 C ATOM 0 HA PRO A 60 13.034 11.165 -1.158 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.616 8.330 -1.590 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.543 9.007 -0.266 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.683 8.114 -0.312 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.862 7.987 0.979 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.962 9.854 1.139 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.596 10.266 1.621 1.00 0.21 H new ATOM 881 N VAL A 61 12.902 10.619 -3.544 1.00 0.29 N ATOM 882 CA VAL A 61 12.749 10.632 -4.991 1.00 0.31 C ATOM 883 C VAL A 61 13.246 9.317 -5.573 1.00 0.28 C ATOM 884 O VAL A 61 14.121 8.669 -4.995 1.00 0.27 O ATOM 885 CB VAL A 61 13.543 11.794 -5.630 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.158 11.990 -7.088 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.344 13.078 -4.842 1.00 0.88 C ATOM 0 H VAL A 61 13.857 10.779 -3.224 1.00 0.29 H new ATOM 0 HA VAL A 61 11.691 10.768 -5.213 1.00 0.31 H new ATOM 0 HB VAL A 61 14.601 11.532 -5.598 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.734 12.814 -7.509 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.369 11.078 -7.646 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.094 12.219 -7.156 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.912 13.883 -5.309 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.286 13.338 -4.832 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.692 12.935 -3.819 1.00 0.88 H new ATOM 897 N LYS A 62 12.685 8.918 -6.704 1.00 0.27 N ATOM 898 CA LYS A 62 13.121 7.707 -7.379 1.00 0.27 C ATOM 899 C LYS A 62 14.552 7.840 -7.849 1.00 0.25 C ATOM 900 O LYS A 62 14.870 8.596 -8.768 1.00 0.31 O ATOM 901 CB LYS A 62 12.178 7.320 -8.513 1.00 0.30 C ATOM 902 CG LYS A 62 10.873 6.744 -7.996 1.00 0.37 C ATOM 903 CD LYS A 62 10.197 5.873 -9.031 1.00 0.41 C ATOM 904 CE LYS A 62 9.122 5.013 -8.388 1.00 0.60 C ATOM 905 NZ LYS A 62 8.663 3.921 -9.281 1.00 1.17 N ATOM 0 H LYS A 62 11.928 9.415 -7.173 1.00 0.27 H new ATOM 0 HA LYS A 62 13.087 6.891 -6.657 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.970 8.197 -9.126 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.667 6.589 -9.157 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.065 6.159 -7.097 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.204 7.556 -7.711 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.754 6.498 -9.807 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.936 5.237 -9.517 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.508 4.584 -7.463 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.272 5.640 -8.118 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.665 4.073 -9.530 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 9.239 3.916 -10.147 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.763 3.008 -8.793 1.00 1.17 H new ATOM 919 N GLY A 63 15.407 7.104 -7.165 1.00 0.25 N ATOM 920 CA GLY A 63 16.821 7.177 -7.384 1.00 0.27 C ATOM 921 C GLY A 63 17.552 7.128 -6.069 1.00 0.30 C ATOM 922 O GLY A 63 18.658 6.598 -5.972 1.00 0.42 O ATOM 0 H GLY A 63 15.130 6.440 -6.442 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.142 6.350 -8.018 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.068 8.098 -7.912 1.00 0.27 H new ATOM 926 N GLN A 64 16.920 7.663 -5.034 1.00 0.26 N ATOM 927 CA GLN A 64 17.545 7.688 -3.724 1.00 0.28 C ATOM 928 C GLN A 64 17.573 6.287 -3.138 1.00 0.24 C ATOM 929 O GLN A 64 16.624 5.514 -3.285 1.00 0.24 O ATOM 930 CB GLN A 64 16.822 8.633 -2.757 1.00 0.30 C ATOM 931 CG GLN A 64 16.298 9.940 -3.358 1.00 0.36 C ATOM 932 CD GLN A 64 17.331 10.823 -4.057 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.290 10.240 -4.751 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.223 12.049 -4.012 1.00 0.43 N flip ATOM 0 H GLN A 64 15.990 8.079 -5.076 1.00 0.26 H new ATOM 0 HA GLN A 64 18.561 8.060 -3.855 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.981 8.096 -2.317 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.504 8.879 -1.943 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.514 9.697 -4.075 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.833 10.521 -2.562 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.473 12.475 -3.468 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.884 12.638 -4.519 1.00 0.43 H new ATOM 943 N VAL A 65 18.672 5.964 -2.493 1.00 0.28 N ATOM 944 CA VAL A 65 18.802 4.709 -1.790 1.00 0.31 C ATOM 945 C VAL A 65 18.203 4.867 -0.400 1.00 0.25 C ATOM 946 O VAL A 65 18.632 5.719 0.377 1.00 0.32 O ATOM 947 CB VAL A 65 20.280 4.269 -1.710 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.453 3.071 -0.801 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.807 3.941 -3.096 1.00 1.05 C ATOM 0 H VAL A 65 19.497 6.562 -2.442 1.00 0.28 H new ATOM 0 HA VAL A 65 18.266 3.930 -2.332 1.00 0.31 H new ATOM 0 HB VAL A 65 20.850 5.099 -1.292 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.505 2.788 -0.768 1.00 1.22 H new ATOM 0 HG12 VAL A 65 20.114 3.324 0.203 1.00 1.22 H new ATOM 0 HG13 VAL A 65 19.865 2.237 -1.183 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.850 3.632 -3.025 1.00 1.05 H new ATOM 0 HG22 VAL A 65 20.218 3.132 -3.527 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.732 4.823 -3.732 1.00 1.05 H new ATOM 959 N VAL A 66 17.191 4.076 -0.103 1.00 0.19 N ATOM 960 CA VAL A 66 16.410 4.268 1.108 1.00 0.15 C ATOM 961 C VAL A 66 16.366 3.014 1.965 1.00 0.16 C ATOM 962 O VAL A 66 16.410 1.898 1.449 1.00 0.21 O ATOM 963 CB VAL A 66 14.965 4.708 0.782 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.953 6.041 0.053 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.249 3.662 -0.052 1.00 0.25 C ATOM 0 H VAL A 66 16.888 3.293 -0.683 1.00 0.19 H new ATOM 0 HA VAL A 66 16.910 5.056 1.671 1.00 0.15 H new ATOM 0 HB VAL A 66 14.438 4.820 1.729 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.924 6.327 -0.165 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.417 6.803 0.680 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.509 5.951 -0.880 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.235 3.999 -0.266 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.787 3.513 -0.988 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.211 2.722 0.498 1.00 0.25 H new ATOM 975 N THR A 67 16.295 3.209 3.274 1.00 0.13 N ATOM 976 CA THR A 67 16.147 2.106 4.207 1.00 0.15 C ATOM 977 C THR A 67 14.711 2.008 4.686 1.00 0.16 C ATOM 978 O THR A 67 14.187 2.927 5.330 1.00 0.21 O ATOM 979 CB THR A 67 17.047 2.266 5.445 1.00 0.20 C ATOM 980 OG1 THR A 67 16.862 3.561 6.024 1.00 0.29 O ATOM 981 CG2 THR A 67 18.509 2.073 5.110 1.00 0.27 C ATOM 0 H THR A 67 16.338 4.128 3.714 1.00 0.13 H new ATOM 0 HA THR A 67 16.440 1.205 3.668 1.00 0.15 H new ATOM 0 HB THR A 67 16.757 1.494 6.157 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.917 3.814 5.965 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.108 2.195 6.012 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.661 1.072 4.706 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.813 2.813 4.370 1.00 0.27 H new ATOM 989 N VAL A 68 14.066 0.909 4.367 1.00 0.15 N ATOM 990 CA VAL A 68 12.761 0.642 4.915 1.00 0.15 C ATOM 991 C VAL A 68 12.831 -0.522 5.878 1.00 0.15 C ATOM 992 O VAL A 68 13.606 -1.451 5.692 1.00 0.17 O ATOM 993 CB VAL A 68 11.690 0.351 3.839 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.381 1.600 3.036 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.135 -0.771 2.919 1.00 0.19 C ATOM 0 H VAL A 68 14.423 0.192 3.735 1.00 0.15 H new ATOM 0 HA VAL A 68 12.456 1.551 5.433 1.00 0.15 H new ATOM 0 HB VAL A 68 10.781 0.034 4.350 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.625 1.372 2.285 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.008 2.378 3.702 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.288 1.949 2.543 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.364 -0.956 2.171 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.062 -0.487 2.421 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.299 -1.677 3.503 1.00 0.19 H new ATOM 1005 N HIS A 69 12.041 -0.459 6.917 1.00 0.14 N ATOM 1006 CA HIS A 69 11.858 -1.606 7.770 1.00 0.15 C ATOM 1007 C HIS A 69 10.530 -2.216 7.405 1.00 0.14 C ATOM 1008 O HIS A 69 9.506 -1.563 7.525 1.00 0.15 O ATOM 1009 CB HIS A 69 11.863 -1.228 9.262 1.00 0.15 C ATOM 1010 CG HIS A 69 11.570 -2.400 10.173 1.00 0.15 C ATOM 1011 ND1 HIS A 69 11.815 -2.418 11.529 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.042 -3.609 9.889 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.435 -3.591 12.020 1.00 0.18 C ATOM 1014 NE2 HIS A 69 10.973 -4.326 11.044 1.00 0.18 N ATOM 0 H HIS A 69 11.515 0.370 7.193 1.00 0.14 H new ATOM 0 HA HIS A 69 12.682 -2.304 7.622 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.835 -0.809 9.521 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.123 -0.447 9.435 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.222 -1.654 12.068 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.728 -3.949 8.913 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.497 -3.889 13.056 1.00 0.18 H new ATOM 1023 N LEU A 70 10.535 -3.461 6.983 1.00 0.15 N ATOM 1024 CA LEU A 70 9.292 -4.096 6.643 1.00 0.16 C ATOM 1025 C LEU A 70 9.129 -5.386 7.414 1.00 0.15 C ATOM 1026 O LEU A 70 10.065 -6.162 7.584 1.00 0.21 O ATOM 1027 CB LEU A 70 9.154 -4.342 5.134 1.00 0.21 C ATOM 1028 CG LEU A 70 9.592 -5.716 4.638 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.129 -5.930 3.205 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.102 -5.878 4.728 1.00 0.38 C ATOM 0 H LEU A 70 11.368 -4.039 6.870 1.00 0.15 H new ATOM 0 HA LEU A 70 8.492 -3.411 6.926 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.111 -4.193 4.856 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.736 -3.585 4.608 1.00 0.21 H new ATOM 0 HG LEU A 70 9.131 -6.467 5.279 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.448 -6.914 2.863 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.042 -5.865 3.160 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.565 -5.164 2.564 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.384 -6.867 4.368 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.587 -5.117 4.116 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.419 -5.766 5.765 1.00 0.38 H new ATOM 1042 N GLN A 71 7.951 -5.561 7.934 1.00 0.13 N ATOM 1043 CA GLN A 71 7.544 -6.821 8.505 1.00 0.14 C ATOM 1044 C GLN A 71 6.254 -7.167 7.851 1.00 0.14 C ATOM 1045 O GLN A 71 5.249 -6.467 8.004 1.00 0.14 O ATOM 1046 CB GLN A 71 7.339 -6.763 10.005 1.00 0.15 C ATOM 1047 CG GLN A 71 8.168 -5.726 10.745 1.00 0.15 C ATOM 1048 CD GLN A 71 7.625 -4.329 10.593 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.403 -4.228 10.140 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.324 -3.346 10.811 1.00 0.18 N flip ATOM 0 H GLN A 71 7.238 -4.833 7.977 1.00 0.13 H new ATOM 0 HA GLN A 71 8.328 -7.560 8.337 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.285 -6.566 10.202 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.563 -7.745 10.422 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.204 -5.984 11.803 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.193 -5.755 10.375 1.00 0.15 H new ATOM 0 HE21 GLN A 71 9.274 -3.464 11.165 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.956 -2.410 10.639 1.00 0.18 H new ATOM 1059 N THR A 72 6.296 -8.224 7.118 1.00 0.15 N ATOM 1060 CA THR A 72 5.259 -8.522 6.197 1.00 0.16 C ATOM 1061 C THR A 72 4.458 -9.721 6.635 1.00 0.16 C ATOM 1062 O THR A 72 4.996 -10.811 6.828 1.00 0.17 O ATOM 1063 CB THR A 72 5.877 -8.776 4.838 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.769 -7.705 4.507 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.804 -8.897 3.796 1.00 0.19 C ATOM 0 H THR A 72 7.053 -8.907 7.141 1.00 0.15 H new ATOM 0 HA THR A 72 4.575 -7.674 6.149 1.00 0.16 H new ATOM 0 HB THR A 72 6.437 -9.710 4.869 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.169 -7.872 3.628 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.260 -9.079 2.823 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.144 -9.727 4.048 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.227 -7.973 3.759 1.00 0.19 H new ATOM 1073 N SER A 73 3.171 -9.511 6.788 1.00 0.17 N ATOM 1074 CA SER A 73 2.276 -10.556 7.193 1.00 0.17 C ATOM 1075 C SER A 73 1.479 -11.014 5.986 1.00 0.15 C ATOM 1076 O SER A 73 1.537 -10.402 4.916 1.00 0.26 O ATOM 1077 CB SER A 73 1.338 -10.040 8.285 1.00 0.23 C ATOM 1078 OG SER A 73 1.969 -9.034 9.063 1.00 1.06 O ATOM 0 H SER A 73 2.721 -8.609 6.634 1.00 0.17 H new ATOM 0 HA SER A 73 2.842 -11.397 7.593 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.432 -9.639 7.831 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.034 -10.866 8.929 1.00 0.23 H new ATOM 0 HG SER A 73 1.306 -8.607 9.645 1.00 1.06 H new ATOM 1084 N LEU A 74 0.750 -12.086 6.165 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.063 -12.646 5.115 1.00 0.18 C ATOM 1086 C LEU A 74 -1.492 -12.177 5.264 1.00 0.19 C ATOM 1087 O LEU A 74 -1.850 -11.603 6.291 1.00 0.21 O ATOM 1088 CB LEU A 74 0.003 -14.172 5.151 1.00 0.22 C ATOM 1089 CG LEU A 74 1.318 -14.773 4.666 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.133 -16.245 4.328 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.843 -13.990 3.473 1.00 0.72 C ATOM 0 H LEU A 74 0.703 -12.597 7.046 1.00 0.19 H new ATOM 0 HA LEU A 74 0.320 -12.307 4.152 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.175 -14.504 6.174 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.808 -14.570 4.541 1.00 0.22 H new ATOM 0 HG LEU A 74 2.058 -14.705 5.464 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.080 -16.661 3.983 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.802 -16.783 5.216 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.384 -16.347 3.542 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.782 -14.428 3.135 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.114 -14.027 2.664 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.010 -12.953 3.764 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.297 -12.398 4.236 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.711 -12.062 4.284 1.00 0.26 C ATOM 1105 C GLU A 75 -4.407 -12.755 5.462 1.00 0.32 C ATOM 1106 O GLU A 75 -5.498 -12.356 5.863 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.400 -12.429 2.968 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.158 -13.857 2.516 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.879 -14.179 1.225 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.487 -13.641 0.170 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.849 -14.960 1.264 1.00 1.14 O ATOM 0 H GLU A 75 -1.993 -12.811 3.354 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.791 -10.985 4.430 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.473 -12.271 3.076 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.055 -11.750 2.189 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.088 -14.017 2.382 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.488 -14.544 3.295 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.775 -13.794 6.018 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.338 -14.489 7.173 1.00 0.41 C ATOM 1120 C ASN A 76 -3.698 -13.995 8.474 1.00 0.39 C ATOM 1121 O ASN A 76 -4.210 -14.252 9.562 1.00 0.51 O ATOM 1122 CB ASN A 76 -4.176 -16.014 7.047 1.00 0.50 C ATOM 1123 CG ASN A 76 -2.860 -16.536 7.597 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -2.745 -16.810 8.789 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -1.870 -16.706 6.736 1.00 1.13 N ATOM 0 H ASN A 76 -2.884 -14.166 5.690 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.404 -14.263 7.200 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -4.998 -16.502 7.571 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.257 -16.293 5.997 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -0.975 -17.076 7.055 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.002 -16.467 5.753 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.577 -13.286 8.351 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.900 -12.757 9.528 1.00 0.32 C ATOM 1134 C GLY A 77 -0.461 -13.234 9.671 1.00 0.32 C ATOM 1135 O GLY A 77 0.349 -12.585 10.332 1.00 0.51 O ATOM 0 H GLY A 77 -2.126 -13.068 7.462 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.910 -11.668 9.483 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.459 -13.045 10.418 1.00 0.32 H new ATOM 1139 N THR A 78 -0.138 -14.355 9.043 1.00 0.28 N ATOM 1140 CA THR A 78 1.186 -14.963 9.171 1.00 0.28 C ATOM 1141 C THR A 78 2.289 -14.064 8.623 1.00 0.23 C ATOM 1142 O THR A 78 2.366 -13.831 7.422 1.00 0.21 O ATOM 1143 CB THR A 78 1.240 -16.311 8.436 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.145 -17.133 8.848 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.551 -17.034 8.703 1.00 0.39 C ATOM 0 H THR A 78 -0.777 -14.868 8.435 1.00 0.28 H new ATOM 0 HA THR A 78 1.355 -15.110 10.238 1.00 0.28 H new ATOM 0 HB THR A 78 1.171 -16.115 7.366 1.00 0.34 H new ATOM 0 HG1 THR A 78 0.183 -17.990 8.375 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.558 -17.984 8.169 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.382 -16.419 8.359 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.654 -17.218 9.772 1.00 0.39 H new ATOM 1153 N ARG A 79 3.137 -13.561 9.508 1.00 0.24 N ATOM 1154 CA ARG A 79 4.284 -12.773 9.087 1.00 0.22 C ATOM 1155 C ARG A 79 5.351 -13.664 8.491 1.00 0.24 C ATOM 1156 O ARG A 79 5.892 -14.554 9.144 1.00 0.33 O ATOM 1157 CB ARG A 79 4.833 -11.947 10.235 1.00 0.25 C ATOM 1158 CG ARG A 79 3.893 -10.828 10.612 1.00 0.25 C ATOM 1159 CD ARG A 79 4.645 -9.643 11.185 1.00 0.28 C ATOM 1160 NE ARG A 79 3.770 -8.487 11.372 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.148 -7.354 11.966 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.383 -7.222 12.428 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.292 -6.349 12.096 1.00 0.47 N ATOM 0 H ARG A 79 3.053 -13.684 10.517 1.00 0.24 H new ATOM 0 HA ARG A 79 3.954 -12.078 8.315 1.00 0.22 H new ATOM 0 HB2 ARG A 79 5.000 -12.590 11.099 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.801 -11.531 9.955 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.329 -10.513 9.734 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.169 -11.189 11.343 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.089 -9.921 12.141 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.465 -9.375 10.518 1.00 0.28 H new ATOM 0 HE ARG A 79 2.812 -8.551 11.027 1.00 0.33 H new ATOM 0 HH11 ARG A 79 6.049 -7.988 12.330 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.668 -6.354 12.882 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.340 -6.441 11.741 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.586 -5.485 12.551 1.00 0.47 H new ATOM 1177 N VAL A 80 5.629 -13.412 7.233 1.00 0.20 N ATOM 1178 CA VAL A 80 6.514 -14.245 6.450 1.00 0.22 C ATOM 1179 C VAL A 80 7.921 -13.670 6.426 1.00 0.21 C ATOM 1180 O VAL A 80 8.862 -14.310 5.953 1.00 0.27 O ATOM 1181 CB VAL A 80 5.983 -14.375 5.016 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.646 -15.086 5.012 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.856 -13.006 4.365 1.00 0.22 C ATOM 0 H VAL A 80 5.245 -12.618 6.720 1.00 0.20 H new ATOM 0 HA VAL A 80 6.551 -15.231 6.913 1.00 0.22 H new ATOM 0 HB VAL A 80 6.694 -14.966 4.438 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.282 -15.171 3.988 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.762 -16.082 5.439 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.930 -14.518 5.606 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.478 -13.120 3.349 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.165 -12.391 4.942 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.833 -12.525 4.337 1.00 0.22 H new ATOM 1193 N GLN A 81 8.050 -12.456 6.929 1.00 0.18 N ATOM 1194 CA GLN A 81 9.323 -11.768 6.944 1.00 0.19 C ATOM 1195 C GLN A 81 9.243 -10.559 7.863 1.00 0.19 C ATOM 1196 O GLN A 81 8.184 -9.943 7.998 1.00 0.26 O ATOM 1197 CB GLN A 81 9.713 -11.352 5.519 1.00 0.23 C ATOM 1198 CG GLN A 81 8.711 -10.430 4.846 1.00 0.23 C ATOM 1199 CD GLN A 81 8.967 -10.270 3.363 1.00 0.37 C ATOM 1200 OE1 GLN A 81 8.327 -11.115 2.569 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.715 -9.395 2.931 1.00 0.50 N flip ATOM 0 H GLN A 81 7.280 -11.924 7.335 1.00 0.18 H new ATOM 0 HA GLN A 81 10.093 -12.439 7.324 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.683 -10.856 5.549 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.832 -12.248 4.910 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.705 -10.822 4.996 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.746 -9.451 5.324 1.00 0.23 H new ATOM 0 HE21 GLN A 81 10.189 -8.764 3.578 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.862 -9.300 1.926 1.00 0.50 H new ATOM 1210 N GLU A 82 10.348 -10.248 8.508 1.00 0.24 N ATOM 1211 CA GLU A 82 10.435 -9.091 9.370 1.00 0.24 C ATOM 1212 C GLU A 82 11.872 -8.605 9.366 1.00 0.25 C ATOM 1213 O GLU A 82 12.743 -9.187 10.007 1.00 0.41 O ATOM 1214 CB GLU A 82 9.968 -9.442 10.787 1.00 0.35 C ATOM 1215 CG GLU A 82 9.991 -8.265 11.743 1.00 0.44 C ATOM 1216 CD GLU A 82 9.040 -8.434 12.913 1.00 0.82 C ATOM 1217 OE1 GLU A 82 7.819 -8.539 12.681 1.00 1.34 O ATOM 1218 OE2 GLU A 82 9.521 -8.485 14.069 1.00 1.21 O ATOM 0 H GLU A 82 11.210 -10.791 8.449 1.00 0.24 H new ATOM 0 HA GLU A 82 9.783 -8.297 9.006 1.00 0.24 H new ATOM 0 HB2 GLU A 82 8.954 -9.840 10.738 1.00 0.35 H new ATOM 0 HB3 GLU A 82 10.603 -10.234 11.184 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.004 -8.131 12.122 1.00 0.44 H new ATOM 0 HG3 GLU A 82 9.731 -7.357 11.199 1.00 0.44 H new ATOM 1225 N GLU A 83 12.108 -7.530 8.634 1.00 0.22 N ATOM 1226 CA GLU A 83 13.460 -7.075 8.374 1.00 0.26 C ATOM 1227 C GLU A 83 13.607 -5.619 8.758 1.00 0.23 C ATOM 1228 O GLU A 83 13.012 -4.743 8.131 1.00 0.24 O ATOM 1229 CB GLU A 83 13.806 -7.238 6.891 1.00 0.39 C ATOM 1230 CG GLU A 83 13.140 -8.428 6.210 1.00 1.20 C ATOM 1231 CD GLU A 83 13.652 -9.774 6.700 1.00 1.73 C ATOM 1232 OE1 GLU A 83 14.876 -10.011 6.629 1.00 1.69 O ATOM 1233 OE2 GLU A 83 12.828 -10.610 7.134 1.00 2.59 O ATOM 0 H GLU A 83 11.379 -6.956 8.209 1.00 0.22 H new ATOM 0 HA GLU A 83 14.141 -7.681 8.972 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.521 -6.328 6.363 1.00 0.39 H new ATOM 0 HB3 GLU A 83 14.887 -7.338 6.793 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.064 -8.376 6.376 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.301 -8.357 5.134 1.00 1.20 H new ATOM 1240 N PRO A 84 14.420 -5.343 9.782 1.00 0.23 N ATOM 1241 CA PRO A 84 14.614 -3.989 10.304 1.00 0.21 C ATOM 1242 C PRO A 84 15.292 -3.058 9.306 1.00 0.19 C ATOM 1243 O PRO A 84 15.289 -1.843 9.491 1.00 0.20 O ATOM 1244 CB PRO A 84 15.507 -4.199 11.531 1.00 0.25 C ATOM 1245 CG PRO A 84 16.198 -5.496 11.284 1.00 0.50 C ATOM 1246 CD PRO A 84 15.223 -6.337 10.516 1.00 0.31 C ATOM 0 HA PRO A 84 13.661 -3.509 10.528 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.223 -3.385 11.643 1.00 0.25 H new ATOM 0 HB3 PRO A 84 14.918 -4.233 12.447 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.118 -5.348 10.718 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.475 -5.977 12.222 1.00 0.50 H new ATOM 0 HD2 PRO A 84 15.731 -7.023 9.838 1.00 0.31 H new ATOM 0 HD3 PRO A 84 14.605 -6.943 11.179 1.00 0.31 H new ATOM 1254 N GLU A 85 15.835 -3.624 8.237 1.00 0.20 N ATOM 1255 CA GLU A 85 16.597 -2.849 7.274 1.00 0.22 C ATOM 1256 C GLU A 85 16.520 -3.478 5.899 1.00 0.24 C ATOM 1257 O GLU A 85 17.031 -4.573 5.666 1.00 0.35 O ATOM 1258 CB GLU A 85 18.062 -2.758 7.710 1.00 0.31 C ATOM 1259 CG GLU A 85 18.724 -1.426 7.396 1.00 0.34 C ATOM 1260 CD GLU A 85 18.467 -0.393 8.472 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.682 -0.697 9.661 1.00 1.30 O ATOM 1262 OE2 GLU A 85 18.079 0.745 8.137 1.00 1.37 O ATOM 0 H GLU A 85 15.761 -4.617 8.017 1.00 0.20 H new ATOM 0 HA GLU A 85 16.168 -1.848 7.229 1.00 0.22 H new ATOM 0 HB2 GLU A 85 18.122 -2.936 8.784 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.625 -3.554 7.223 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.798 -1.573 7.285 1.00 0.34 H new ATOM 0 HG3 GLU A 85 18.353 -1.054 6.441 1.00 0.34 H new ATOM 1269 N LEU A 86 15.856 -2.782 5.013 1.00 0.23 N ATOM 1270 CA LEU A 86 15.814 -3.132 3.623 1.00 0.24 C ATOM 1271 C LEU A 86 16.150 -1.895 2.810 1.00 0.23 C ATOM 1272 O LEU A 86 15.361 -0.954 2.741 1.00 0.25 O ATOM 1273 CB LEU A 86 14.437 -3.667 3.253 1.00 0.26 C ATOM 1274 CG LEU A 86 14.229 -3.871 1.762 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.202 -4.908 1.211 1.00 0.38 C ATOM 1276 CD2 LEU A 86 12.795 -4.272 1.469 1.00 0.38 C ATOM 0 H LEU A 86 15.322 -1.944 5.244 1.00 0.23 H new ATOM 0 HA LEU A 86 16.539 -3.918 3.411 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.279 -4.617 3.764 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.679 -2.976 3.623 1.00 0.26 H new ATOM 0 HG LEU A 86 14.428 -2.923 1.262 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.032 -5.035 0.142 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.225 -4.572 1.378 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.045 -5.860 1.719 1.00 0.38 H new ATOM 0 HD21 LEU A 86 12.669 -4.413 0.396 1.00 0.38 H new ATOM 0 HD22 LEU A 86 12.565 -5.203 1.987 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.120 -3.488 1.814 1.00 0.38 H new ATOM 1288 N VAL A 87 17.338 -1.878 2.244 1.00 0.24 N ATOM 1289 CA VAL A 87 17.812 -0.717 1.522 1.00 0.22 C ATOM 1290 C VAL A 87 17.829 -1.011 0.020 1.00 0.21 C ATOM 1291 O VAL A 87 18.199 -2.110 -0.396 1.00 0.28 O ATOM 1292 CB VAL A 87 19.216 -0.307 2.030 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.280 -1.298 1.585 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.563 1.097 1.584 1.00 0.94 C ATOM 0 H VAL A 87 17.995 -2.658 2.270 1.00 0.24 H new ATOM 0 HA VAL A 87 17.135 0.119 1.699 1.00 0.22 H new ATOM 0 HB VAL A 87 19.190 -0.320 3.120 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.253 -0.979 1.959 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.045 -2.286 1.980 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.306 -1.340 0.496 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.554 1.362 1.953 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.557 1.145 0.495 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.828 1.797 1.982 1.00 0.94 H new ATOM 1304 N PHE A 88 17.396 -0.047 -0.783 1.00 0.17 N ATOM 1305 CA PHE A 88 17.277 -0.249 -2.226 1.00 0.19 C ATOM 1306 C PHE A 88 17.221 1.084 -2.957 1.00 0.20 C ATOM 1307 O PHE A 88 17.029 2.137 -2.342 1.00 0.23 O ATOM 1308 CB PHE A 88 16.021 -1.066 -2.544 1.00 0.21 C ATOM 1309 CG PHE A 88 14.731 -0.372 -2.194 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.294 -0.316 -0.879 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.955 0.212 -3.181 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.109 0.313 -0.556 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.765 0.841 -2.866 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.342 0.890 -1.555 1.00 0.15 C ATOM 0 H PHE A 88 17.121 0.882 -0.463 1.00 0.17 H new ATOM 0 HA PHE A 88 18.157 -0.795 -2.565 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.016 -1.305 -3.607 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.070 -2.012 -2.005 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.888 -0.770 -0.099 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.283 0.176 -4.209 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.781 0.355 0.472 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.168 1.293 -3.645 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.412 1.379 -1.306 1.00 0.15 H new ATOM 1324 N THR A 89 17.392 1.026 -4.269 1.00 0.23 N ATOM 1325 CA THR A 89 17.263 2.195 -5.117 1.00 0.25 C ATOM 1326 C THR A 89 15.801 2.387 -5.506 1.00 0.21 C ATOM 1327 O THR A 89 15.213 1.539 -6.183 1.00 0.22 O ATOM 1328 CB THR A 89 18.113 2.046 -6.390 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.454 1.685 -6.035 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.125 3.340 -7.191 1.00 0.37 C ATOM 0 H THR A 89 17.623 0.169 -4.772 1.00 0.23 H new ATOM 0 HA THR A 89 17.617 3.063 -4.561 1.00 0.25 H new ATOM 0 HB THR A 89 17.673 1.263 -7.008 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.993 1.589 -6.848 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.733 3.208 -8.086 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.106 3.599 -7.479 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.545 4.141 -6.582 1.00 0.37 H new ATOM 1338 N LEU A 90 15.221 3.484 -5.049 1.00 0.19 N ATOM 1339 CA LEU A 90 13.835 3.811 -5.346 1.00 0.16 C ATOM 1340 C LEU A 90 13.634 3.957 -6.851 1.00 0.15 C ATOM 1341 O LEU A 90 14.362 4.693 -7.506 1.00 0.18 O ATOM 1342 CB LEU A 90 13.464 5.114 -4.645 1.00 0.16 C ATOM 1343 CG LEU A 90 11.969 5.362 -4.490 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.311 4.190 -3.786 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.727 6.653 -3.728 1.00 0.60 C ATOM 0 H LEU A 90 15.695 4.172 -4.463 1.00 0.19 H new ATOM 0 HA LEU A 90 13.194 3.006 -4.987 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.922 5.119 -3.656 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.898 5.944 -5.202 1.00 0.16 H new ATOM 0 HG LEU A 90 11.524 5.459 -5.480 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.243 4.381 -3.682 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.462 3.283 -4.371 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.755 4.063 -2.798 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.655 6.819 -3.624 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.181 6.583 -2.739 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.172 7.486 -4.273 1.00 0.60 H new ATOM 1357 N GLY A 91 12.672 3.239 -7.404 1.00 0.20 N ATOM 1358 CA GLY A 91 12.364 3.376 -8.811 1.00 0.23 C ATOM 1359 C GLY A 91 13.136 2.412 -9.680 1.00 0.26 C ATOM 1360 O GLY A 91 13.074 2.488 -10.907 1.00 0.37 O ATOM 0 H GLY A 91 12.097 2.562 -6.903 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.296 3.217 -8.961 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.582 4.396 -9.127 1.00 0.23 H new ATOM 1364 N ASP A 92 13.865 1.502 -9.055 1.00 0.27 N ATOM 1365 CA ASP A 92 14.637 0.517 -9.800 1.00 0.32 C ATOM 1366 C ASP A 92 13.918 -0.815 -9.795 1.00 0.30 C ATOM 1367 O ASP A 92 14.283 -1.736 -10.531 1.00 0.37 O ATOM 1368 CB ASP A 92 16.044 0.368 -9.209 1.00 0.42 C ATOM 1369 CG ASP A 92 16.932 -0.562 -10.017 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.582 -0.088 -10.968 1.00 0.93 O ATOM 1371 OD2 ASP A 92 16.979 -1.774 -9.708 1.00 0.82 O ATOM 0 H ASP A 92 13.939 1.423 -8.041 1.00 0.27 H new ATOM 0 HA ASP A 92 14.737 0.861 -10.829 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.513 1.350 -9.151 1.00 0.42 H new ATOM 0 HB3 ASP A 92 15.966 -0.009 -8.189 1.00 0.42 H new ATOM 1376 N CYS A 93 12.857 -0.893 -8.995 1.00 0.28 N ATOM 1377 CA CYS A 93 12.168 -2.149 -8.762 1.00 0.27 C ATOM 1378 C CYS A 93 13.147 -3.162 -8.193 1.00 0.26 C ATOM 1379 O CYS A 93 13.081 -4.354 -8.497 1.00 0.31 O ATOM 1380 CB CYS A 93 11.547 -2.679 -10.053 1.00 0.38 C ATOM 1381 SG CYS A 93 10.542 -1.466 -10.934 1.00 0.62 S ATOM 0 H CYS A 93 12.459 -0.096 -8.498 1.00 0.28 H new ATOM 0 HA CYS A 93 11.362 -1.981 -8.048 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.343 -3.024 -10.713 1.00 0.38 H new ATOM 0 HB3 CYS A 93 10.929 -3.546 -9.818 1.00 0.38 H new ATOM 0 HG CYS A 93 9.742 -0.875 -10.097 1.00 0.62 H new ATOM 1387 N ASP A 94 14.054 -2.682 -7.347 1.00 0.27 N ATOM 1388 CA ASP A 94 15.019 -3.556 -6.708 1.00 0.33 C ATOM 1389 C ASP A 94 14.281 -4.408 -5.692 1.00 0.33 C ATOM 1390 O ASP A 94 14.735 -5.465 -5.262 1.00 0.48 O ATOM 1391 CB ASP A 94 16.125 -2.736 -6.035 1.00 0.41 C ATOM 1392 CG ASP A 94 17.217 -3.605 -5.445 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.152 -3.979 -6.179 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.138 -3.919 -4.238 1.00 1.33 O ATOM 0 H ASP A 94 14.137 -1.698 -7.092 1.00 0.27 H new ATOM 0 HA ASP A 94 15.497 -4.196 -7.450 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.562 -2.055 -6.765 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.689 -2.122 -5.247 1.00 0.41 H new ATOM 1399 N VAL A 95 13.098 -3.927 -5.369 1.00 0.23 N ATOM 1400 CA VAL A 95 12.222 -4.552 -4.403 1.00 0.21 C ATOM 1401 C VAL A 95 10.911 -4.951 -5.059 1.00 0.20 C ATOM 1402 O VAL A 95 10.848 -5.154 -6.270 1.00 0.22 O ATOM 1403 CB VAL A 95 11.923 -3.567 -3.269 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.143 -3.394 -2.396 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.491 -2.228 -3.850 1.00 0.19 C ATOM 0 H VAL A 95 12.713 -3.076 -5.778 1.00 0.23 H new ATOM 0 HA VAL A 95 12.716 -5.440 -4.010 1.00 0.21 H new ATOM 0 HB VAL A 95 11.113 -3.962 -2.656 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.919 -2.692 -1.593 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.424 -4.356 -1.968 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.968 -3.009 -2.996 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.279 -1.531 -3.039 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.290 -1.827 -4.474 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.594 -2.366 -4.453 1.00 0.19 H new ATOM 1415 N ILE A 96 9.862 -5.045 -4.258 1.00 0.19 N ATOM 1416 CA ILE A 96 8.546 -5.290 -4.775 1.00 0.19 C ATOM 1417 C ILE A 96 7.973 -3.960 -5.222 1.00 0.16 C ATOM 1418 O ILE A 96 8.178 -2.941 -4.557 1.00 0.15 O ATOM 1419 CB ILE A 96 7.640 -5.947 -3.713 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.445 -5.016 -2.512 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.250 -7.265 -3.259 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.525 -5.569 -1.445 1.00 0.29 C ATOM 0 H ILE A 96 9.908 -4.953 -3.243 1.00 0.19 H new ATOM 0 HA ILE A 96 8.600 -5.983 -5.614 1.00 0.19 H new ATOM 0 HB ILE A 96 6.664 -6.137 -4.160 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.417 -4.807 -2.066 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.045 -4.065 -2.864 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.606 -7.725 -2.509 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.347 -7.935 -4.114 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.234 -7.081 -2.829 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.440 -4.850 -0.630 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.539 -5.751 -1.873 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.933 -6.505 -1.062 1.00 0.29 H new ATOM 1434 N GLN A 97 7.301 -3.950 -6.354 1.00 0.17 N ATOM 1435 CA GLN A 97 6.832 -2.700 -6.934 1.00 0.17 C ATOM 1436 C GLN A 97 5.904 -1.969 -5.972 1.00 0.16 C ATOM 1437 O GLN A 97 5.883 -0.742 -5.938 1.00 0.16 O ATOM 1438 CB GLN A 97 6.116 -2.918 -8.262 1.00 0.19 C ATOM 1439 CG GLN A 97 5.998 -1.634 -9.065 1.00 0.25 C ATOM 1440 CD GLN A 97 7.278 -1.290 -9.810 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.252 -0.691 -9.127 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.413 -1.607 -10.994 1.00 0.32 N flip ATOM 0 H GLN A 97 7.066 -4.785 -6.891 1.00 0.17 H new ATOM 0 HA GLN A 97 7.716 -2.090 -7.119 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.656 -3.662 -8.847 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.121 -3.321 -8.075 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.181 -1.731 -9.780 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.740 -0.814 -8.395 1.00 0.25 H new ATOM 0 HE21 GLN A 97 6.648 -2.065 -11.490 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.290 -1.412 -11.478 1.00 0.32 H new ATOM 1451 N ALA A 98 5.156 -2.732 -5.181 1.00 0.17 N ATOM 1452 CA ALA A 98 4.293 -2.157 -4.160 1.00 0.18 C ATOM 1453 C ALA A 98 5.090 -1.257 -3.230 1.00 0.17 C ATOM 1454 O ALA A 98 4.650 -0.167 -2.871 1.00 0.20 O ATOM 1455 CB ALA A 98 3.625 -3.257 -3.361 1.00 0.20 C ATOM 0 H ALA A 98 5.132 -3.751 -5.229 1.00 0.17 H new ATOM 0 HA ALA A 98 3.528 -1.559 -4.655 1.00 0.18 H new ATOM 0 HB1 ALA A 98 2.982 -2.815 -2.600 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.025 -3.878 -4.027 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.386 -3.871 -2.880 1.00 0.20 H new ATOM 1461 N LEU A 99 6.272 -1.718 -2.859 1.00 0.17 N ATOM 1462 CA LEU A 99 7.131 -0.968 -1.950 1.00 0.17 C ATOM 1463 C LEU A 99 7.788 0.193 -2.674 1.00 0.15 C ATOM 1464 O LEU A 99 7.883 1.299 -2.146 1.00 0.15 O ATOM 1465 CB LEU A 99 8.218 -1.859 -1.358 1.00 0.19 C ATOM 1466 CG LEU A 99 9.155 -1.138 -0.388 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.372 -0.554 0.778 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.234 -2.074 0.116 1.00 0.22 C ATOM 0 H LEU A 99 6.661 -2.607 -3.171 1.00 0.17 H new ATOM 0 HA LEU A 99 6.501 -0.591 -1.144 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.746 -2.693 -0.839 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.809 -2.282 -2.170 1.00 0.19 H new ATOM 0 HG LEU A 99 9.636 -0.321 -0.926 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.056 -0.045 1.457 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.637 0.158 0.402 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.861 -1.356 1.311 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.888 -1.538 0.804 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.773 -2.915 0.634 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.818 -2.443 -0.727 1.00 0.22 H new ATOM 1480 N ASP A 100 8.210 -0.077 -3.897 1.00 0.15 N ATOM 1481 CA ASP A 100 8.937 0.885 -4.707 1.00 0.16 C ATOM 1482 C ASP A 100 8.072 2.116 -4.951 1.00 0.15 C ATOM 1483 O ASP A 100 8.569 3.228 -5.139 1.00 0.16 O ATOM 1484 CB ASP A 100 9.333 0.209 -6.028 1.00 0.17 C ATOM 1485 CG ASP A 100 10.072 1.113 -6.992 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.410 1.865 -7.742 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.316 1.040 -7.028 1.00 0.21 O ATOM 0 H ASP A 100 8.057 -0.974 -4.358 1.00 0.15 H new ATOM 0 HA ASP A 100 9.840 1.213 -4.192 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.958 -0.656 -5.807 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.433 -0.165 -6.516 1.00 0.17 H new ATOM 1492 N LEU A 101 6.768 1.892 -4.952 1.00 0.16 N ATOM 1493 CA LEU A 101 5.801 2.956 -5.095 1.00 0.16 C ATOM 1494 C LEU A 101 5.387 3.538 -3.739 1.00 0.15 C ATOM 1495 O LEU A 101 5.172 4.747 -3.610 1.00 0.16 O ATOM 1496 CB LEU A 101 4.582 2.424 -5.839 1.00 0.19 C ATOM 1497 CG LEU A 101 4.878 1.816 -7.213 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.597 1.329 -7.873 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.600 2.824 -8.102 1.00 0.25 C ATOM 0 H LEU A 101 6.355 0.965 -4.853 1.00 0.16 H new ATOM 0 HA LEU A 101 6.260 3.765 -5.663 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.099 1.668 -5.220 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.868 3.238 -5.964 1.00 0.19 H new ATOM 0 HG LEU A 101 5.533 0.956 -7.074 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.830 0.901 -8.848 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.130 0.570 -7.245 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.911 2.167 -7.999 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.802 2.373 -9.074 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.974 3.707 -8.234 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.541 3.113 -7.634 1.00 0.25 H new ATOM 1511 N SER A 102 5.284 2.684 -2.729 1.00 0.15 N ATOM 1512 CA SER A 102 4.789 3.099 -1.429 1.00 0.17 C ATOM 1513 C SER A 102 5.763 4.046 -0.744 1.00 0.15 C ATOM 1514 O SER A 102 5.358 4.882 0.059 1.00 0.18 O ATOM 1515 CB SER A 102 4.534 1.879 -0.539 1.00 0.23 C ATOM 1516 OG SER A 102 4.124 2.269 0.759 1.00 1.01 O ATOM 0 H SER A 102 5.538 1.698 -2.788 1.00 0.15 H new ATOM 0 HA SER A 102 3.850 3.629 -1.586 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.768 1.249 -0.991 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.441 1.279 -0.472 1.00 0.23 H new ATOM 0 HG SER A 102 4.762 1.927 1.420 1.00 1.01 H new ATOM 1522 N VAL A 103 7.041 3.909 -1.062 1.00 0.15 N ATOM 1523 CA VAL A 103 8.076 4.732 -0.452 1.00 0.16 C ATOM 1524 C VAL A 103 7.948 6.210 -0.835 1.00 0.16 C ATOM 1525 O VAL A 103 7.866 7.057 0.043 1.00 0.18 O ATOM 1526 CB VAL A 103 9.472 4.226 -0.814 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.547 5.218 -0.390 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.722 2.879 -0.172 1.00 0.19 C ATOM 0 H VAL A 103 7.388 3.233 -1.742 1.00 0.15 H new ATOM 0 HA VAL A 103 7.934 4.651 0.626 1.00 0.16 H new ATOM 0 HB VAL A 103 9.521 4.120 -1.898 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.528 4.829 -0.661 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.382 6.170 -0.894 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.501 5.365 0.689 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.720 2.529 -0.437 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.646 2.973 0.911 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.980 2.164 -0.527 1.00 0.19 H new ATOM 1538 N PRO A 104 7.936 6.551 -2.138 1.00 0.17 N ATOM 1539 CA PRO A 104 7.706 7.934 -2.579 1.00 0.21 C ATOM 1540 C PRO A 104 6.313 8.432 -2.192 1.00 0.19 C ATOM 1541 O PRO A 104 6.047 9.637 -2.177 1.00 0.22 O ATOM 1542 CB PRO A 104 7.860 7.864 -4.102 1.00 0.27 C ATOM 1543 CG PRO A 104 7.678 6.426 -4.442 1.00 0.21 C ATOM 1544 CD PRO A 104 8.203 5.657 -3.275 1.00 0.17 C ATOM 0 HA PRO A 104 8.399 8.634 -2.112 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.117 8.485 -4.603 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.840 8.223 -4.417 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.627 6.197 -4.619 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.218 6.169 -5.353 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.695 4.699 -3.162 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.267 5.444 -3.379 1.00 0.17 H new ATOM 1552 N LEU A 105 5.421 7.492 -1.898 1.00 0.18 N ATOM 1553 CA LEU A 105 4.100 7.821 -1.386 1.00 0.19 C ATOM 1554 C LEU A 105 4.128 8.024 0.126 1.00 0.22 C ATOM 1555 O LEU A 105 3.169 8.525 0.713 1.00 0.32 O ATOM 1556 CB LEU A 105 3.112 6.715 -1.738 1.00 0.18 C ATOM 1557 CG LEU A 105 2.654 6.688 -3.195 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.440 5.794 -3.344 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.344 8.094 -3.692 1.00 0.64 C ATOM 0 H LEU A 105 5.592 6.492 -2.007 1.00 0.18 H new ATOM 0 HA LEU A 105 3.783 8.754 -1.851 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.568 5.754 -1.500 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.234 6.818 -1.100 1.00 0.18 H new ATOM 0 HG LEU A 105 3.464 6.285 -3.803 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.122 5.782 -4.387 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.693 4.781 -3.031 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.630 6.174 -2.722 1.00 0.53 H new ATOM 0 HD21 LEU A 105 2.020 8.049 -4.732 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.551 8.529 -3.083 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.239 8.712 -3.617 1.00 0.64 H new ATOM 1571 N MET A 106 5.212 7.599 0.753 1.00 0.20 N ATOM 1572 CA MET A 106 5.385 7.746 2.188 1.00 0.24 C ATOM 1573 C MET A 106 6.397 8.857 2.508 1.00 0.21 C ATOM 1574 O MET A 106 7.394 9.023 1.806 1.00 0.26 O ATOM 1575 CB MET A 106 5.812 6.393 2.796 1.00 0.33 C ATOM 1576 CG MET A 106 6.922 6.493 3.829 1.00 0.53 C ATOM 1577 SD MET A 106 6.971 5.091 4.975 1.00 0.78 S ATOM 1578 CE MET A 106 6.995 3.692 3.877 1.00 0.54 C ATOM 0 H MET A 106 5.995 7.144 0.283 1.00 0.20 H new ATOM 0 HA MET A 106 4.436 8.042 2.636 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.943 5.925 3.258 1.00 0.33 H new ATOM 0 HB3 MET A 106 6.139 5.734 1.992 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.880 6.566 3.315 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.795 7.414 4.399 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.457 2.843 4.380 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.975 3.435 3.593 1.00 0.54 H new ATOM 0 HE3 MET A 106 7.568 3.940 2.984 1.00 0.54 H new ATOM 1588 N ASP A 107 6.120 9.630 3.552 1.00 0.18 N ATOM 1589 CA ASP A 107 7.024 10.694 3.981 1.00 0.18 C ATOM 1590 C ASP A 107 8.175 10.110 4.773 1.00 0.14 C ATOM 1591 O ASP A 107 8.044 9.052 5.393 1.00 0.13 O ATOM 1592 CB ASP A 107 6.294 11.738 4.830 1.00 0.25 C ATOM 1593 CG ASP A 107 5.459 12.686 4.001 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.446 12.236 3.429 1.00 0.92 O ATOM 1595 OD2 ASP A 107 5.794 13.883 3.925 1.00 0.97 O ATOM 0 H ASP A 107 5.276 9.541 4.118 1.00 0.18 H new ATOM 0 HA ASP A 107 7.407 11.187 3.087 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.652 11.230 5.550 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.025 12.310 5.402 1.00 0.25 H new ATOM 1600 N VAL A 108 9.313 10.782 4.751 1.00 0.16 N ATOM 1601 CA VAL A 108 10.461 10.292 5.482 1.00 0.16 C ATOM 1602 C VAL A 108 10.174 10.329 6.979 1.00 0.15 C ATOM 1603 O VAL A 108 9.730 11.340 7.528 1.00 0.19 O ATOM 1604 CB VAL A 108 11.755 11.077 5.136 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.010 12.251 6.073 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.954 10.141 5.109 1.00 0.80 C ATOM 0 H VAL A 108 9.463 11.654 4.243 1.00 0.16 H new ATOM 0 HA VAL A 108 10.637 9.259 5.181 1.00 0.16 H new ATOM 0 HB VAL A 108 11.607 11.501 4.143 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.929 12.759 5.779 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.175 12.950 6.017 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.109 11.886 7.095 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.853 10.708 4.865 1.00 0.80 H new ATOM 0 HG22 VAL A 108 13.074 9.675 6.087 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.796 9.369 4.356 1.00 0.80 H new ATOM 1616 N GLY A 109 10.359 9.193 7.610 1.00 0.15 N ATOM 1617 CA GLY A 109 10.185 9.104 9.038 1.00 0.17 C ATOM 1618 C GLY A 109 8.808 8.611 9.414 1.00 0.18 C ATOM 1619 O GLY A 109 8.426 8.667 10.585 1.00 0.28 O ATOM 0 H GLY A 109 10.629 8.320 7.157 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.936 8.432 9.453 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.353 10.084 9.485 1.00 0.17 H new ATOM 1623 N GLU A 110 8.052 8.130 8.434 1.00 0.13 N ATOM 1624 CA GLU A 110 6.737 7.589 8.711 1.00 0.13 C ATOM 1625 C GLU A 110 6.756 6.079 8.632 1.00 0.10 C ATOM 1626 O GLU A 110 7.749 5.470 8.227 1.00 0.12 O ATOM 1627 CB GLU A 110 5.658 8.133 7.768 1.00 0.17 C ATOM 1628 CG GLU A 110 5.600 7.478 6.409 1.00 0.20 C ATOM 1629 CD GLU A 110 4.324 7.772 5.627 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.045 8.964 5.347 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.578 6.828 5.318 1.00 0.39 O ATOM 0 H GLU A 110 8.327 8.106 7.452 1.00 0.13 H new ATOM 0 HA GLU A 110 6.482 7.907 9.722 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.687 8.020 8.250 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.823 9.202 7.631 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.457 7.809 5.822 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.696 6.399 6.534 1.00 0.20 H new ATOM 1638 N THR A 111 5.668 5.481 9.058 1.00 0.10 N ATOM 1639 CA THR A 111 5.504 4.058 8.970 1.00 0.11 C ATOM 1640 C THR A 111 4.132 3.768 8.406 1.00 0.11 C ATOM 1641 O THR A 111 3.116 4.169 8.978 1.00 0.12 O ATOM 1642 CB THR A 111 5.654 3.392 10.340 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.816 3.903 11.006 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.768 1.882 10.209 1.00 0.19 C ATOM 0 H THR A 111 4.876 5.971 9.474 1.00 0.10 H new ATOM 0 HA THR A 111 6.279 3.652 8.320 1.00 0.11 H new ATOM 0 HB THR A 111 4.763 3.620 10.925 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.906 3.474 11.883 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.873 1.438 11.199 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.872 1.490 9.729 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.641 1.634 9.605 1.00 0.19 H new ATOM 1652 N ALA A 112 4.108 3.106 7.273 1.00 0.12 N ATOM 1653 CA ALA A 112 2.867 2.839 6.589 1.00 0.13 C ATOM 1654 C ALA A 112 2.613 1.348 6.505 1.00 0.12 C ATOM 1655 O ALA A 112 3.531 0.565 6.267 1.00 0.13 O ATOM 1656 CB ALA A 112 2.896 3.451 5.200 1.00 0.18 C ATOM 0 H ALA A 112 4.938 2.742 6.805 1.00 0.12 H new ATOM 0 HA ALA A 112 2.053 3.291 7.156 1.00 0.13 H new ATOM 0 HB1 ALA A 112 1.954 3.244 4.691 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.036 4.529 5.280 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.719 3.020 4.630 1.00 0.18 H new ATOM 1662 N MET A 113 1.371 0.967 6.703 1.00 0.12 N ATOM 1663 CA MET A 113 0.964 -0.410 6.521 1.00 0.12 C ATOM 1664 C MET A 113 0.355 -0.528 5.153 1.00 0.12 C ATOM 1665 O MET A 113 -0.654 0.107 4.858 1.00 0.14 O ATOM 1666 CB MET A 113 -0.049 -0.828 7.589 1.00 0.16 C ATOM 1667 CG MET A 113 -0.724 -2.165 7.307 1.00 0.25 C ATOM 1668 SD MET A 113 -1.838 -2.674 8.628 1.00 0.53 S ATOM 1669 CE MET A 113 -2.365 -4.270 8.017 1.00 1.32 C ATOM 0 H MET A 113 0.621 1.595 6.992 1.00 0.12 H new ATOM 0 HA MET A 113 1.827 -1.068 6.617 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.456 -0.883 8.554 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.814 -0.056 7.673 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.282 -2.096 6.373 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.039 -2.930 7.166 1.00 0.25 H new ATOM 0 HE1 MET A 113 -3.115 -4.687 8.689 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.793 -4.155 7.021 1.00 1.32 H new ATOM 0 HE3 MET A 113 -1.508 -4.942 7.968 1.00 1.32 H new ATOM 1679 N VAL A 114 0.976 -1.319 4.320 1.00 0.12 N ATOM 1680 CA VAL A 114 0.546 -1.444 2.953 1.00 0.12 C ATOM 1681 C VAL A 114 0.073 -2.845 2.707 1.00 0.13 C ATOM 1682 O VAL A 114 0.746 -3.816 3.061 1.00 0.16 O ATOM 1683 CB VAL A 114 1.689 -1.129 1.972 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.177 -0.841 0.570 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.527 0.017 2.487 1.00 0.17 C ATOM 0 H VAL A 114 1.785 -1.889 4.565 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.261 -0.730 2.788 1.00 0.12 H new ATOM 0 HB VAL A 114 2.316 -2.018 1.905 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.019 -0.624 -0.087 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.637 -1.710 0.194 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.507 0.018 0.597 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.331 0.226 1.781 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.902 0.903 2.599 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.954 -0.250 3.454 1.00 0.17 H new ATOM 1695 N THR A 115 -1.091 -2.961 2.136 1.00 0.14 N ATOM 1696 CA THR A 115 -1.547 -4.235 1.698 1.00 0.14 C ATOM 1697 C THR A 115 -1.480 -4.272 0.198 1.00 0.13 C ATOM 1698 O THR A 115 -2.162 -3.516 -0.496 1.00 0.16 O ATOM 1699 CB THR A 115 -2.957 -4.568 2.188 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.000 -4.514 3.616 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.336 -5.954 1.738 1.00 0.20 C ATOM 0 H THR A 115 -1.735 -2.188 1.966 1.00 0.14 H new ATOM 0 HA THR A 115 -0.898 -4.997 2.130 1.00 0.14 H new ATOM 0 HB THR A 115 -3.656 -3.842 1.773 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.642 -3.829 3.898 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.341 -6.188 2.089 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.311 -6.003 0.649 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.631 -6.676 2.150 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.610 -5.124 -0.274 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.360 -5.276 -1.688 1.00 0.13 C ATOM 1711 C ALA A 116 -0.592 -6.707 -2.092 1.00 0.12 C ATOM 1712 O ALA A 116 -0.176 -7.621 -1.387 1.00 0.13 O ATOM 1713 CB ALA A 116 1.061 -4.863 -2.010 1.00 0.15 C ATOM 0 H ALA A 116 -0.048 -5.739 0.315 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.043 -4.635 -2.245 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.241 -4.981 -3.079 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.209 -3.820 -1.730 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.757 -5.490 -1.454 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.276 -6.908 -3.203 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.410 -8.245 -3.746 1.00 0.13 C ATOM 1721 C ASP A 117 -0.023 -8.829 -3.955 1.00 0.11 C ATOM 1722 O ASP A 117 0.927 -8.095 -4.239 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.151 -8.240 -5.070 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.604 -9.635 -5.471 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.754 -10.432 -5.937 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.802 -9.937 -5.330 1.00 0.58 O ATOM 0 H ASP A 117 -1.740 -6.175 -3.739 1.00 0.13 H new ATOM 0 HA ASP A 117 -1.984 -8.846 -3.041 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.018 -7.583 -4.998 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.505 -7.831 -5.846 1.00 0.16 H new ATOM 1731 N SER A 118 0.093 -10.137 -3.823 1.00 0.13 N ATOM 1732 CA SER A 118 1.372 -10.812 -3.955 1.00 0.16 C ATOM 1733 C SER A 118 1.983 -10.517 -5.322 1.00 0.13 C ATOM 1734 O SER A 118 3.193 -10.524 -5.493 1.00 0.15 O ATOM 1735 CB SER A 118 1.186 -12.311 -3.768 1.00 0.27 C ATOM 1736 OG SER A 118 2.390 -12.940 -3.376 1.00 0.82 O ATOM 0 H SER A 118 -0.690 -10.759 -3.623 1.00 0.13 H new ATOM 0 HA SER A 118 2.051 -10.444 -3.186 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.419 -12.492 -3.015 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.830 -12.753 -4.699 1.00 0.27 H new ATOM 0 HG SER A 118 2.224 -13.892 -3.214 1.00 0.82 H new ATOM 1742 N LYS A 119 1.136 -10.243 -6.291 1.00 0.13 N ATOM 1743 CA LYS A 119 1.579 -9.837 -7.617 1.00 0.14 C ATOM 1744 C LYS A 119 2.506 -8.609 -7.542 1.00 0.14 C ATOM 1745 O LYS A 119 3.419 -8.467 -8.357 1.00 0.18 O ATOM 1746 CB LYS A 119 0.363 -9.539 -8.490 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.555 -8.508 -7.882 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.678 -8.114 -8.818 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.755 -9.177 -8.911 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.780 -8.810 -9.922 1.00 0.81 N ATOM 0 H LYS A 119 0.123 -10.294 -6.187 1.00 0.13 H new ATOM 0 HA LYS A 119 2.150 -10.653 -8.060 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.699 -9.189 -9.466 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.194 -10.461 -8.657 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -0.977 -8.901 -6.957 1.00 0.19 H new ATOM 0 HG3 LYS A 119 0.022 -7.622 -7.618 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.122 -7.180 -8.474 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.270 -7.926 -9.811 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.305 -10.134 -9.175 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.229 -9.306 -7.938 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.506 -9.554 -9.966 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.224 -7.908 -9.655 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.329 -8.711 -10.854 1.00 0.81 H new ATOM 1764 N TYR A 120 2.286 -7.730 -6.556 1.00 0.13 N ATOM 1765 CA TYR A 120 3.175 -6.589 -6.345 1.00 0.15 C ATOM 1766 C TYR A 120 4.123 -6.879 -5.201 1.00 0.15 C ATOM 1767 O TYR A 120 4.831 -5.996 -4.718 1.00 0.19 O ATOM 1768 CB TYR A 120 2.380 -5.305 -6.071 1.00 0.16 C ATOM 1769 CG TYR A 120 1.475 -4.933 -7.205 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.958 -4.254 -8.309 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.143 -5.299 -7.183 1.00 0.23 C ATOM 1772 CE1 TYR A 120 1.126 -3.947 -9.369 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.694 -4.992 -8.225 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.203 -4.324 -9.320 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.041 -4.041 -10.370 1.00 0.42 O ATOM 0 H TYR A 120 1.507 -7.789 -5.900 1.00 0.13 H new ATOM 0 HA TYR A 120 3.752 -6.433 -7.257 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.787 -5.436 -5.166 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.074 -4.486 -5.882 1.00 0.16 H new ATOM 0 HD1 TYR A 120 2.997 -3.960 -8.343 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.246 -5.836 -6.331 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.511 -3.417 -10.228 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.736 -5.275 -8.185 1.00 0.30 H new ATOM 0 HH TYR A 120 -1.940 -4.377 -10.171 1.00 0.42 H new ATOM 1785 N CYS A 121 4.126 -8.130 -4.782 1.00 0.14 N ATOM 1786 CA CYS A 121 4.997 -8.586 -3.717 1.00 0.15 C ATOM 1787 C CYS A 121 5.820 -9.787 -4.176 1.00 0.16 C ATOM 1788 O CYS A 121 6.879 -9.612 -4.768 1.00 0.18 O ATOM 1789 CB CYS A 121 4.182 -8.921 -2.478 1.00 0.14 C ATOM 1790 SG CYS A 121 3.301 -7.507 -1.789 1.00 0.16 S ATOM 0 H CYS A 121 3.525 -8.857 -5.170 1.00 0.14 H new ATOM 0 HA CYS A 121 5.689 -7.784 -3.462 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.462 -9.701 -2.727 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.846 -9.331 -1.717 1.00 0.14 H new ATOM 0 HG CYS A 121 2.027 -7.764 -1.755 1.00 0.16 H new ATOM 1796 N TYR A 122 5.339 -11.010 -3.926 1.00 0.16 N ATOM 1797 CA TYR A 122 6.060 -12.195 -4.384 1.00 0.18 C ATOM 1798 C TYR A 122 5.109 -13.292 -4.883 1.00 0.18 C ATOM 1799 O TYR A 122 5.337 -14.458 -4.595 1.00 0.20 O ATOM 1800 CB TYR A 122 6.936 -12.771 -3.263 1.00 0.19 C ATOM 1801 CG TYR A 122 7.691 -11.749 -2.440 1.00 0.20 C ATOM 1802 CD1 TYR A 122 7.126 -11.195 -1.301 1.00 0.19 C ATOM 1803 CD2 TYR A 122 8.958 -11.316 -2.819 1.00 0.21 C ATOM 1804 CE1 TYR A 122 7.800 -10.250 -0.556 1.00 0.20 C ATOM 1805 CE2 TYR A 122 9.638 -10.374 -2.078 1.00 0.23 C ATOM 1806 CZ TYR A 122 9.102 -9.906 -0.910 1.00 0.22 C ATOM 1807 OH TYR A 122 9.731 -8.895 -0.210 1.00 0.24 O ATOM 0 H TYR A 122 4.474 -11.200 -3.421 1.00 0.16 H new ATOM 0 HA TYR A 122 6.687 -11.873 -5.215 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.304 -13.356 -2.595 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.656 -13.460 -3.705 1.00 0.19 H new ATOM 0 HD1 TYR A 122 6.140 -11.509 -0.992 1.00 0.19 H new ATOM 0 HD2 TYR A 122 9.416 -11.725 -3.708 1.00 0.21 H new ATOM 0 HE1 TYR A 122 7.323 -9.782 0.293 1.00 0.20 H new ATOM 0 HE2 TYR A 122 10.594 -10.005 -2.419 1.00 0.23 H new ATOM 0 HH TYR A 122 10.635 -8.764 -0.566 1.00 0.24 H new ATOM 1817 N GLY A 123 4.060 -12.929 -5.634 1.00 0.19 N ATOM 1818 CA GLY A 123 3.138 -13.927 -6.180 1.00 0.21 C ATOM 1819 C GLY A 123 3.827 -15.023 -6.977 1.00 0.21 C ATOM 1820 O GLY A 123 4.103 -16.097 -6.454 1.00 0.25 O ATOM 0 H GLY A 123 3.833 -11.964 -5.873 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.581 -14.381 -5.360 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.412 -13.426 -6.820 1.00 0.21 H new ATOM 1824 N PRO A 124 4.093 -14.791 -8.265 1.00 0.25 N ATOM 1825 CA PRO A 124 4.833 -15.737 -9.098 1.00 0.30 C ATOM 1826 C PRO A 124 6.332 -15.611 -8.870 1.00 0.30 C ATOM 1827 O PRO A 124 7.139 -16.200 -9.587 1.00 0.34 O ATOM 1828 CB PRO A 124 4.480 -15.313 -10.533 1.00 0.37 C ATOM 1829 CG PRO A 124 3.494 -14.191 -10.408 1.00 0.58 C ATOM 1830 CD PRO A 124 3.672 -13.619 -9.033 1.00 0.32 C ATOM 0 HA PRO A 124 4.576 -16.773 -8.878 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.370 -14.990 -11.073 1.00 0.37 H new ATOM 0 HB3 PRO A 124 4.053 -16.146 -11.091 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.671 -13.432 -11.170 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.475 -14.552 -10.549 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.422 -12.829 -9.014 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.747 -13.190 -8.647 1.00 0.32 H new ATOM 1838 N GLN A 125 6.690 -14.826 -7.865 1.00 0.27 N ATOM 1839 CA GLN A 125 8.075 -14.493 -7.607 1.00 0.30 C ATOM 1840 C GLN A 125 8.591 -15.282 -6.421 1.00 0.32 C ATOM 1841 O GLN A 125 9.665 -15.879 -6.468 1.00 0.39 O ATOM 1842 CB GLN A 125 8.186 -12.997 -7.336 1.00 0.30 C ATOM 1843 CG GLN A 125 7.491 -12.157 -8.394 1.00 0.33 C ATOM 1844 CD GLN A 125 7.364 -10.701 -8.003 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.252 -9.890 -8.268 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.245 -10.356 -7.385 1.00 0.29 N ATOM 0 H GLN A 125 6.030 -14.406 -7.211 1.00 0.27 H new ATOM 0 HA GLN A 125 8.679 -14.749 -8.477 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.754 -12.776 -6.360 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.238 -12.717 -7.289 1.00 0.30 H new ATOM 0 HG2 GLN A 125 8.046 -12.229 -9.330 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.498 -12.566 -8.580 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.535 -11.060 -7.185 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.093 -9.386 -7.109 1.00 0.29 H new ATOM 1855 N GLY A 126 7.796 -15.283 -5.366 1.00 0.27 N ATOM 1856 CA GLY A 126 8.182 -15.903 -4.128 1.00 0.27 C ATOM 1857 C GLY A 126 9.146 -15.049 -3.342 1.00 0.28 C ATOM 1858 O GLY A 126 9.988 -14.351 -3.905 1.00 0.30 O ATOM 0 H GLY A 126 6.871 -14.854 -5.351 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.293 -16.094 -3.526 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.641 -16.870 -4.335 1.00 0.27 H new ATOM 1862 N SER A 127 9.000 -15.093 -2.040 1.00 0.27 N ATOM 1863 CA SER A 127 9.798 -14.271 -1.158 1.00 0.28 C ATOM 1864 C SER A 127 11.067 -14.999 -0.710 1.00 0.32 C ATOM 1865 O SER A 127 11.141 -16.228 -0.762 1.00 0.33 O ATOM 1866 CB SER A 127 8.943 -13.817 0.040 1.00 0.27 C ATOM 1867 OG SER A 127 9.733 -13.308 1.102 1.00 0.30 O ATOM 0 H SER A 127 8.329 -15.695 -1.562 1.00 0.27 H new ATOM 0 HA SER A 127 10.126 -13.385 -1.702 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.241 -13.050 -0.287 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.351 -14.658 0.401 1.00 0.27 H new ATOM 0 HG SER A 127 9.238 -12.603 1.569 1.00 0.30 H new ATOM 1873 N ARG A 128 12.070 -14.214 -0.300 1.00 0.38 N ATOM 1874 CA ARG A 128 13.384 -14.739 0.078 1.00 0.42 C ATOM 1875 C ARG A 128 13.289 -15.774 1.194 1.00 0.42 C ATOM 1876 O ARG A 128 13.963 -16.800 1.145 1.00 0.52 O ATOM 1877 CB ARG A 128 14.328 -13.601 0.482 1.00 0.52 C ATOM 1878 CG ARG A 128 13.712 -12.589 1.437 1.00 1.12 C ATOM 1879 CD ARG A 128 14.714 -11.515 1.819 1.00 1.41 C ATOM 1880 NE ARG A 128 14.066 -10.324 2.376 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.707 -9.181 2.640 1.00 2.33 C ATOM 1882 NH1 ARG A 128 16.029 -9.107 2.500 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.027 -8.119 3.069 1.00 3.17 N ATOM 0 H ARG A 128 11.993 -13.200 -0.222 1.00 0.38 H new ATOM 0 HA ARG A 128 13.793 -15.241 -0.799 1.00 0.42 H new ATOM 0 HB2 ARG A 128 15.216 -14.029 0.947 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.658 -13.081 -0.417 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.841 -12.128 0.971 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.361 -13.099 2.334 1.00 1.12 H new ATOM 0 HD2 ARG A 128 15.416 -11.919 2.548 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.294 -11.233 0.940 1.00 1.41 H new ATOM 0 HE ARG A 128 13.066 -10.370 2.574 1.00 1.81 H new ATOM 0 HH11 ARG A 128 16.556 -9.924 2.190 1.00 2.45 H new ATOM 0 HH12 ARG A 128 16.515 -8.233 2.702 1.00 2.45 H new ATOM 0 HH21 ARG A 128 13.017 -8.178 3.196 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.517 -7.247 3.270 1.00 3.17 H new ATOM 1897 N SER A 129 12.472 -15.505 2.202 1.00 0.42 N ATOM 1898 CA SER A 129 12.260 -16.480 3.252 1.00 0.44 C ATOM 1899 C SER A 129 11.245 -17.547 2.796 1.00 0.41 C ATOM 1900 O SER A 129 11.636 -18.696 2.586 1.00 0.44 O ATOM 1901 CB SER A 129 11.874 -15.776 4.560 1.00 0.48 C ATOM 1902 OG SER A 129 11.380 -14.468 4.303 1.00 1.23 O ATOM 0 H SER A 129 11.954 -14.633 2.312 1.00 0.42 H new ATOM 0 HA SER A 129 13.188 -17.014 3.457 1.00 0.44 H new ATOM 0 HB2 SER A 129 11.116 -16.360 5.082 1.00 0.48 H new ATOM 0 HB3 SER A 129 12.742 -15.719 5.217 1.00 0.48 H new ATOM 0 HG SER A 129 10.615 -14.287 4.887 1.00 1.23 H new ATOM 1908 N PRO A 130 9.939 -17.219 2.619 1.00 0.37 N ATOM 1909 CA PRO A 130 8.975 -18.122 2.019 1.00 0.36 C ATOM 1910 C PRO A 130 8.602 -17.705 0.603 1.00 0.32 C ATOM 1911 O PRO A 130 8.258 -16.550 0.374 1.00 0.27 O ATOM 1912 CB PRO A 130 7.744 -17.920 2.922 1.00 0.37 C ATOM 1913 CG PRO A 130 7.983 -16.622 3.649 1.00 0.37 C ATOM 1914 CD PRO A 130 9.233 -16.022 3.060 1.00 0.37 C ATOM 0 HA PRO A 130 9.352 -19.142 1.950 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.828 -17.876 2.332 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.632 -18.747 3.623 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.135 -15.948 3.527 1.00 0.37 H new ATOM 0 HG3 PRO A 130 8.103 -16.793 4.719 1.00 0.37 H new ATOM 0 HD2 PRO A 130 9.015 -15.345 2.234 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.804 -15.455 3.795 1.00 0.37 H new ATOM 1922 N TYR A 131 8.665 -18.613 -0.347 1.00 0.33 N ATOM 1923 CA TYR A 131 8.001 -18.381 -1.615 1.00 0.32 C ATOM 1924 C TYR A 131 6.533 -18.081 -1.334 1.00 0.30 C ATOM 1925 O TYR A 131 5.743 -18.985 -1.060 1.00 0.32 O ATOM 1926 CB TYR A 131 8.141 -19.596 -2.544 1.00 0.36 C ATOM 1927 CG TYR A 131 7.421 -19.444 -3.874 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.058 -19.691 -3.985 1.00 0.78 C ATOM 1929 CD2 TYR A 131 8.105 -19.038 -5.012 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.396 -19.531 -5.186 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.452 -18.880 -6.219 1.00 1.14 C ATOM 1932 CZ TYR A 131 6.096 -19.125 -6.300 1.00 0.81 C ATOM 1933 OH TYR A 131 5.438 -18.950 -7.499 1.00 1.00 O ATOM 0 H TYR A 131 9.158 -19.502 -0.271 1.00 0.33 H new ATOM 0 HA TYR A 131 8.465 -17.536 -2.124 1.00 0.32 H new ATOM 0 HB2 TYR A 131 9.199 -19.775 -2.734 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.755 -20.478 -2.032 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.506 -20.014 -3.115 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.165 -18.842 -4.953 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.335 -19.723 -5.251 1.00 0.87 H new ATOM 0 HE2 TYR A 131 8.000 -18.566 -7.095 1.00 1.14 H new ATOM 0 HH TYR A 131 6.077 -18.661 -8.184 1.00 1.00 H new ATOM 1943 N ILE A 132 6.192 -16.801 -1.337 1.00 0.27 N ATOM 1944 CA ILE A 132 4.845 -16.379 -1.023 1.00 0.26 C ATOM 1945 C ILE A 132 3.875 -16.870 -2.091 1.00 0.25 C ATOM 1946 O ILE A 132 4.143 -16.735 -3.283 1.00 0.25 O ATOM 1947 CB ILE A 132 4.737 -14.837 -0.918 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.734 -14.246 0.074 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.335 -14.444 -0.520 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.751 -14.917 1.417 1.00 0.23 C ATOM 0 H ILE A 132 6.834 -16.039 -1.554 1.00 0.27 H new ATOM 0 HA ILE A 132 4.589 -16.813 -0.056 1.00 0.26 H new ATOM 0 HB ILE A 132 4.976 -14.433 -1.902 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.733 -14.302 -0.358 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.505 -13.189 0.213 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.268 -13.358 -0.448 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.630 -14.803 -1.270 1.00 0.26 H new ATOM 0 HG23 ILE A 132 3.093 -14.887 0.446 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.488 -14.432 2.057 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.765 -14.839 1.875 1.00 0.23 H new ATOM 0 HD13 ILE A 132 6.012 -15.968 1.295 1.00 0.23 H new ATOM 1962 N PRO A 133 2.752 -17.477 -1.676 1.00 0.27 N ATOM 1963 CA PRO A 133 1.699 -17.911 -2.594 1.00 0.28 C ATOM 1964 C PRO A 133 1.277 -16.794 -3.546 1.00 0.26 C ATOM 1965 O PRO A 133 1.157 -15.631 -3.143 1.00 0.26 O ATOM 1966 CB PRO A 133 0.534 -18.298 -1.667 1.00 0.34 C ATOM 1967 CG PRO A 133 0.924 -17.830 -0.304 1.00 0.61 C ATOM 1968 CD PRO A 133 2.422 -17.804 -0.286 1.00 0.31 C ATOM 0 HA PRO A 133 2.030 -18.729 -3.233 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.395 -17.829 -1.990 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.367 -19.375 -1.678 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.515 -16.841 -0.100 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.537 -18.500 0.464 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.806 -17.057 0.409 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.841 -18.764 0.015 1.00 0.31 H new ATOM 1976 N PRO A 134 1.062 -17.124 -4.828 1.00 0.27 N ATOM 1977 CA PRO A 134 0.685 -16.137 -5.830 1.00 0.25 C ATOM 1978 C PRO A 134 -0.676 -15.520 -5.543 1.00 0.27 C ATOM 1979 O PRO A 134 -1.625 -16.220 -5.186 1.00 0.32 O ATOM 1980 CB PRO A 134 0.655 -16.920 -7.137 1.00 0.29 C ATOM 1981 CG PRO A 134 0.456 -18.339 -6.722 1.00 0.52 C ATOM 1982 CD PRO A 134 1.157 -18.479 -5.397 1.00 0.33 C ATOM 0 HA PRO A 134 1.383 -15.300 -5.850 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.153 -16.579 -7.784 1.00 0.29 H new ATOM 0 HB3 PRO A 134 1.584 -16.797 -7.694 1.00 0.29 H new ATOM 0 HG2 PRO A 134 -0.604 -18.575 -6.631 1.00 0.52 H new ATOM 0 HG3 PRO A 134 0.873 -19.025 -7.460 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.673 -19.219 -4.760 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.193 -18.794 -5.520 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.742 -14.200 -5.688 1.00 0.26 N ATOM 1991 CA HIS A 135 -1.974 -13.429 -5.476 1.00 0.31 C ATOM 1992 C HIS A 135 -2.361 -13.337 -3.998 1.00 0.32 C ATOM 1993 O HIS A 135 -3.425 -12.815 -3.666 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.161 -14.004 -6.267 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.095 -13.806 -7.753 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.885 -12.899 -8.427 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -2.350 -14.424 -8.703 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.635 -12.970 -9.720 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -2.704 -13.885 -9.914 1.00 2.25 N ATOM 0 H HIS A 135 0.058 -13.628 -5.957 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.752 -12.427 -5.843 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.230 -15.072 -6.062 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.079 -13.548 -5.896 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -1.614 -15.197 -8.537 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -4.111 -12.380 -10.489 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -2.311 -14.149 -10.818 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.513 -13.839 -3.112 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.781 -13.731 -1.685 1.00 0.24 C ATOM 2010 C ALA A 136 -1.562 -12.299 -1.233 1.00 0.21 C ATOM 2011 O ALA A 136 -0.498 -11.731 -1.455 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.899 -14.686 -0.898 1.00 0.26 C ATOM 0 H ALA A 136 -0.645 -14.319 -3.351 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.819 -14.006 -1.497 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.116 -14.589 0.166 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.096 -15.710 -1.216 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.149 -14.446 -1.078 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.560 -11.714 -0.603 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.481 -10.309 -0.247 1.00 0.19 C ATOM 2020 C ALA A 137 -1.529 -10.117 0.925 1.00 0.16 C ATOM 2021 O ALA A 137 -1.778 -10.594 2.033 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.861 -9.742 0.067 1.00 0.22 C ATOM 0 H ALA A 137 -3.425 -12.180 -0.329 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.090 -9.759 -1.103 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.770 -8.688 0.330 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.504 -9.843 -0.808 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.297 -10.288 0.903 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.426 -9.444 0.657 1.00 0.13 N ATOM 2029 CA LEU A 138 0.603 -9.226 1.648 1.00 0.12 C ATOM 2030 C LEU A 138 0.332 -7.967 2.447 1.00 0.13 C ATOM 2031 O LEU A 138 0.032 -6.915 1.879 1.00 0.15 O ATOM 2032 CB LEU A 138 1.956 -9.115 0.967 1.00 0.13 C ATOM 2033 CG LEU A 138 2.946 -10.183 1.389 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.348 -11.553 1.176 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.249 -10.048 0.628 1.00 0.19 C ATOM 0 H LEU A 138 -0.221 -9.034 -0.254 1.00 0.13 H new ATOM 0 HA LEU A 138 0.603 -10.075 2.332 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.814 -9.171 -0.112 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.381 -8.134 1.182 1.00 0.13 H new ATOM 0 HG LEU A 138 3.163 -10.052 2.449 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.065 -12.315 1.482 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.440 -11.650 1.771 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.106 -11.685 0.121 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.941 -10.826 0.950 1.00 0.19 H new ATOM 0 HD22 LEU A 138 4.059 -10.151 -0.440 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.686 -9.069 0.826 1.00 0.19 H new ATOM 2047 N CYS A 139 0.443 -8.065 3.761 1.00 0.13 N ATOM 2048 CA CYS A 139 0.231 -6.910 4.605 1.00 0.14 C ATOM 2049 C CYS A 139 1.517 -6.565 5.353 1.00 0.13 C ATOM 2050 O CYS A 139 1.885 -7.184 6.352 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.955 -7.151 5.542 1.00 0.18 C ATOM 2052 SG CYS A 139 -0.758 -8.476 6.741 1.00 1.20 S ATOM 0 H CYS A 139 0.676 -8.924 4.259 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.022 -6.045 3.991 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.159 -6.227 6.082 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -1.834 -7.366 4.935 1.00 0.18 H new ATOM 0 HG CYS A 139 -1.288 -9.567 6.273 1.00 1.20 H new ATOM 2058 N LEU A 140 2.213 -5.574 4.832 1.00 0.13 N ATOM 2059 CA LEU A 140 3.536 -5.220 5.316 1.00 0.14 C ATOM 2060 C LEU A 140 3.553 -3.833 5.936 1.00 0.13 C ATOM 2061 O LEU A 140 2.948 -2.904 5.409 1.00 0.12 O ATOM 2062 CB LEU A 140 4.557 -5.270 4.182 1.00 0.17 C ATOM 2063 CG LEU A 140 4.165 -4.512 2.911 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.375 -3.777 2.359 1.00 0.26 C ATOM 2065 CD2 LEU A 140 3.608 -5.468 1.867 1.00 0.32 C ATOM 0 H LEU A 140 1.880 -4.992 4.063 1.00 0.13 H new ATOM 0 HA LEU A 140 3.801 -5.949 6.082 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.501 -4.867 4.548 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.735 -6.313 3.922 1.00 0.17 H new ATOM 0 HG LEU A 140 3.389 -3.788 3.159 1.00 0.17 H new ATOM 0 HD11 LEU A 140 5.092 -3.239 1.454 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.741 -3.069 3.103 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.161 -4.495 2.123 1.00 0.26 H new ATOM 0 HD21 LEU A 140 3.335 -4.910 0.971 1.00 0.32 H new ATOM 0 HD22 LEU A 140 4.364 -6.212 1.615 1.00 0.32 H new ATOM 0 HD23 LEU A 140 2.725 -5.968 2.266 1.00 0.32 H new ATOM 2077 N GLU A 141 4.238 -3.703 7.056 1.00 0.14 N ATOM 2078 CA GLU A 141 4.401 -2.412 7.694 1.00 0.13 C ATOM 2079 C GLU A 141 5.807 -1.910 7.404 1.00 0.12 C ATOM 2080 O GLU A 141 6.788 -2.533 7.814 1.00 0.15 O ATOM 2081 CB GLU A 141 4.163 -2.536 9.200 1.00 0.18 C ATOM 2082 CG GLU A 141 4.399 -1.256 9.976 1.00 0.26 C ATOM 2083 CD GLU A 141 4.450 -1.495 11.469 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.402 -1.826 12.058 1.00 1.00 O ATOM 2085 OE2 GLU A 141 5.544 -1.377 12.053 1.00 1.05 O ATOM 0 H GLU A 141 4.691 -4.477 7.543 1.00 0.14 H new ATOM 0 HA GLU A 141 3.674 -1.701 7.302 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.138 -2.865 9.368 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.816 -3.313 9.597 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.335 -0.803 9.650 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.605 -0.544 9.750 1.00 0.26 H new ATOM 2092 N VAL A 142 5.901 -0.821 6.659 1.00 0.12 N ATOM 2093 CA VAL A 142 7.184 -0.305 6.222 1.00 0.12 C ATOM 2094 C VAL A 142 7.525 1.028 6.883 1.00 0.12 C ATOM 2095 O VAL A 142 6.793 2.010 6.762 1.00 0.15 O ATOM 2096 CB VAL A 142 7.245 -0.157 4.689 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.521 -1.501 4.039 1.00 0.19 C ATOM 2098 CG2 VAL A 142 5.952 0.429 4.146 1.00 0.19 C ATOM 0 H VAL A 142 5.098 -0.276 6.344 1.00 0.12 H new ATOM 0 HA VAL A 142 7.928 -1.039 6.533 1.00 0.12 H new ATOM 0 HB VAL A 142 8.059 0.527 4.449 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.561 -1.380 2.956 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.475 -1.889 4.396 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.725 -2.200 4.297 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.022 0.523 3.062 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.120 -0.227 4.400 1.00 0.19 H new ATOM 0 HG23 VAL A 142 5.786 1.413 4.585 1.00 0.19 H new ATOM 2108 N THR A 143 8.630 1.031 7.612 1.00 0.13 N ATOM 2109 CA THR A 143 9.170 2.238 8.210 1.00 0.13 C ATOM 2110 C THR A 143 10.232 2.841 7.305 1.00 0.12 C ATOM 2111 O THR A 143 11.287 2.240 7.095 1.00 0.15 O ATOM 2112 CB THR A 143 9.815 1.940 9.578 1.00 0.17 C ATOM 2113 OG1 THR A 143 8.962 1.072 10.339 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.054 3.233 10.350 1.00 0.22 C ATOM 0 H THR A 143 9.178 0.193 7.805 1.00 0.13 H new ATOM 0 HA THR A 143 8.343 2.935 8.343 1.00 0.13 H new ATOM 0 HB THR A 143 10.775 1.451 9.411 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.377 0.884 11.207 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.510 3.003 11.313 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.720 3.880 9.779 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.104 3.742 10.511 1.00 0.22 H new ATOM 2122 N LEU A 144 9.948 4.006 6.755 1.00 0.13 N ATOM 2123 CA LEU A 144 10.935 4.730 5.976 1.00 0.12 C ATOM 2124 C LEU A 144 11.803 5.534 6.914 1.00 0.12 C ATOM 2125 O LEU A 144 11.423 6.610 7.373 1.00 0.14 O ATOM 2126 CB LEU A 144 10.248 5.628 4.951 1.00 0.14 C ATOM 2127 CG LEU A 144 11.185 6.454 4.072 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.104 5.549 3.268 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.380 7.353 3.153 1.00 0.13 C ATOM 0 H LEU A 144 9.044 4.471 6.833 1.00 0.13 H new ATOM 0 HA LEU A 144 11.562 4.028 5.427 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.627 5.006 4.306 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.579 6.308 5.479 1.00 0.14 H new ATOM 0 HG LEU A 144 11.805 7.079 4.715 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.763 6.157 2.649 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.702 4.942 3.947 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.506 4.898 2.630 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.058 7.938 2.531 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.739 6.743 2.517 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.764 8.026 3.750 1.00 0.13 H new ATOM 2141 N LYS A 145 12.960 4.985 7.214 1.00 0.14 N ATOM 2142 CA LYS A 145 13.804 5.530 8.257 1.00 0.17 C ATOM 2143 C LYS A 145 14.888 6.422 7.678 1.00 0.16 C ATOM 2144 O LYS A 145 15.388 7.320 8.355 1.00 0.21 O ATOM 2145 CB LYS A 145 14.434 4.390 9.058 1.00 0.26 C ATOM 2146 CG LYS A 145 13.457 3.275 9.386 1.00 0.40 C ATOM 2147 CD LYS A 145 14.140 2.123 10.097 1.00 0.60 C ATOM 2148 CE LYS A 145 15.223 1.504 9.233 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.119 0.625 10.024 1.00 1.08 N ATOM 0 H LYS A 145 13.339 4.160 6.750 1.00 0.14 H new ATOM 0 HA LYS A 145 13.185 6.139 8.916 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.270 3.977 8.493 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.843 4.790 9.986 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.656 3.666 10.013 1.00 0.40 H new ATOM 0 HG3 LYS A 145 12.995 2.913 8.467 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.576 2.477 11.031 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.402 1.364 10.357 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.763 0.928 8.430 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.809 2.293 8.763 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.110 0.854 9.807 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 15.944 0.773 11.038 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 15.932 -0.369 9.782 1.00 1.08 H new ATOM 2163 N THR A 146 15.262 6.174 6.428 1.00 0.16 N ATOM 2164 CA THR A 146 16.330 6.936 5.808 1.00 0.19 C ATOM 2165 C THR A 146 16.186 6.980 4.288 1.00 0.17 C ATOM 2166 O THR A 146 15.644 6.058 3.677 1.00 0.16 O ATOM 2167 CB THR A 146 17.705 6.335 6.167 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.804 6.157 7.585 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.849 7.223 5.689 1.00 0.37 C ATOM 0 H THR A 146 14.845 5.459 5.833 1.00 0.16 H new ATOM 0 HA THR A 146 16.260 7.953 6.193 1.00 0.19 H new ATOM 0 HB THR A 146 17.787 5.372 5.663 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.678 5.774 7.806 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.801 6.767 5.960 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.795 7.334 4.606 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.769 8.203 6.159 1.00 0.37 H new ATOM 2177 N ALA A 147 16.666 8.068 3.696 1.00 0.20 N ATOM 2178 CA ALA A 147 16.744 8.207 2.251 1.00 0.19 C ATOM 2179 C ALA A 147 18.007 8.974 1.884 1.00 0.22 C ATOM 2180 O ALA A 147 18.250 10.053 2.424 1.00 0.25 O ATOM 2181 CB ALA A 147 15.512 8.930 1.722 1.00 0.21 C ATOM 0 H ALA A 147 17.012 8.879 4.208 1.00 0.20 H new ATOM 0 HA ALA A 147 16.781 7.217 1.796 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.584 9.027 0.639 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.618 8.360 1.977 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.451 9.921 2.172 1.00 0.21 H new ATOM 2187 N VAL A 148 18.812 8.431 0.977 1.00 0.24 N ATOM 2188 CA VAL A 148 20.061 9.081 0.594 1.00 0.31 C ATOM 2189 C VAL A 148 20.123 9.260 -0.917 1.00 0.34 C ATOM 2190 O VAL A 148 19.735 8.372 -1.674 1.00 0.36 O ATOM 2191 CB VAL A 148 21.303 8.295 1.088 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.208 8.045 2.582 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.469 6.978 0.345 1.00 0.75 C ATOM 0 H VAL A 148 18.625 7.551 0.497 1.00 0.24 H new ATOM 0 HA VAL A 148 20.078 10.059 1.076 1.00 0.31 H new ATOM 0 HB VAL A 148 22.182 8.905 0.881 1.00 0.42 H new ATOM 0 HG11 VAL A 148 22.087 7.492 2.915 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.158 8.998 3.108 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.311 7.464 2.797 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.350 6.457 0.720 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.587 6.358 0.502 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.589 7.174 -0.720 1.00 0.75 H new ATOM 2203 N ASP A 149 20.592 10.411 -1.358 1.00 0.44 N ATOM 2204 CA ASP A 149 20.659 10.691 -2.784 1.00 0.52 C ATOM 2205 C ASP A 149 21.968 10.169 -3.362 1.00 0.66 C ATOM 2206 O ASP A 149 23.050 10.553 -2.913 1.00 0.79 O ATOM 2207 CB ASP A 149 20.509 12.190 -3.058 1.00 0.68 C ATOM 2208 CG ASP A 149 20.846 12.561 -4.496 1.00 1.41 C ATOM 2209 OD1 ASP A 149 20.260 11.961 -5.423 1.00 2.27 O ATOM 2210 OD2 ASP A 149 21.704 13.448 -4.704 1.00 1.61 O ATOM 0 H ASP A 149 20.930 11.163 -0.758 1.00 0.44 H new ATOM 0 HA ASP A 149 19.831 10.177 -3.272 1.00 0.52 H new ATOM 0 HB2 ASP A 149 19.486 12.495 -2.839 1.00 0.68 H new ATOM 0 HB3 ASP A 149 21.159 12.746 -2.382 1.00 0.68 H new ATOM 2215 N LEU A 150 21.864 9.279 -4.341 1.00 0.68 N ATOM 2216 CA LEU A 150 23.039 8.657 -4.928 1.00 0.89 C ATOM 2217 C LEU A 150 22.787 8.336 -6.400 1.00 0.96 C ATOM 2218 O LEU A 150 23.540 7.592 -7.024 1.00 1.38 O ATOM 2219 CB LEU A 150 23.379 7.376 -4.157 1.00 1.00 C ATOM 2220 CG LEU A 150 24.806 6.861 -4.337 1.00 1.09 C ATOM 2221 CD1 LEU A 150 25.799 7.870 -3.777 1.00 1.81 C ATOM 2222 CD2 LEU A 150 24.969 5.506 -3.666 1.00 1.97 C ATOM 0 H LEU A 150 20.978 8.973 -4.743 1.00 0.68 H new ATOM 0 HA LEU A 150 23.880 9.348 -4.864 1.00 0.89 H new ATOM 0 HB2 LEU A 150 23.207 7.555 -3.096 1.00 1.00 H new ATOM 0 HB3 LEU A 150 22.687 6.592 -4.465 1.00 1.00 H new ATOM 0 HG LEU A 150 25.006 6.736 -5.401 1.00 1.09 H new ATOM 0 HD11 LEU A 150 26.814 7.494 -3.910 1.00 1.81 H new ATOM 0 HD12 LEU A 150 25.691 8.818 -4.304 1.00 1.81 H new ATOM 0 HD13 LEU A 150 25.604 8.021 -2.715 1.00 1.81 H new ATOM 0 HD21 LEU A 150 25.991 5.153 -3.803 1.00 1.97 H new ATOM 0 HD22 LEU A 150 24.757 5.600 -2.601 1.00 1.97 H new ATOM 0 HD23 LEU A 150 24.276 4.793 -4.112 1.00 1.97 H new ATOM 2234 N GLU A 151 21.726 8.912 -6.953 1.00 0.72 N ATOM 2235 CA GLU A 151 21.322 8.623 -8.319 1.00 0.79 C ATOM 2236 C GLU A 151 21.050 9.915 -9.075 1.00 1.44 C ATOM 2237 O GLU A 151 20.578 10.890 -8.495 1.00 2.14 O ATOM 2238 CB GLU A 151 20.067 7.754 -8.301 1.00 0.57 C ATOM 2239 CG GLU A 151 19.541 7.371 -9.673 1.00 0.60 C ATOM 2240 CD GLU A 151 20.550 6.565 -10.469 1.00 0.92 C ATOM 2241 OE1 GLU A 151 21.410 7.171 -11.131 1.00 1.32 O ATOM 2242 OE2 GLU A 151 20.468 5.316 -10.445 1.00 1.57 O ATOM 0 H GLU A 151 21.129 9.585 -6.472 1.00 0.72 H new ATOM 0 HA GLU A 151 22.127 8.090 -8.825 1.00 0.79 H new ATOM 0 HB2 GLU A 151 20.280 6.843 -7.741 1.00 0.57 H new ATOM 0 HB3 GLU A 151 19.282 8.284 -7.761 1.00 0.57 H new ATOM 0 HG2 GLU A 151 18.624 6.792 -9.560 1.00 0.60 H new ATOM 0 HG3 GLU A 151 19.282 8.274 -10.226 1.00 0.60 H new ATOM 2249 N HIS A 152 21.342 9.923 -10.367 1.00 2.00 N ATOM 2250 CA HIS A 152 21.102 11.100 -11.185 1.00 2.74 C ATOM 2251 C HIS A 152 19.609 11.231 -11.495 1.00 3.34 C ATOM 2252 O HIS A 152 19.033 10.414 -12.218 1.00 4.01 O ATOM 2253 CB HIS A 152 21.946 11.062 -12.478 1.00 3.58 C ATOM 2254 CG HIS A 152 21.538 10.033 -13.503 1.00 4.23 C ATOM 2255 ND1 HIS A 152 21.571 8.671 -13.281 1.00 4.97 N ATOM 2256 CD2 HIS A 152 21.082 10.188 -14.769 1.00 4.78 C ATOM 2257 CE1 HIS A 152 21.161 8.038 -14.363 1.00 5.79 C ATOM 2258 NE2 HIS A 152 20.858 8.935 -15.278 1.00 5.71 N ATOM 0 H HIS A 152 21.744 9.131 -10.869 1.00 2.00 H new ATOM 0 HA HIS A 152 21.413 11.981 -10.624 1.00 2.74 H new ATOM 0 HB2 HIS A 152 21.905 12.046 -12.944 1.00 3.58 H new ATOM 0 HB3 HIS A 152 22.986 10.882 -12.205 1.00 3.58 H new ATOM 0 HD1 HIS A 152 21.867 8.223 -12.414 1.00 4.97 H new ATOM 0 HD2 HIS A 152 20.924 11.125 -15.282 1.00 4.78 H new ATOM 0 HE1 HIS A 152 21.087 6.967 -14.479 1.00 5.79 H new ATOM 2267 N HIS A 153 18.967 12.233 -10.912 1.00 3.70 N ATOM 2268 CA HIS A 153 17.555 12.467 -11.180 1.00 4.77 C ATOM 2269 C HIS A 153 17.392 13.426 -12.350 1.00 5.09 C ATOM 2270 O HIS A 153 16.826 13.070 -13.377 1.00 5.37 O ATOM 2271 CB HIS A 153 16.830 13.006 -9.941 1.00 5.63 C ATOM 2272 CG HIS A 153 15.358 13.208 -10.162 1.00 6.19 C ATOM 2273 ND1 HIS A 153 14.723 14.414 -9.963 1.00 6.78 N ATOM 2274 CD2 HIS A 153 14.395 12.346 -10.577 1.00 6.64 C ATOM 2275 CE1 HIS A 153 13.439 14.288 -10.247 1.00 7.48 C ATOM 2276 NE2 HIS A 153 13.212 13.043 -10.623 1.00 7.41 N ATOM 0 H HIS A 153 19.394 12.889 -10.259 1.00 3.70 H new ATOM 0 HA HIS A 153 17.101 11.511 -11.440 1.00 4.77 H new ATOM 0 HB2 HIS A 153 16.975 12.313 -9.112 1.00 5.63 H new ATOM 0 HB3 HIS A 153 17.281 13.954 -9.647 1.00 5.63 H new ATOM 0 HD2 HIS A 153 14.533 11.304 -10.825 1.00 6.64 H new ATOM 0 HE1 HIS A 153 12.699 15.072 -10.182 1.00 7.48 H new ATOM 0 HE2 HIS A 153 12.308 12.662 -10.902 1.00 7.41 H new ATOM 2285 N HIS A 154 17.889 14.642 -12.195 1.00 5.42 N ATOM 2286 CA HIS A 154 17.819 15.620 -13.271 1.00 6.05 C ATOM 2287 C HIS A 154 18.944 16.635 -13.150 1.00 6.57 C ATOM 2288 O HIS A 154 19.009 17.387 -12.180 1.00 7.00 O ATOM 2289 CB HIS A 154 16.463 16.337 -13.270 1.00 6.58 C ATOM 2290 CG HIS A 154 16.186 17.073 -14.545 1.00 7.19 C ATOM 2291 ND1 HIS A 154 16.153 18.444 -14.636 1.00 7.60 N ATOM 2292 CD2 HIS A 154 15.930 16.610 -15.791 1.00 7.78 C ATOM 2293 CE1 HIS A 154 15.888 18.793 -15.878 1.00 8.35 C ATOM 2294 NE2 HIS A 154 15.751 17.700 -16.599 1.00 8.46 N ATOM 0 H HIS A 154 18.341 14.975 -11.344 1.00 5.42 H new ATOM 0 HA HIS A 154 17.929 15.086 -14.215 1.00 6.05 H new ATOM 0 HB2 HIS A 154 15.672 15.606 -13.100 1.00 6.58 H new ATOM 0 HB3 HIS A 154 16.431 17.040 -12.438 1.00 6.58 H new ATOM 0 HD2 HIS A 154 15.877 15.574 -16.091 1.00 7.78 H new ATOM 0 HE1 HIS A 154 15.798 19.805 -16.243 1.00 8.35 H new ATOM 0 HE2 HIS A 154 15.545 17.670 -17.598 1.00 8.46 H new ATOM 2303 N HIS A 155 19.830 16.641 -14.135 1.00 6.86 N ATOM 2304 CA HIS A 155 20.934 17.586 -14.171 1.00 7.69 C ATOM 2305 C HIS A 155 20.519 18.846 -14.926 1.00 8.40 C ATOM 2306 O HIS A 155 20.360 18.823 -16.144 1.00 8.69 O ATOM 2307 CB HIS A 155 22.160 16.939 -14.835 1.00 7.95 C ATOM 2308 CG HIS A 155 23.341 17.855 -14.990 1.00 8.17 C ATOM 2309 ND1 HIS A 155 24.271 18.070 -13.995 1.00 8.40 N ATOM 2310 CD2 HIS A 155 23.747 18.602 -16.047 1.00 8.48 C ATOM 2311 CE1 HIS A 155 25.197 18.908 -14.435 1.00 8.78 C ATOM 2312 NE2 HIS A 155 24.901 19.242 -15.678 1.00 8.83 N ATOM 0 H HIS A 155 19.804 15.996 -14.925 1.00 6.86 H new ATOM 0 HA HIS A 155 21.198 17.864 -13.151 1.00 7.69 H new ATOM 0 HB2 HIS A 155 22.462 16.074 -14.245 1.00 7.95 H new ATOM 0 HB3 HIS A 155 21.872 16.569 -15.819 1.00 7.95 H new ATOM 0 HD2 HIS A 155 23.252 18.678 -17.004 1.00 8.48 H new ATOM 0 HE1 HIS A 155 26.050 19.259 -13.873 1.00 8.78 H new ATOM 0 HE2 HIS A 155 25.443 19.874 -16.267 1.00 8.83 H new ATOM 2321 N HIS A 156 20.311 19.931 -14.196 1.00 8.92 N ATOM 2322 CA HIS A 156 19.978 21.213 -14.805 1.00 9.83 C ATOM 2323 C HIS A 156 21.217 21.856 -15.419 1.00 10.27 C ATOM 2324 O HIS A 156 22.323 21.724 -14.891 1.00 10.47 O ATOM 2325 CB HIS A 156 19.358 22.157 -13.763 1.00 10.32 C ATOM 2326 CG HIS A 156 19.164 23.566 -14.257 1.00 10.97 C ATOM 2327 ND1 HIS A 156 18.047 23.978 -14.944 1.00 11.47 N ATOM 2328 CD2 HIS A 156 19.975 24.649 -14.179 1.00 11.42 C ATOM 2329 CE1 HIS A 156 18.179 25.248 -15.272 1.00 12.17 C ATOM 2330 NE2 HIS A 156 19.343 25.684 -14.823 1.00 12.15 N ATOM 0 H HIS A 156 20.367 19.951 -13.178 1.00 8.92 H new ATOM 0 HA HIS A 156 19.250 21.034 -15.596 1.00 9.83 H new ATOM 0 HB2 HIS A 156 18.394 21.755 -13.451 1.00 10.32 H new ATOM 0 HB3 HIS A 156 19.996 22.177 -12.879 1.00 10.32 H new ATOM 0 HD2 HIS A 156 20.941 24.690 -13.698 1.00 11.42 H new ATOM 0 HE1 HIS A 156 17.455 25.835 -15.818 1.00 12.17 H new ATOM 0 HE2 HIS A 156 19.710 26.629 -14.936 1.00 12.15 H new ATOM 2339 N HIS A 157 21.020 22.550 -16.530 1.00 10.63 N ATOM 2340 CA HIS A 157 22.088 23.298 -17.160 1.00 11.28 C ATOM 2341 C HIS A 157 21.554 24.640 -17.647 1.00 11.64 C ATOM 2342 O HIS A 157 21.571 25.607 -16.858 1.00 11.96 O ATOM 2343 CB HIS A 157 22.683 22.500 -18.324 1.00 11.62 C ATOM 2344 CG HIS A 157 23.926 23.115 -18.888 1.00 12.24 C ATOM 2345 ND1 HIS A 157 24.057 23.490 -20.208 1.00 12.87 N ATOM 2346 CD2 HIS A 157 25.102 23.419 -18.295 1.00 12.51 C ATOM 2347 CE1 HIS A 157 25.258 24.000 -20.400 1.00 13.46 C ATOM 2348 NE2 HIS A 157 25.912 23.967 -19.254 1.00 13.27 N ATOM 2349 OXT HIS A 157 21.092 24.705 -18.800 1.00 11.78 O ATOM 0 H HIS A 157 20.124 22.608 -17.013 1.00 10.63 H new ATOM 0 HA HIS A 157 22.879 23.476 -16.431 1.00 11.28 H new ATOM 0 HB2 HIS A 157 22.908 21.489 -17.985 1.00 11.62 H new ATOM 0 HB3 HIS A 157 21.938 22.413 -19.115 1.00 11.62 H new ATOM 0 HD2 HIS A 157 25.356 23.259 -17.257 1.00 12.51 H new ATOM 0 HE1 HIS A 157 25.641 24.380 -21.336 1.00 13.46 H new ATOM 0 HE2 HIS A 157 26.866 24.296 -19.106 1.00 13.27 H new TER 2358 HIS A 157