USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 770 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 26 HIS : no HD1:sc= -2.52 X(o=-3.2,f=-2.9!) USER MOD Set 1.2: A 55 THR OG1 : rot 120:sc= -0.717 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.124 K(o=-0.13,f=-2.2) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.0031 X(o=-0.13,f=-0.12) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -156:sc= 0.386 (180deg=0.106) USER MOD Set 3.2: A 30 TYR OH : rot 164:sc= -0.035 USER MOD Set 3.3: A 71 SER OG : rot -90:sc= 0.998 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -122:sc= 1.42 (180deg=-0.29) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00693 USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0218) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -3.04 K(o=-3,f=-8.2!) USER MOD Single : A 16 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.7!) USER MOD Single : A 17 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.52) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 33:sc= 0.0625 USER MOD Single : A 21 THR OG1 : rot 30:sc= -0.196 USER MOD Single : A 27 HIS : no HD1:sc= -0.54 K(o=-0.54,f=-1.7) USER MOD Single : A 33 THR OG1 : rot -70:sc= -0.351 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -43:sc= 1.18 USER MOD Single : A 80 HIS : no HD1:sc= -2.95 X(o=-2.9,f=-2.8) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= 0.376 (180deg=0.257) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -2.11 (180deg=-2.11) USER MOD Single : A 95 HEM CMB :methyl -30:sc= -9.37! (180deg=-9.61!) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -5.99! (180deg=-5.99!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -0.0427 (180deg=-0.114) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -20.901 -11.477 -0.895 1.00 15.24 N ATOM 2 CA ASP A 1 -21.375 -10.239 -0.245 1.00 13.52 C ATOM 3 C ASP A 1 -20.267 -9.240 -0.482 1.00 11.88 C ATOM 4 O ASP A 1 -19.222 -9.627 -1.000 1.00 12.31 O ATOM 5 CB ASP A 1 -22.743 -9.756 -0.772 1.00 14.28 C ATOM 6 CG ASP A 1 -22.843 -9.850 -2.289 1.00 15.93 C ATOM 7 OD1 ASP A 1 -22.615 -10.984 -2.765 1.00 16.95 O ATOM 8 OD2 ASP A 1 -23.095 -8.808 -2.928 1.00 16.37 O ATOM 0 H1 ASP A 1 -21.589 -11.776 -1.615 1.00 15.24 H new ATOM 0 H2 ASP A 1 -19.981 -11.301 -1.347 1.00 15.24 H new ATOM 0 H3 ASP A 1 -20.799 -12.227 -0.181 1.00 15.24 H new ATOM 0 HA ASP A 1 -21.565 -10.393 0.817 1.00 13.52 H new ATOM 0 HB2 ASP A 1 -23.535 -10.353 -0.320 1.00 14.28 H new ATOM 0 HB3 ASP A 1 -22.905 -8.724 -0.462 1.00 14.28 H new ATOM 15 N LYS A 2 -20.441 -7.979 -0.120 1.00 10.34 N ATOM 16 CA LYS A 2 -19.407 -7.020 -0.435 1.00 9.18 C ATOM 17 C LYS A 2 -19.720 -5.741 0.310 1.00 7.43 C ATOM 18 O LYS A 2 -20.461 -4.896 -0.183 1.00 7.67 O ATOM 19 CB LYS A 2 -19.308 -6.809 -1.951 1.00 10.36 C ATOM 20 CG LYS A 2 -20.674 -6.606 -2.628 1.00 11.52 C ATOM 21 CD LYS A 2 -20.605 -5.508 -3.693 1.00 12.42 C ATOM 22 CE LYS A 2 -21.647 -4.427 -3.402 1.00 12.87 C ATOM 23 NZ LYS A 2 -22.897 -4.660 -4.155 1.00 14.08 N ATOM 0 H LYS A 2 -21.255 -7.610 0.372 1.00 10.34 H new ATOM 0 HA LYS A 2 -18.430 -7.384 -0.118 1.00 9.18 H new ATOM 0 HB2 LYS A 2 -18.679 -5.941 -2.150 1.00 10.36 H new ATOM 0 HB3 LYS A 2 -18.813 -7.670 -2.399 1.00 10.36 H new ATOM 0 HG2 LYS A 2 -20.999 -7.540 -3.086 1.00 11.52 H new ATOM 0 HG3 LYS A 2 -21.419 -6.343 -1.878 1.00 11.52 H new ATOM 0 HD2 LYS A 2 -19.608 -5.068 -3.709 1.00 12.42 H new ATOM 0 HD3 LYS A 2 -20.780 -5.936 -4.680 1.00 12.42 H new ATOM 0 HE2 LYS A 2 -21.863 -4.407 -2.334 1.00 12.87 H new ATOM 0 HE3 LYS A 2 -21.241 -3.450 -3.663 1.00 12.87 H new ATOM 0 HZ1 LYS A 2 -23.581 -3.908 -3.934 1.00 14.08 H new ATOM 0 HZ2 LYS A 2 -22.694 -4.654 -5.175 1.00 14.08 H new ATOM 0 HZ3 LYS A 2 -23.297 -5.582 -3.887 1.00 14.08 H new ATOM 37 N ASP A 3 -19.181 -5.634 1.519 1.00 6.20 N ATOM 38 CA ASP A 3 -19.441 -4.509 2.402 1.00 5.06 C ATOM 39 C ASP A 3 -18.105 -3.926 2.844 1.00 4.03 C ATOM 40 O ASP A 3 -17.833 -3.758 4.030 1.00 4.46 O ATOM 41 CB ASP A 3 -20.309 -4.957 3.584 1.00 5.75 C ATOM 42 CG ASP A 3 -21.161 -3.799 4.101 1.00 6.06 C ATOM 43 OD1 ASP A 3 -20.737 -2.635 3.928 1.00 5.92 O ATOM 44 OD2 ASP A 3 -22.260 -4.100 4.612 1.00 7.07 O ATOM 0 H ASP A 3 -18.549 -6.330 1.914 1.00 6.20 H new ATOM 0 HA ASP A 3 -20.000 -3.729 1.885 1.00 5.06 H new ATOM 0 HB2 ASP A 3 -20.954 -5.780 3.276 1.00 5.75 H new ATOM 0 HB3 ASP A 3 -19.674 -5.333 4.386 1.00 5.75 H new ATOM 49 N VAL A 4 -17.196 -3.732 1.888 1.00 2.92 N ATOM 50 CA VAL A 4 -15.865 -3.267 2.189 1.00 2.10 C ATOM 51 C VAL A 4 -15.577 -2.100 1.256 1.00 1.49 C ATOM 52 O VAL A 4 -16.428 -1.244 1.027 1.00 1.87 O ATOM 53 CB VAL A 4 -14.851 -4.425 2.081 1.00 1.55 C ATOM 54 CG1 VAL A 4 -13.584 -4.036 2.861 1.00 2.02 C ATOM 55 CG2 VAL A 4 -15.399 -5.757 2.602 1.00 2.16 C ATOM 0 H VAL A 4 -17.370 -3.894 0.896 1.00 2.92 H new ATOM 0 HA VAL A 4 -15.777 -2.914 3.217 1.00 2.10 H new ATOM 0 HB VAL A 4 -14.631 -4.579 1.025 1.00 1.55 H new ATOM 0 HG11 VAL A 4 -12.855 -4.843 2.796 1.00 2.02 H new ATOM 0 HG12 VAL A 4 -13.159 -3.128 2.434 1.00 2.02 H new ATOM 0 HG13 VAL A 4 -13.839 -3.861 3.906 1.00 2.02 H new ATOM 0 HG21 VAL A 4 -14.637 -6.530 2.498 1.00 2.16 H new ATOM 0 HG22 VAL A 4 -15.669 -5.653 3.653 1.00 2.16 H new ATOM 0 HG23 VAL A 4 -16.281 -6.037 2.027 1.00 2.16 H new ATOM 65 N LYS A 5 -14.365 -2.056 0.721 1.00 1.01 N ATOM 66 CA LYS A 5 -13.932 -1.006 -0.172 1.00 0.60 C ATOM 67 C LYS A 5 -13.842 -1.523 -1.580 1.00 0.71 C ATOM 68 O LYS A 5 -14.450 -0.906 -2.440 1.00 1.73 O ATOM 69 CB LYS A 5 -12.645 -0.401 0.340 1.00 1.11 C ATOM 70 CG LYS A 5 -12.976 0.639 1.422 1.00 1.90 C ATOM 71 CD LYS A 5 -13.084 2.029 0.800 1.00 2.00 C ATOM 72 CE LYS A 5 -12.765 3.114 1.826 1.00 3.19 C ATOM 73 NZ LYS A 5 -13.520 4.353 1.543 1.00 3.62 N ATOM 0 H LYS A 5 -13.650 -2.761 0.901 1.00 1.01 H new ATOM 0 HA LYS A 5 -14.666 -0.201 -0.196 1.00 0.60 H new ATOM 0 HB2 LYS A 5 -12.001 -1.179 0.750 1.00 1.11 H new ATOM 0 HB3 LYS A 5 -12.098 0.068 -0.478 1.00 1.11 H new ATOM 0 HG2 LYS A 5 -13.914 0.378 1.913 1.00 1.90 H new ATOM 0 HG3 LYS A 5 -12.202 0.635 2.190 1.00 1.90 H new ATOM 0 HD2 LYS A 5 -12.398 2.108 -0.043 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -14.090 2.179 0.408 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -13.009 2.756 2.826 1.00 3.19 H new ATOM 0 HE3 LYS A 5 -11.696 3.326 1.816 1.00 3.19 H new ATOM 0 HZ1 LYS A 5 -13.284 5.073 2.255 1.00 3.62 H new ATOM 0 HZ2 LYS A 5 -13.267 4.705 0.598 1.00 3.62 H new ATOM 0 HZ3 LYS A 5 -14.540 4.153 1.577 1.00 3.62 H new ATOM 87 N TYR A 6 -13.159 -2.655 -1.774 1.00 0.73 N ATOM 88 CA TYR A 6 -13.008 -3.321 -3.052 1.00 0.60 C ATOM 89 C TYR A 6 -12.782 -2.315 -4.176 1.00 0.53 C ATOM 90 O TYR A 6 -13.732 -1.865 -4.802 1.00 0.64 O ATOM 91 CB TYR A 6 -14.234 -4.198 -3.299 1.00 0.70 C ATOM 92 CG TYR A 6 -14.231 -5.518 -2.556 1.00 0.82 C ATOM 93 CD1 TYR A 6 -13.239 -6.477 -2.840 1.00 2.16 C ATOM 94 CD2 TYR A 6 -15.236 -5.802 -1.611 1.00 1.76 C ATOM 95 CE1 TYR A 6 -13.251 -7.718 -2.184 1.00 2.44 C ATOM 96 CE2 TYR A 6 -15.242 -7.037 -0.938 1.00 1.84 C ATOM 97 CZ TYR A 6 -14.242 -7.996 -1.218 1.00 1.49 C ATOM 98 OH TYR A 6 -14.219 -9.182 -0.553 1.00 1.89 O ATOM 0 H TYR A 6 -12.684 -3.142 -1.014 1.00 0.73 H new ATOM 0 HA TYR A 6 -12.123 -3.957 -3.033 1.00 0.60 H new ATOM 0 HB2 TYR A 6 -15.126 -3.639 -3.015 1.00 0.70 H new ATOM 0 HB3 TYR A 6 -14.310 -4.399 -4.368 1.00 0.70 H new ATOM 0 HD1 TYR A 6 -12.468 -6.257 -3.564 1.00 2.16 H new ATOM 0 HD2 TYR A 6 -16.003 -5.071 -1.403 1.00 1.76 H new ATOM 0 HE1 TYR A 6 -12.502 -8.460 -2.418 1.00 2.44 H new ATOM 0 HE2 TYR A 6 -16.009 -7.252 -0.209 1.00 1.84 H new ATOM 0 HH TYR A 6 -14.968 -9.218 0.078 1.00 1.89 H new ATOM 108 N TYR A 7 -11.528 -1.972 -4.471 1.00 0.40 N ATOM 109 CA TYR A 7 -11.230 -1.009 -5.503 1.00 0.34 C ATOM 110 C TYR A 7 -10.683 -1.700 -6.741 1.00 0.37 C ATOM 111 O TYR A 7 -10.114 -2.791 -6.669 1.00 0.41 O ATOM 112 CB TYR A 7 -10.205 -0.048 -4.929 1.00 0.30 C ATOM 113 CG TYR A 7 -10.811 1.069 -4.114 1.00 0.35 C ATOM 114 CD1 TYR A 7 -11.783 1.922 -4.672 1.00 1.97 C ATOM 115 CD2 TYR A 7 -10.389 1.258 -2.792 1.00 1.77 C ATOM 116 CE1 TYR A 7 -12.328 2.975 -3.915 1.00 2.05 C ATOM 117 CE2 TYR A 7 -10.930 2.305 -2.037 1.00 1.75 C ATOM 118 CZ TYR A 7 -11.911 3.158 -2.581 1.00 0.61 C ATOM 119 OH TYR A 7 -12.407 4.164 -1.807 1.00 0.77 O ATOM 0 H TYR A 7 -10.707 -2.355 -4.002 1.00 0.40 H new ATOM 0 HA TYR A 7 -12.132 -0.477 -5.806 1.00 0.34 H new ATOM 0 HB2 TYR A 7 -9.508 -0.605 -4.304 1.00 0.30 H new ATOM 0 HB3 TYR A 7 -9.626 0.383 -5.746 1.00 0.30 H new ATOM 0 HD1 TYR A 7 -12.112 1.766 -5.689 1.00 1.97 H new ATOM 0 HD2 TYR A 7 -9.651 0.600 -2.358 1.00 1.77 H new ATOM 0 HE1 TYR A 7 -13.060 3.638 -4.352 1.00 2.05 H new ATOM 0 HE2 TYR A 7 -10.591 2.461 -1.024 1.00 1.75 H new ATOM 0 HH TYR A 7 -11.998 4.124 -0.917 1.00 0.77 H new ATOM 129 N THR A 8 -10.861 -1.053 -7.888 1.00 0.42 N ATOM 130 CA THR A 8 -10.444 -1.605 -9.159 1.00 0.49 C ATOM 131 C THR A 8 -9.047 -1.123 -9.453 1.00 0.50 C ATOM 132 O THR A 8 -8.706 -0.011 -9.070 1.00 0.54 O ATOM 133 CB THR A 8 -11.401 -1.109 -10.244 1.00 0.59 C ATOM 134 OG1 THR A 8 -11.479 0.300 -10.240 1.00 0.68 O ATOM 135 CG2 THR A 8 -12.787 -1.653 -9.951 1.00 0.72 C ATOM 0 H THR A 8 -11.298 -0.134 -7.956 1.00 0.42 H new ATOM 0 HA THR A 8 -10.458 -2.695 -9.131 1.00 0.49 H new ATOM 0 HB THR A 8 -11.034 -1.447 -11.213 1.00 0.59 H new ATOM 0 HG1 THR A 8 -12.095 0.596 -10.943 1.00 0.68 H new ATOM 0 HG21 THR A 8 -13.482 -1.308 -10.716 1.00 0.72 H new ATOM 0 HG22 THR A 8 -12.758 -2.743 -9.952 1.00 0.72 H new ATOM 0 HG23 THR A 8 -13.118 -1.299 -8.974 1.00 0.72 H new ATOM 143 N LEU A 9 -8.246 -1.921 -10.159 1.00 0.52 N ATOM 144 CA LEU A 9 -6.876 -1.543 -10.467 1.00 0.55 C ATOM 145 C LEU A 9 -6.825 -0.151 -11.034 1.00 0.56 C ATOM 146 O LEU A 9 -5.991 0.600 -10.576 1.00 0.57 O ATOM 147 CB LEU A 9 -6.189 -2.490 -11.446 1.00 0.63 C ATOM 148 CG LEU A 9 -6.078 -3.921 -10.924 1.00 0.67 C ATOM 149 CD1 LEU A 9 -5.717 -3.954 -9.437 1.00 0.89 C ATOM 150 CD2 LEU A 9 -7.375 -4.692 -11.174 1.00 0.87 C ATOM 0 H LEU A 9 -8.526 -2.831 -10.526 1.00 0.52 H new ATOM 0 HA LEU A 9 -6.339 -1.596 -9.520 1.00 0.55 H new ATOM 0 HB2 LEU A 9 -6.742 -2.495 -12.385 1.00 0.63 H new ATOM 0 HB3 LEU A 9 -5.191 -2.112 -11.666 1.00 0.63 H new ATOM 0 HG LEU A 9 -5.271 -4.406 -11.473 1.00 0.67 H new ATOM 0 HD11 LEU A 9 -5.647 -4.989 -9.102 1.00 0.89 H new ATOM 0 HD12 LEU A 9 -4.759 -3.458 -9.284 1.00 0.89 H new ATOM 0 HD13 LEU A 9 -6.488 -3.439 -8.864 1.00 0.89 H new ATOM 0 HD21 LEU A 9 -7.273 -5.709 -10.794 1.00 0.87 H new ATOM 0 HD22 LEU A 9 -8.199 -4.194 -10.662 1.00 0.87 H new ATOM 0 HD23 LEU A 9 -7.579 -4.723 -12.244 1.00 0.87 H new ATOM 162 N GLU A 10 -7.700 0.196 -11.982 1.00 0.61 N ATOM 163 CA GLU A 10 -7.783 1.534 -12.563 1.00 0.67 C ATOM 164 C GLU A 10 -7.824 2.629 -11.501 1.00 0.60 C ATOM 165 O GLU A 10 -7.181 3.660 -11.658 1.00 0.73 O ATOM 166 CB GLU A 10 -9.009 1.631 -13.472 1.00 0.79 C ATOM 167 CG GLU A 10 -8.600 2.236 -14.816 1.00 1.29 C ATOM 168 CD GLU A 10 -9.830 2.666 -15.611 1.00 2.03 C ATOM 169 OE1 GLU A 10 -10.742 1.821 -15.741 1.00 2.80 O ATOM 170 OE2 GLU A 10 -9.830 3.824 -16.081 1.00 2.91 O ATOM 0 H GLU A 10 -8.380 -0.457 -12.372 1.00 0.61 H new ATOM 0 HA GLU A 10 -6.877 1.692 -13.149 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -9.442 0.642 -13.623 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -9.776 2.247 -13.002 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -7.949 3.095 -14.651 1.00 1.29 H new ATOM 0 HG3 GLU A 10 -8.027 1.507 -15.389 1.00 1.29 H new ATOM 177 N GLU A 11 -8.553 2.389 -10.416 1.00 0.50 N ATOM 178 CA GLU A 11 -8.581 3.281 -9.276 1.00 0.45 C ATOM 179 C GLU A 11 -7.216 3.271 -8.575 1.00 0.41 C ATOM 180 O GLU A 11 -6.584 4.305 -8.396 1.00 0.52 O ATOM 181 CB GLU A 11 -9.734 2.867 -8.344 1.00 0.49 C ATOM 182 CG GLU A 11 -9.872 3.802 -7.152 1.00 1.19 C ATOM 183 CD GLU A 11 -10.448 5.175 -7.533 1.00 1.21 C ATOM 184 OE1 GLU A 11 -9.903 5.843 -8.444 1.00 1.73 O ATOM 185 OE2 GLU A 11 -11.478 5.541 -6.924 1.00 2.33 O ATOM 0 H GLU A 11 -9.142 1.564 -10.308 1.00 0.50 H new ATOM 0 HA GLU A 11 -8.765 4.308 -9.593 1.00 0.45 H new ATOM 0 HB2 GLU A 11 -10.668 2.857 -8.906 1.00 0.49 H new ATOM 0 HB3 GLU A 11 -9.565 1.850 -7.989 1.00 0.49 H new ATOM 0 HG2 GLU A 11 -10.516 3.338 -6.405 1.00 1.19 H new ATOM 0 HG3 GLU A 11 -8.895 3.939 -6.689 1.00 1.19 H new ATOM 192 N ILE A 12 -6.685 2.112 -8.192 1.00 0.36 N ATOM 193 CA ILE A 12 -5.424 2.089 -7.459 1.00 0.37 C ATOM 194 C ILE A 12 -4.288 2.767 -8.227 1.00 0.40 C ATOM 195 O ILE A 12 -3.517 3.540 -7.663 1.00 0.42 O ATOM 196 CB ILE A 12 -5.077 0.640 -7.129 1.00 0.44 C ATOM 197 CG1 ILE A 12 -6.119 0.129 -6.130 1.00 0.38 C ATOM 198 CG2 ILE A 12 -3.684 0.514 -6.516 1.00 0.61 C ATOM 199 CD1 ILE A 12 -6.877 -1.071 -6.684 1.00 0.64 C ATOM 0 H ILE A 12 -7.098 1.197 -8.372 1.00 0.36 H new ATOM 0 HA ILE A 12 -5.547 2.661 -6.539 1.00 0.37 H new ATOM 0 HB ILE A 12 -5.082 0.055 -8.048 1.00 0.44 H new ATOM 0 HG12 ILE A 12 -5.627 -0.148 -5.198 1.00 0.38 H new ATOM 0 HG13 ILE A 12 -6.822 0.928 -5.894 1.00 0.38 H new ATOM 0 HG21 ILE A 12 -3.477 -0.533 -6.296 1.00 0.61 H new ATOM 0 HG22 ILE A 12 -2.942 0.891 -7.219 1.00 0.61 H new ATOM 0 HG23 ILE A 12 -3.638 1.094 -5.594 1.00 0.61 H new ATOM 0 HD11 ILE A 12 -7.609 -1.409 -5.950 1.00 0.64 H new ATOM 0 HD12 ILE A 12 -7.389 -0.785 -7.603 1.00 0.64 H new ATOM 0 HD13 ILE A 12 -6.176 -1.878 -6.896 1.00 0.64 H new ATOM 211 N LYS A 13 -4.220 2.530 -9.533 1.00 0.46 N ATOM 212 CA LYS A 13 -3.269 3.097 -10.478 1.00 0.60 C ATOM 213 C LYS A 13 -3.707 4.497 -10.898 1.00 0.76 C ATOM 214 O LYS A 13 -3.502 4.907 -12.038 1.00 1.43 O ATOM 215 CB LYS A 13 -3.079 2.141 -11.670 1.00 0.79 C ATOM 216 CG LYS A 13 -4.287 2.078 -12.616 1.00 2.16 C ATOM 217 CD LYS A 13 -4.319 0.783 -13.449 1.00 2.02 C ATOM 218 CE LYS A 13 -3.981 1.096 -14.911 1.00 2.84 C ATOM 219 NZ LYS A 13 -5.076 0.723 -15.834 1.00 4.07 N ATOM 0 H LYS A 13 -4.873 1.893 -9.988 1.00 0.46 H new ATOM 0 HA LYS A 13 -2.295 3.208 -10.001 1.00 0.60 H new ATOM 0 HB2 LYS A 13 -2.202 2.453 -12.237 1.00 0.79 H new ATOM 0 HB3 LYS A 13 -2.874 1.140 -11.291 1.00 0.79 H new ATOM 0 HG2 LYS A 13 -5.205 2.154 -12.033 1.00 2.16 H new ATOM 0 HG3 LYS A 13 -4.264 2.937 -13.287 1.00 2.16 H new ATOM 0 HD2 LYS A 13 -3.605 0.064 -13.047 1.00 2.02 H new ATOM 0 HD3 LYS A 13 -5.305 0.323 -13.385 1.00 2.02 H new ATOM 0 HE2 LYS A 13 -3.770 2.161 -15.013 1.00 2.84 H new ATOM 0 HE3 LYS A 13 -3.073 0.563 -15.194 1.00 2.84 H new ATOM 0 HZ1 LYS A 13 -4.752 0.826 -16.817 1.00 4.07 H new ATOM 0 HZ2 LYS A 13 -5.353 -0.265 -15.663 1.00 4.07 H new ATOM 0 HZ3 LYS A 13 -5.894 1.345 -15.672 1.00 4.07 H new ATOM 233 N LYS A 14 -4.294 5.239 -9.967 1.00 0.69 N ATOM 234 CA LYS A 14 -4.689 6.617 -10.165 1.00 0.82 C ATOM 235 C LYS A 14 -4.142 7.465 -9.024 1.00 0.99 C ATOM 236 O LYS A 14 -3.655 8.566 -9.265 1.00 1.83 O ATOM 237 CB LYS A 14 -6.217 6.674 -10.241 1.00 0.83 C ATOM 238 CG LYS A 14 -6.720 8.064 -10.612 1.00 1.33 C ATOM 239 CD LYS A 14 -8.087 8.310 -9.970 1.00 2.29 C ATOM 240 CE LYS A 14 -8.310 9.820 -9.898 1.00 3.70 C ATOM 241 NZ LYS A 14 -9.602 10.206 -10.492 1.00 4.09 N ATOM 0 H LYS A 14 -4.511 4.886 -9.035 1.00 0.69 H new ATOM 0 HA LYS A 14 -4.282 7.015 -11.095 1.00 0.82 H new ATOM 0 HB2 LYS A 14 -6.570 5.952 -10.978 1.00 0.83 H new ATOM 0 HB3 LYS A 14 -6.639 6.381 -9.280 1.00 0.83 H new ATOM 0 HG2 LYS A 14 -6.009 8.819 -10.276 1.00 1.33 H new ATOM 0 HG3 LYS A 14 -6.795 8.156 -11.695 1.00 1.33 H new ATOM 0 HD2 LYS A 14 -8.874 7.836 -10.556 1.00 2.29 H new ATOM 0 HD3 LYS A 14 -8.124 7.871 -8.973 1.00 2.29 H new ATOM 0 HE2 LYS A 14 -8.276 10.144 -8.858 1.00 3.70 H new ATOM 0 HE3 LYS A 14 -7.502 10.333 -10.419 1.00 3.70 H new ATOM 0 HZ1 LYS A 14 -9.720 11.237 -10.426 1.00 4.09 H new ATOM 0 HZ2 LYS A 14 -9.625 9.918 -11.491 1.00 4.09 H new ATOM 0 HZ3 LYS A 14 -10.374 9.735 -9.979 1.00 4.09 H new ATOM 255 N HIS A 15 -4.175 6.967 -7.785 1.00 0.49 N ATOM 256 CA HIS A 15 -3.707 7.723 -6.642 1.00 0.65 C ATOM 257 C HIS A 15 -2.345 7.168 -6.239 1.00 0.94 C ATOM 258 O HIS A 15 -2.214 6.162 -5.549 1.00 2.52 O ATOM 259 CB HIS A 15 -4.709 7.700 -5.491 1.00 1.24 C ATOM 260 CG HIS A 15 -6.099 7.261 -5.835 1.00 1.11 C ATOM 261 ND1 HIS A 15 -7.197 8.076 -6.013 1.00 1.76 N ATOM 262 CD2 HIS A 15 -6.495 5.966 -5.993 1.00 0.85 C ATOM 263 CE1 HIS A 15 -8.240 7.273 -6.286 1.00 1.84 C ATOM 264 NE2 HIS A 15 -7.855 5.995 -6.257 1.00 1.28 N ATOM 0 H HIS A 15 -4.525 6.036 -7.557 1.00 0.49 H new ATOM 0 HA HIS A 15 -3.606 8.775 -6.909 1.00 0.65 H new ATOM 0 HB2 HIS A 15 -4.323 7.040 -4.714 1.00 1.24 H new ATOM 0 HB3 HIS A 15 -4.762 8.701 -5.062 1.00 1.24 H new ATOM 0 HD1 HIS A 15 -7.214 9.094 -5.950 1.00 1.76 H new ATOM 0 HD2 HIS A 15 -5.870 5.088 -5.925 1.00 0.85 H new ATOM 0 HE1 HIS A 15 -9.243 7.612 -6.498 1.00 1.84 H new ATOM 272 N ASN A 16 -1.308 7.814 -6.744 1.00 0.74 N ATOM 273 CA ASN A 16 0.077 7.435 -6.511 1.00 0.74 C ATOM 274 C ASN A 16 0.952 8.664 -6.304 1.00 1.10 C ATOM 275 O ASN A 16 2.130 8.674 -6.652 1.00 1.80 O ATOM 276 CB ASN A 16 0.601 6.562 -7.656 1.00 0.78 C ATOM 277 CG ASN A 16 0.391 7.199 -9.019 1.00 1.19 C ATOM 278 OD1 ASN A 16 0.286 8.413 -9.154 1.00 2.40 O ATOM 279 ND2 ASN A 16 0.278 6.370 -10.046 1.00 1.82 N ATOM 0 H ASN A 16 -1.407 8.635 -7.341 1.00 0.74 H new ATOM 0 HA ASN A 16 0.119 6.844 -5.596 1.00 0.74 H new ATOM 0 HB2 ASN A 16 1.664 6.373 -7.507 1.00 0.78 H new ATOM 0 HB3 ASN A 16 0.099 5.595 -7.630 1.00 0.78 H new ATOM 0 HD21 ASN A 16 0.099 6.737 -10.981 1.00 1.82 H new ATOM 0 HD22 ASN A 16 0.370 5.364 -9.902 1.00 1.82 H new ATOM 286 N HIS A 17 0.374 9.714 -5.730 1.00 0.83 N ATOM 287 CA HIS A 17 1.064 10.971 -5.516 1.00 1.30 C ATOM 288 C HIS A 17 0.979 11.337 -4.039 1.00 1.28 C ATOM 289 O HIS A 17 0.412 10.591 -3.235 1.00 2.30 O ATOM 290 CB HIS A 17 0.481 12.044 -6.450 1.00 1.64 C ATOM 291 CG HIS A 17 -1.026 12.078 -6.485 1.00 1.51 C ATOM 292 ND1 HIS A 17 -1.829 12.929 -5.762 1.00 2.91 N ATOM 293 CD2 HIS A 17 -1.840 11.284 -7.251 1.00 1.44 C ATOM 294 CE1 HIS A 17 -3.104 12.645 -6.083 1.00 3.60 C ATOM 295 NE2 HIS A 17 -3.162 11.640 -6.969 1.00 2.48 N ATOM 0 H HIS A 17 -0.591 9.712 -5.400 1.00 0.83 H new ATOM 0 HA HIS A 17 2.122 10.888 -5.765 1.00 1.30 H new ATOM 0 HB2 HIS A 17 0.848 13.021 -6.137 1.00 1.64 H new ATOM 0 HB3 HIS A 17 0.853 11.872 -7.460 1.00 1.64 H new ATOM 0 HD2 HIS A 17 -1.518 10.522 -7.946 1.00 1.44 H new ATOM 0 HE1 HIS A 17 -3.965 13.158 -5.681 1.00 3.60 H new ATOM 0 HE2 HIS A 17 -4.005 11.219 -7.360 1.00 2.48 H new ATOM 303 N SER A 18 1.563 12.478 -3.670 1.00 1.23 N ATOM 304 CA SER A 18 1.585 12.959 -2.298 1.00 1.17 C ATOM 305 C SER A 18 0.215 13.476 -1.889 1.00 0.96 C ATOM 306 O SER A 18 0.016 14.683 -1.790 1.00 2.04 O ATOM 307 CB SER A 18 2.631 14.057 -2.161 1.00 1.61 C ATOM 308 OG SER A 18 3.890 13.483 -2.460 1.00 2.47 O ATOM 0 H SER A 18 2.038 13.097 -4.327 1.00 1.23 H new ATOM 0 HA SER A 18 1.844 12.132 -1.636 1.00 1.17 H new ATOM 0 HB2 SER A 18 2.414 14.881 -2.841 1.00 1.61 H new ATOM 0 HB3 SER A 18 2.626 14.467 -1.151 1.00 1.61 H new ATOM 0 HG SER A 18 4.588 14.167 -2.382 1.00 2.47 H new ATOM 314 N LYS A 19 -0.730 12.559 -1.682 1.00 0.95 N ATOM 315 CA LYS A 19 -2.094 12.850 -1.275 1.00 0.89 C ATOM 316 C LYS A 19 -2.884 11.563 -1.055 1.00 0.91 C ATOM 317 O LYS A 19 -3.712 11.522 -0.156 1.00 1.45 O ATOM 318 CB LYS A 19 -2.780 13.702 -2.348 1.00 1.40 C ATOM 319 CG LYS A 19 -4.225 14.011 -1.961 1.00 2.40 C ATOM 320 CD LYS A 19 -4.632 15.447 -2.325 1.00 2.99 C ATOM 321 CE LYS A 19 -5.166 16.154 -1.075 1.00 3.79 C ATOM 322 NZ LYS A 19 -6.401 16.906 -1.367 1.00 5.05 N ATOM 0 H LYS A 19 -0.555 11.561 -1.799 1.00 0.95 H new ATOM 0 HA LYS A 19 -2.064 13.399 -0.334 1.00 0.89 H new ATOM 0 HB2 LYS A 19 -2.230 14.633 -2.485 1.00 1.40 H new ATOM 0 HB3 LYS A 19 -2.760 13.176 -3.303 1.00 1.40 H new ATOM 0 HG2 LYS A 19 -4.891 13.309 -2.462 1.00 2.40 H new ATOM 0 HG3 LYS A 19 -4.352 13.861 -0.889 1.00 2.40 H new ATOM 0 HD2 LYS A 19 -3.776 15.989 -2.726 1.00 2.99 H new ATOM 0 HD3 LYS A 19 -5.395 15.435 -3.104 1.00 2.99 H new ATOM 0 HE2 LYS A 19 -5.362 15.418 -0.295 1.00 3.79 H new ATOM 0 HE3 LYS A 19 -4.407 16.834 -0.688 1.00 3.79 H new ATOM 0 HZ1 LYS A 19 -6.736 17.373 -0.500 1.00 5.05 H new ATOM 0 HZ2 LYS A 19 -6.207 17.624 -2.094 1.00 5.05 H new ATOM 0 HZ3 LYS A 19 -7.132 16.252 -1.713 1.00 5.05 H new ATOM 336 N SER A 20 -2.615 10.530 -1.852 1.00 0.67 N ATOM 337 CA SER A 20 -3.233 9.222 -1.698 1.00 0.68 C ATOM 338 C SER A 20 -2.250 8.170 -2.196 1.00 0.74 C ATOM 339 O SER A 20 -2.573 7.424 -3.103 1.00 1.48 O ATOM 340 CB SER A 20 -4.547 9.187 -2.488 1.00 0.85 C ATOM 341 OG SER A 20 -5.636 9.545 -1.667 1.00 1.61 O ATOM 0 H SER A 20 -1.956 10.582 -2.628 1.00 0.67 H new ATOM 0 HA SER A 20 -3.468 9.017 -0.653 1.00 0.68 H new ATOM 0 HB2 SER A 20 -4.485 9.870 -3.335 1.00 0.85 H new ATOM 0 HB3 SER A 20 -4.705 8.188 -2.894 1.00 0.85 H new ATOM 0 HG SER A 20 -5.343 10.204 -1.003 1.00 1.61 H new ATOM 347 N THR A 21 -1.023 8.150 -1.675 1.00 0.43 N ATOM 348 CA THR A 21 -0.039 7.100 -1.871 1.00 0.36 C ATOM 349 C THR A 21 -0.635 5.748 -1.499 1.00 0.32 C ATOM 350 O THR A 21 -0.462 5.236 -0.391 1.00 0.41 O ATOM 351 CB THR A 21 1.221 7.456 -1.080 1.00 0.37 C ATOM 352 OG1 THR A 21 1.840 8.503 -1.797 1.00 0.67 O ATOM 353 CG2 THR A 21 2.220 6.304 -0.920 1.00 0.41 C ATOM 0 H THR A 21 -0.678 8.902 -1.079 1.00 0.43 H new ATOM 0 HA THR A 21 0.248 7.020 -2.920 1.00 0.36 H new ATOM 0 HB THR A 21 0.927 7.723 -0.065 1.00 0.37 H new ATOM 0 HG1 THR A 21 1.157 9.030 -2.261 1.00 0.67 H new ATOM 0 HG21 THR A 21 3.082 6.647 -0.347 1.00 0.41 H new ATOM 0 HG22 THR A 21 1.741 5.477 -0.396 1.00 0.41 H new ATOM 0 HG23 THR A 21 2.549 5.968 -1.904 1.00 0.41 H new ATOM 361 N TRP A 22 -1.347 5.170 -2.459 1.00 0.30 N ATOM 362 CA TRP A 22 -1.880 3.842 -2.329 1.00 0.30 C ATOM 363 C TRP A 22 -0.823 2.873 -2.774 1.00 0.28 C ATOM 364 O TRP A 22 0.245 3.289 -3.201 1.00 0.35 O ATOM 365 CB TRP A 22 -3.159 3.748 -3.151 1.00 0.40 C ATOM 366 CG TRP A 22 -4.345 4.306 -2.442 1.00 0.32 C ATOM 367 CD1 TRP A 22 -4.337 5.050 -1.314 1.00 0.31 C ATOM 368 CD2 TRP A 22 -5.736 4.132 -2.788 1.00 0.33 C ATOM 369 NE1 TRP A 22 -5.630 5.351 -0.938 1.00 0.34 N ATOM 370 CE2 TRP A 22 -6.535 4.847 -1.851 1.00 0.34 C ATOM 371 CE3 TRP A 22 -6.389 3.424 -3.810 1.00 0.42 C ATOM 372 CZ2 TRP A 22 -7.930 4.901 -1.967 1.00 0.42 C ATOM 373 CZ3 TRP A 22 -7.784 3.454 -3.928 1.00 0.46 C ATOM 374 CH2 TRP A 22 -8.548 4.212 -3.025 1.00 0.46 C ATOM 0 H TRP A 22 -1.565 5.620 -3.348 1.00 0.30 H new ATOM 0 HA TRP A 22 -2.142 3.601 -1.299 1.00 0.30 H new ATOM 0 HB2 TRP A 22 -3.020 4.281 -4.092 1.00 0.40 H new ATOM 0 HB3 TRP A 22 -3.349 2.704 -3.401 1.00 0.40 H new ATOM 0 HD1 TRP A 22 -3.449 5.363 -0.785 1.00 0.31 H new ATOM 0 HE1 TRP A 22 -5.883 5.874 -0.100 1.00 0.34 H new ATOM 0 HE3 TRP A 22 -5.807 2.848 -4.515 1.00 0.42 H new ATOM 0 HZ2 TRP A 22 -8.520 5.462 -1.257 1.00 0.42 H new ATOM 0 HZ3 TRP A 22 -8.272 2.895 -4.713 1.00 0.46 H new ATOM 0 HH2 TRP A 22 -9.620 4.266 -3.145 1.00 0.46 H new ATOM 385 N LEU A 23 -1.092 1.585 -2.628 1.00 0.30 N ATOM 386 CA LEU A 23 -0.215 0.523 -3.073 1.00 0.32 C ATOM 387 C LEU A 23 -0.949 -0.792 -2.858 1.00 0.37 C ATOM 388 O LEU A 23 -1.954 -0.850 -2.145 1.00 0.44 O ATOM 389 CB LEU A 23 1.160 0.633 -2.383 1.00 0.31 C ATOM 390 CG LEU A 23 1.092 0.880 -0.870 1.00 0.36 C ATOM 391 CD1 LEU A 23 0.835 -0.423 -0.149 1.00 0.48 C ATOM 392 CD2 LEU A 23 2.426 1.446 -0.382 1.00 0.42 C ATOM 0 H LEU A 23 -1.946 1.245 -2.186 1.00 0.30 H new ATOM 0 HA LEU A 23 0.018 0.593 -4.135 1.00 0.32 H new ATOM 0 HB2 LEU A 23 1.718 -0.285 -2.564 1.00 0.31 H new ATOM 0 HB3 LEU A 23 1.722 1.444 -2.846 1.00 0.31 H new ATOM 0 HG LEU A 23 0.286 1.585 -0.665 1.00 0.36 H new ATOM 0 HD11 LEU A 23 0.788 -0.242 0.925 1.00 0.48 H new ATOM 0 HD12 LEU A 23 -0.111 -0.846 -0.488 1.00 0.48 H new ATOM 0 HD13 LEU A 23 1.643 -1.123 -0.363 1.00 0.48 H new ATOM 0 HD21 LEU A 23 2.376 1.621 0.693 1.00 0.42 H new ATOM 0 HD22 LEU A 23 3.223 0.735 -0.597 1.00 0.42 H new ATOM 0 HD23 LEU A 23 2.631 2.387 -0.893 1.00 0.42 H new ATOM 404 N ILE A 24 -0.426 -1.855 -3.450 1.00 0.38 N ATOM 405 CA ILE A 24 -1.001 -3.176 -3.443 1.00 0.44 C ATOM 406 C ILE A 24 0.014 -4.051 -2.729 1.00 0.48 C ATOM 407 O ILE A 24 1.000 -4.514 -3.313 1.00 0.55 O ATOM 408 CB ILE A 24 -1.248 -3.684 -4.872 1.00 0.52 C ATOM 409 CG1 ILE A 24 -2.195 -2.718 -5.587 1.00 0.55 C ATOM 410 CG2 ILE A 24 -1.861 -5.092 -4.783 1.00 0.63 C ATOM 411 CD1 ILE A 24 -2.255 -2.936 -7.104 1.00 1.80 C ATOM 0 H ILE A 24 0.450 -1.810 -3.970 1.00 0.38 H new ATOM 0 HA ILE A 24 -1.971 -3.187 -2.946 1.00 0.44 H new ATOM 0 HB ILE A 24 -0.317 -3.735 -5.437 1.00 0.52 H new ATOM 0 HG12 ILE A 24 -3.197 -2.828 -5.172 1.00 0.55 H new ATOM 0 HG13 ILE A 24 -1.878 -1.695 -5.387 1.00 0.55 H new ATOM 0 HG21 ILE A 24 -2.045 -5.473 -5.788 1.00 0.63 H new ATOM 0 HG22 ILE A 24 -1.171 -5.757 -4.264 1.00 0.63 H new ATOM 0 HG23 ILE A 24 -2.802 -5.045 -4.235 1.00 0.63 H new ATOM 0 HD11 ILE A 24 -2.945 -2.218 -7.548 1.00 1.80 H new ATOM 0 HD12 ILE A 24 -1.262 -2.797 -7.531 1.00 1.80 H new ATOM 0 HD13 ILE A 24 -2.601 -3.948 -7.313 1.00 1.80 H new ATOM 423 N LEU A 25 -0.201 -4.254 -1.438 1.00 0.54 N ATOM 424 CA LEU A 25 0.643 -5.119 -0.651 1.00 0.56 C ATOM 425 C LEU A 25 -0.134 -6.383 -0.362 1.00 0.69 C ATOM 426 O LEU A 25 -0.930 -6.423 0.563 1.00 1.13 O ATOM 427 CB LEU A 25 1.129 -4.402 0.609 1.00 0.59 C ATOM 428 CG LEU A 25 2.352 -3.536 0.310 1.00 0.56 C ATOM 429 CD1 LEU A 25 2.609 -2.581 1.472 1.00 0.64 C ATOM 430 CD2 LEU A 25 3.584 -4.397 0.124 1.00 0.66 C ATOM 0 H LEU A 25 -0.963 -3.823 -0.915 1.00 0.54 H new ATOM 0 HA LEU A 25 1.548 -5.388 -1.195 1.00 0.56 H new ATOM 0 HB2 LEU A 25 0.328 -3.780 1.010 1.00 0.59 H new ATOM 0 HB3 LEU A 25 1.377 -5.136 1.376 1.00 0.59 H new ATOM 0 HG LEU A 25 2.153 -2.978 -0.605 1.00 0.56 H new ATOM 0 HD11 LEU A 25 3.482 -1.967 1.252 1.00 0.64 H new ATOM 0 HD12 LEU A 25 1.740 -1.939 1.614 1.00 0.64 H new ATOM 0 HD13 LEU A 25 2.789 -3.154 2.381 1.00 0.64 H new ATOM 0 HD21 LEU A 25 4.444 -3.761 -0.088 1.00 0.66 H new ATOM 0 HD22 LEU A 25 3.770 -4.967 1.034 1.00 0.66 H new ATOM 0 HD23 LEU A 25 3.426 -5.083 -0.708 1.00 0.66 H new ATOM 442 N HIS A 26 0.107 -7.430 -1.148 1.00 0.59 N ATOM 443 CA HIS A 26 -0.463 -8.743 -0.916 1.00 0.66 C ATOM 444 C HIS A 26 -1.945 -8.706 -1.265 1.00 0.68 C ATOM 445 O HIS A 26 -2.763 -8.779 -0.350 1.00 1.19 O ATOM 446 CB HIS A 26 -0.250 -9.232 0.536 1.00 0.75 C ATOM 447 CG HIS A 26 1.176 -9.254 1.032 1.00 1.24 C ATOM 448 ND1 HIS A 26 1.700 -10.229 1.848 1.00 1.81 N ATOM 449 CD2 HIS A 26 2.168 -8.328 0.817 1.00 2.07 C ATOM 450 CE1 HIS A 26 2.984 -9.909 2.089 1.00 2.37 C ATOM 451 NE2 HIS A 26 3.306 -8.753 1.496 1.00 2.50 N ATOM 0 H HIS A 26 0.710 -7.384 -1.970 1.00 0.59 H new ATOM 0 HA HIS A 26 0.053 -9.458 -1.557 1.00 0.66 H new ATOM 0 HB2 HIS A 26 -0.834 -8.595 1.201 1.00 0.75 H new ATOM 0 HB3 HIS A 26 -0.657 -10.239 0.621 1.00 0.75 H new ATOM 0 HD2 HIS A 26 2.080 -7.429 0.225 1.00 2.07 H new ATOM 0 HE1 HIS A 26 3.663 -10.504 2.681 1.00 2.37 H new ATOM 0 HE2 HIS A 26 4.208 -8.277 1.534 1.00 2.50 H new ATOM 459 N HIS A 27 -2.263 -8.664 -2.574 1.00 0.68 N ATOM 460 CA HIS A 27 -3.621 -8.594 -3.125 1.00 0.73 C ATOM 461 C HIS A 27 -4.564 -7.840 -2.196 1.00 0.66 C ATOM 462 O HIS A 27 -5.645 -8.305 -1.840 1.00 0.72 O ATOM 463 CB HIS A 27 -4.140 -10.015 -3.431 1.00 0.89 C ATOM 464 CG HIS A 27 -3.853 -11.040 -2.354 1.00 1.33 C ATOM 465 ND1 HIS A 27 -2.622 -11.607 -2.106 1.00 2.33 N ATOM 466 CD2 HIS A 27 -4.740 -11.563 -1.451 1.00 2.58 C ATOM 467 CE1 HIS A 27 -2.762 -12.442 -1.064 1.00 2.71 C ATOM 468 NE2 HIS A 27 -4.034 -12.453 -0.633 1.00 3.03 N ATOM 0 H HIS A 27 -1.548 -8.679 -3.301 1.00 0.68 H new ATOM 0 HA HIS A 27 -3.586 -8.032 -4.059 1.00 0.73 H new ATOM 0 HB2 HIS A 27 -5.217 -9.967 -3.590 1.00 0.89 H new ATOM 0 HB3 HIS A 27 -3.695 -10.356 -4.366 1.00 0.89 H new ATOM 0 HD2 HIS A 27 -5.793 -11.331 -1.382 1.00 2.58 H new ATOM 0 HE1 HIS A 27 -1.962 -13.025 -0.632 1.00 2.71 H new ATOM 0 HE2 HIS A 27 -4.412 -13.002 0.139 1.00 3.03 H new ATOM 476 N LYS A 28 -4.142 -6.637 -1.811 1.00 0.66 N ATOM 477 CA LYS A 28 -4.907 -5.788 -0.926 1.00 0.58 C ATOM 478 C LYS A 28 -4.655 -4.351 -1.317 1.00 0.49 C ATOM 479 O LYS A 28 -3.727 -4.092 -2.069 1.00 0.68 O ATOM 480 CB LYS A 28 -4.508 -6.031 0.533 1.00 0.69 C ATOM 481 CG LYS A 28 -5.651 -6.725 1.282 1.00 0.83 C ATOM 482 CD LYS A 28 -5.537 -8.247 1.351 1.00 1.32 C ATOM 483 CE LYS A 28 -4.833 -8.697 2.631 1.00 1.95 C ATOM 484 NZ LYS A 28 -3.401 -8.338 2.618 1.00 3.62 N ATOM 0 H LYS A 28 -3.256 -6.230 -2.110 1.00 0.66 H new ATOM 0 HA LYS A 28 -5.969 -6.016 -1.016 1.00 0.58 H new ATOM 0 HB2 LYS A 28 -3.609 -6.646 0.575 1.00 0.69 H new ATOM 0 HB3 LYS A 28 -4.269 -5.083 1.016 1.00 0.69 H new ATOM 0 HG2 LYS A 28 -5.694 -6.331 2.297 1.00 0.83 H new ATOM 0 HG3 LYS A 28 -6.593 -6.466 0.799 1.00 0.83 H new ATOM 0 HD2 LYS A 28 -6.532 -8.690 1.306 1.00 1.32 H new ATOM 0 HD3 LYS A 28 -4.986 -8.612 0.484 1.00 1.32 H new ATOM 0 HE2 LYS A 28 -5.316 -8.238 3.493 1.00 1.95 H new ATOM 0 HE3 LYS A 28 -4.937 -9.776 2.744 1.00 1.95 H new ATOM 0 HZ1 LYS A 28 -2.878 -8.973 3.254 1.00 3.62 H new ATOM 0 HZ2 LYS A 28 -3.028 -8.432 1.652 1.00 3.62 H new ATOM 0 HZ3 LYS A 28 -3.286 -7.356 2.939 1.00 3.62 H new ATOM 498 N VAL A 29 -5.442 -3.419 -0.801 1.00 0.35 N ATOM 499 CA VAL A 29 -5.314 -2.026 -1.135 1.00 0.33 C ATOM 500 C VAL A 29 -5.020 -1.329 0.175 1.00 0.32 C ATOM 501 O VAL A 29 -5.808 -1.396 1.115 1.00 0.37 O ATOM 502 CB VAL A 29 -6.619 -1.577 -1.775 1.00 0.36 C ATOM 503 CG1 VAL A 29 -6.915 -0.104 -1.572 1.00 0.77 C ATOM 504 CG2 VAL A 29 -6.740 -1.972 -3.229 1.00 0.53 C ATOM 0 H VAL A 29 -6.189 -3.619 -0.136 1.00 0.35 H new ATOM 0 HA VAL A 29 -4.521 -1.802 -1.849 1.00 0.33 H new ATOM 0 HB VAL A 29 -7.390 -2.127 -1.236 1.00 0.36 H new ATOM 0 HG11 VAL A 29 -7.860 0.147 -2.054 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -6.984 0.110 -0.505 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -6.114 0.492 -2.010 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -7.694 -1.621 -3.623 1.00 0.53 H new ATOM 0 HG22 VAL A 29 -5.925 -1.523 -3.797 1.00 0.53 H new ATOM 0 HG23 VAL A 29 -6.689 -3.057 -3.317 1.00 0.53 H new ATOM 514 N TYR A 30 -3.870 -0.677 0.229 1.00 0.37 N ATOM 515 CA TYR A 30 -3.397 0.050 1.371 1.00 0.38 C ATOM 516 C TYR A 30 -3.230 1.514 1.000 1.00 0.36 C ATOM 517 O TYR A 30 -3.191 1.858 -0.182 1.00 0.53 O ATOM 518 CB TYR A 30 -2.053 -0.556 1.717 1.00 0.45 C ATOM 519 CG TYR A 30 -2.096 -1.885 2.420 1.00 0.45 C ATOM 520 CD1 TYR A 30 -2.146 -3.077 1.683 1.00 2.00 C ATOM 521 CD2 TYR A 30 -2.086 -1.928 3.819 1.00 1.70 C ATOM 522 CE1 TYR A 30 -2.130 -4.306 2.357 1.00 2.02 C ATOM 523 CE2 TYR A 30 -2.087 -3.164 4.481 1.00 1.69 C ATOM 524 CZ TYR A 30 -2.053 -4.362 3.757 1.00 0.61 C ATOM 525 OH TYR A 30 -2.030 -5.565 4.399 1.00 0.74 O ATOM 0 H TYR A 30 -3.223 -0.645 -0.559 1.00 0.37 H new ATOM 0 HA TYR A 30 -4.088 -0.008 2.212 1.00 0.38 H new ATOM 0 HB2 TYR A 30 -1.480 -0.671 0.797 1.00 0.45 H new ATOM 0 HB3 TYR A 30 -1.509 0.149 2.346 1.00 0.45 H new ATOM 0 HD1 TYR A 30 -2.196 -3.048 0.605 1.00 2.00 H new ATOM 0 HD2 TYR A 30 -2.078 -1.010 4.388 1.00 1.70 H new ATOM 0 HE1 TYR A 30 -2.178 -5.224 1.790 1.00 2.02 H new ATOM 0 HE2 TYR A 30 -2.114 -3.192 5.560 1.00 1.69 H new ATOM 0 HH TYR A 30 -1.724 -5.438 5.321 1.00 0.74 H new ATOM 535 N ASP A 31 -3.072 2.355 2.017 1.00 0.32 N ATOM 536 CA ASP A 31 -2.906 3.785 1.885 1.00 0.30 C ATOM 537 C ASP A 31 -1.987 4.279 2.971 1.00 0.29 C ATOM 538 O ASP A 31 -2.357 4.336 4.142 1.00 0.47 O ATOM 539 CB ASP A 31 -4.235 4.493 2.051 1.00 0.39 C ATOM 540 CG ASP A 31 -4.112 5.985 1.790 1.00 0.43 C ATOM 541 OD1 ASP A 31 -3.034 6.394 1.306 1.00 1.76 O ATOM 542 OD2 ASP A 31 -5.125 6.688 1.991 1.00 1.63 O ATOM 0 H ASP A 31 -3.057 2.041 2.987 1.00 0.32 H new ATOM 0 HA ASP A 31 -2.497 3.993 0.896 1.00 0.30 H new ATOM 0 HB2 ASP A 31 -4.965 4.062 1.366 1.00 0.39 H new ATOM 0 HB3 ASP A 31 -4.611 4.330 3.061 1.00 0.39 H new ATOM 547 N LEU A 32 -0.770 4.624 2.582 1.00 0.27 N ATOM 548 CA LEU A 32 0.211 5.096 3.526 1.00 0.35 C ATOM 549 C LEU A 32 0.418 6.583 3.294 1.00 0.30 C ATOM 550 O LEU A 32 1.486 7.109 3.567 1.00 0.38 O ATOM 551 CB LEU A 32 1.490 4.253 3.473 1.00 0.53 C ATOM 552 CG LEU A 32 1.429 2.964 2.656 1.00 0.36 C ATOM 553 CD1 LEU A 32 2.828 2.355 2.662 1.00 0.43 C ATOM 554 CD2 LEU A 32 0.408 1.986 3.243 1.00 0.49 C ATOM 0 H LEU A 32 -0.445 4.583 1.616 1.00 0.27 H new ATOM 0 HA LEU A 32 -0.141 4.973 4.550 1.00 0.35 H new ATOM 0 HB2 LEU A 32 2.290 4.874 3.070 1.00 0.53 H new ATOM 0 HB3 LEU A 32 1.770 3.995 4.494 1.00 0.53 H new ATOM 0 HG LEU A 32 1.109 3.178 1.636 1.00 0.36 H new ATOM 0 HD11 LEU A 32 2.824 1.429 2.086 1.00 0.43 H new ATOM 0 HD12 LEU A 32 3.532 3.057 2.216 1.00 0.43 H new ATOM 0 HD13 LEU A 32 3.128 2.143 3.688 1.00 0.43 H new ATOM 0 HD21 LEU A 32 0.386 1.078 2.641 1.00 0.49 H new ATOM 0 HD22 LEU A 32 0.690 1.737 4.266 1.00 0.49 H new ATOM 0 HD23 LEU A 32 -0.580 2.446 3.241 1.00 0.49 H new ATOM 566 N THR A 33 -0.604 7.293 2.818 1.00 0.29 N ATOM 567 CA THR A 33 -0.513 8.728 2.590 1.00 0.27 C ATOM 568 C THR A 33 -0.185 9.475 3.859 1.00 0.29 C ATOM 569 O THR A 33 0.683 10.343 3.860 1.00 0.41 O ATOM 570 CB THR A 33 -1.815 9.237 1.969 1.00 0.37 C ATOM 571 OG1 THR A 33 -1.478 9.566 0.654 1.00 0.87 O ATOM 572 CG2 THR A 33 -2.393 10.523 2.542 1.00 0.69 C ATOM 0 H THR A 33 -1.511 6.890 2.582 1.00 0.29 H new ATOM 0 HA THR A 33 0.305 8.913 1.894 1.00 0.27 H new ATOM 0 HB THR A 33 -2.558 8.457 2.135 1.00 0.37 H new ATOM 0 HG1 THR A 33 -0.907 10.362 0.652 1.00 0.87 H new ATOM 0 HG21 THR A 33 -3.314 10.774 2.016 1.00 0.69 H new ATOM 0 HG22 THR A 33 -2.607 10.385 3.602 1.00 0.69 H new ATOM 0 HG23 THR A 33 -1.673 11.332 2.419 1.00 0.69 H new ATOM 580 N LYS A 34 -0.878 9.144 4.945 1.00 0.32 N ATOM 581 CA LYS A 34 -0.638 9.828 6.200 1.00 0.36 C ATOM 582 C LYS A 34 0.534 9.175 6.921 1.00 0.32 C ATOM 583 O LYS A 34 0.954 9.650 7.965 1.00 0.39 O ATOM 584 CB LYS A 34 -1.934 9.836 7.023 1.00 0.48 C ATOM 585 CG LYS A 34 -2.074 11.120 7.852 1.00 1.16 C ATOM 586 CD LYS A 34 -1.728 10.871 9.319 1.00 1.10 C ATOM 587 CE LYS A 34 -1.943 12.138 10.144 1.00 1.97 C ATOM 588 NZ LYS A 34 -0.976 12.204 11.262 1.00 2.50 N ATOM 0 H LYS A 34 -1.596 8.420 4.977 1.00 0.32 H new ATOM 0 HA LYS A 34 -0.359 10.868 6.033 1.00 0.36 H new ATOM 0 HB2 LYS A 34 -2.790 9.740 6.355 1.00 0.48 H new ATOM 0 HB3 LYS A 34 -1.949 8.971 7.687 1.00 0.48 H new ATOM 0 HG2 LYS A 34 -1.418 11.891 7.447 1.00 1.16 H new ATOM 0 HG3 LYS A 34 -3.094 11.496 7.775 1.00 1.16 H new ATOM 0 HD2 LYS A 34 -2.347 10.065 9.713 1.00 1.10 H new ATOM 0 HD3 LYS A 34 -0.691 10.547 9.404 1.00 1.10 H new ATOM 0 HE2 LYS A 34 -1.831 13.016 9.508 1.00 1.97 H new ATOM 0 HE3 LYS A 34 -2.960 12.155 10.535 1.00 1.97 H new ATOM 0 HZ1 LYS A 34 -1.139 13.072 11.811 1.00 2.50 H new ATOM 0 HZ2 LYS A 34 -1.101 11.376 11.879 1.00 2.50 H new ATOM 0 HZ3 LYS A 34 -0.007 12.210 10.883 1.00 2.50 H new ATOM 602 N PHE A 35 1.071 8.093 6.355 1.00 0.26 N ATOM 603 CA PHE A 35 2.179 7.355 6.911 1.00 0.27 C ATOM 604 C PHE A 35 3.466 7.647 6.162 1.00 0.25 C ATOM 605 O PHE A 35 4.522 7.216 6.598 1.00 0.28 O ATOM 606 CB PHE A 35 1.884 5.876 6.765 1.00 0.29 C ATOM 607 CG PHE A 35 2.870 4.979 7.480 1.00 0.28 C ATOM 608 CD1 PHE A 35 3.143 5.165 8.846 1.00 2.16 C ATOM 609 CD2 PHE A 35 3.514 3.946 6.784 1.00 1.98 C ATOM 610 CE1 PHE A 35 4.039 4.310 9.513 1.00 2.22 C ATOM 611 CE2 PHE A 35 4.376 3.073 7.455 1.00 1.93 C ATOM 612 CZ PHE A 35 4.664 3.260 8.817 1.00 0.38 C ATOM 0 H PHE A 35 0.730 7.705 5.475 1.00 0.26 H new ATOM 0 HA PHE A 35 2.302 7.646 7.954 1.00 0.27 H new ATOM 0 HB2 PHE A 35 0.883 5.676 7.147 1.00 0.29 H new ATOM 0 HB3 PHE A 35 1.878 5.620 5.706 1.00 0.29 H new ATOM 0 HD1 PHE A 35 2.663 5.968 9.386 1.00 2.16 H new ATOM 0 HD2 PHE A 35 3.343 3.824 5.725 1.00 1.98 H new ATOM 0 HE1 PHE A 35 4.247 4.460 10.562 1.00 2.22 H new ATOM 0 HE2 PHE A 35 4.824 2.248 6.921 1.00 1.93 H new ATOM 0 HZ PHE A 35 5.357 2.605 9.324 1.00 0.38 H new ATOM 622 N LEU A 36 3.392 8.351 5.034 1.00 0.25 N ATOM 623 CA LEU A 36 4.549 8.715 4.239 1.00 0.30 C ATOM 624 C LEU A 36 5.602 9.322 5.133 1.00 0.36 C ATOM 625 O LEU A 36 6.639 8.711 5.362 1.00 0.42 O ATOM 626 CB LEU A 36 4.111 9.652 3.091 1.00 0.33 C ATOM 627 CG LEU A 36 3.603 8.981 1.807 1.00 0.43 C ATOM 628 CD1 LEU A 36 3.408 10.045 0.731 1.00 1.00 C ATOM 629 CD2 LEU A 36 4.565 7.916 1.304 1.00 0.57 C ATOM 0 H LEU A 36 2.510 8.687 4.646 1.00 0.25 H new ATOM 0 HA LEU A 36 4.995 7.834 3.777 1.00 0.30 H new ATOM 0 HB2 LEU A 36 3.324 10.306 3.467 1.00 0.33 H new ATOM 0 HB3 LEU A 36 4.957 10.289 2.830 1.00 0.33 H new ATOM 0 HG LEU A 36 2.657 8.489 2.033 1.00 0.43 H new ATOM 0 HD11 LEU A 36 3.047 9.575 -0.184 1.00 1.00 H new ATOM 0 HD12 LEU A 36 2.679 10.780 1.074 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.358 10.541 0.534 1.00 1.00 H new ATOM 0 HD21 LEU A 36 4.167 7.467 0.394 1.00 0.57 H new ATOM 0 HD22 LEU A 36 5.532 8.371 1.091 1.00 0.57 H new ATOM 0 HD23 LEU A 36 4.686 7.146 2.066 1.00 0.57 H new ATOM 641 N GLU A 37 5.304 10.463 5.730 1.00 0.51 N ATOM 642 CA GLU A 37 6.243 11.110 6.634 1.00 0.62 C ATOM 643 C GLU A 37 6.062 10.590 8.061 1.00 0.65 C ATOM 644 O GLU A 37 6.320 11.296 9.033 1.00 1.03 O ATOM 645 CB GLU A 37 6.038 12.617 6.537 1.00 0.79 C ATOM 646 CG GLU A 37 6.509 13.124 5.169 1.00 1.37 C ATOM 647 CD GLU A 37 5.749 14.387 4.768 1.00 1.85 C ATOM 648 OE1 GLU A 37 4.516 14.266 4.583 1.00 3.04 O ATOM 649 OE2 GLU A 37 6.393 15.452 4.649 1.00 2.41 O ATOM 0 H GLU A 37 4.422 10.961 5.607 1.00 0.51 H new ATOM 0 HA GLU A 37 7.269 10.877 6.351 1.00 0.62 H new ATOM 0 HB2 GLU A 37 4.985 12.859 6.681 1.00 0.79 H new ATOM 0 HB3 GLU A 37 6.592 13.119 7.330 1.00 0.79 H new ATOM 0 HG2 GLU A 37 7.578 13.333 5.202 1.00 1.37 H new ATOM 0 HG3 GLU A 37 6.358 12.349 4.417 1.00 1.37 H new ATOM 656 N GLU A 38 5.591 9.356 8.201 1.00 0.48 N ATOM 657 CA GLU A 38 5.388 8.701 9.478 1.00 0.55 C ATOM 658 C GLU A 38 5.929 7.267 9.461 1.00 0.56 C ATOM 659 O GLU A 38 5.740 6.548 10.441 1.00 0.83 O ATOM 660 CB GLU A 38 3.897 8.771 9.867 1.00 0.78 C ATOM 661 CG GLU A 38 3.651 9.715 11.049 1.00 1.15 C ATOM 662 CD GLU A 38 2.553 9.208 11.989 1.00 1.29 C ATOM 663 OE1 GLU A 38 1.375 9.175 11.560 1.00 1.99 O ATOM 664 OE2 GLU A 38 2.896 8.902 13.154 1.00 2.38 O ATOM 0 H GLU A 38 5.334 8.772 7.405 1.00 0.48 H new ATOM 0 HA GLU A 38 5.956 9.227 10.246 1.00 0.55 H new ATOM 0 HB2 GLU A 38 3.315 9.107 9.009 1.00 0.78 H new ATOM 0 HB3 GLU A 38 3.542 7.772 10.122 1.00 0.78 H new ATOM 0 HG2 GLU A 38 4.577 9.837 11.611 1.00 1.15 H new ATOM 0 HG3 GLU A 38 3.375 10.700 10.672 1.00 1.15 H new ATOM 671 N HIS A 39 6.621 6.846 8.389 1.00 0.43 N ATOM 672 CA HIS A 39 7.147 5.499 8.262 1.00 0.49 C ATOM 673 C HIS A 39 8.601 5.488 8.703 1.00 0.49 C ATOM 674 O HIS A 39 9.390 6.309 8.237 1.00 0.73 O ATOM 675 CB HIS A 39 6.990 4.967 6.840 1.00 0.62 C ATOM 676 CG HIS A 39 7.715 3.663 6.545 1.00 0.49 C ATOM 677 ND1 HIS A 39 8.773 3.599 5.703 1.00 0.71 N ATOM 678 CD2 HIS A 39 7.461 2.372 6.934 1.00 0.49 C ATOM 679 CE1 HIS A 39 9.135 2.330 5.510 1.00 0.76 C ATOM 680 NE2 HIS A 39 8.321 1.531 6.206 1.00 0.47 N ATOM 0 H HIS A 39 6.826 7.443 7.588 1.00 0.43 H new ATOM 0 HA HIS A 39 6.574 4.833 8.907 1.00 0.49 H new ATOM 0 HB2 HIS A 39 5.928 4.826 6.639 1.00 0.62 H new ATOM 0 HB3 HIS A 39 7.348 5.727 6.145 1.00 0.62 H new ATOM 0 HD1 HIS A 39 9.228 4.406 5.277 1.00 0.71 H new ATOM 0 HD2 HIS A 39 6.732 2.058 7.667 1.00 0.49 H new ATOM 0 HE1 HIS A 39 9.956 2.001 4.890 1.00 0.76 H new ATOM 688 N PRO A 40 8.965 4.561 9.595 1.00 0.62 N ATOM 689 CA PRO A 40 10.322 4.417 10.063 1.00 0.63 C ATOM 690 C PRO A 40 11.196 3.802 8.970 1.00 1.11 C ATOM 691 O PRO A 40 11.306 2.587 8.839 1.00 2.08 O ATOM 692 CB PRO A 40 10.233 3.563 11.326 1.00 0.87 C ATOM 693 CG PRO A 40 8.895 2.824 11.229 1.00 1.33 C ATOM 694 CD PRO A 40 8.081 3.575 10.191 1.00 1.11 C ATOM 0 HA PRO A 40 10.795 5.371 10.298 1.00 0.63 H new ATOM 0 HB2 PRO A 40 11.065 2.861 11.384 1.00 0.87 H new ATOM 0 HB3 PRO A 40 10.275 4.182 12.222 1.00 0.87 H new ATOM 0 HG2 PRO A 40 9.043 1.785 10.933 1.00 1.33 H new ATOM 0 HG3 PRO A 40 8.385 2.812 12.192 1.00 1.33 H new ATOM 0 HD2 PRO A 40 7.697 2.892 9.433 1.00 1.11 H new ATOM 0 HD3 PRO A 40 7.219 4.057 10.651 1.00 1.11 H new ATOM 702 N GLY A 41 11.818 4.666 8.166 1.00 0.66 N ATOM 703 CA GLY A 41 12.736 4.249 7.126 1.00 1.08 C ATOM 704 C GLY A 41 12.765 5.289 6.021 1.00 0.59 C ATOM 705 O GLY A 41 13.686 6.097 5.946 1.00 0.82 O ATOM 0 H GLY A 41 11.693 5.677 8.225 1.00 0.66 H new ATOM 0 HA2 GLY A 41 13.735 4.118 7.541 1.00 1.08 H new ATOM 0 HA3 GLY A 41 12.429 3.284 6.722 1.00 1.08 H new ATOM 709 N GLY A 42 11.756 5.263 5.157 1.00 0.47 N ATOM 710 CA GLY A 42 11.648 6.191 4.046 1.00 0.66 C ATOM 711 C GLY A 42 10.208 6.394 3.603 1.00 0.49 C ATOM 712 O GLY A 42 9.343 5.564 3.823 1.00 1.01 O ATOM 0 H GLY A 42 10.989 4.593 5.211 1.00 0.47 H new ATOM 0 HA2 GLY A 42 12.076 7.151 4.334 1.00 0.66 H new ATOM 0 HA3 GLY A 42 12.235 5.819 3.206 1.00 0.66 H new ATOM 716 N GLU A 43 9.955 7.461 2.874 1.00 0.50 N ATOM 717 CA GLU A 43 8.629 7.753 2.336 1.00 0.39 C ATOM 718 C GLU A 43 8.614 7.633 0.817 1.00 0.37 C ATOM 719 O GLU A 43 7.591 7.345 0.200 1.00 0.37 O ATOM 720 CB GLU A 43 8.243 9.155 2.783 1.00 0.57 C ATOM 721 CG GLU A 43 9.088 10.241 2.109 1.00 0.98 C ATOM 722 CD GLU A 43 9.436 11.382 3.060 1.00 1.96 C ATOM 723 OE1 GLU A 43 9.849 11.075 4.201 1.00 3.21 O ATOM 724 OE2 GLU A 43 9.337 12.537 2.596 1.00 2.83 O ATOM 0 H GLU A 43 10.661 8.157 2.633 1.00 0.50 H new ATOM 0 HA GLU A 43 7.905 7.030 2.712 1.00 0.39 H new ATOM 0 HB2 GLU A 43 7.190 9.327 2.559 1.00 0.57 H new ATOM 0 HB3 GLU A 43 8.355 9.231 3.865 1.00 0.57 H new ATOM 0 HG2 GLU A 43 10.007 9.797 1.727 1.00 0.98 H new ATOM 0 HG3 GLU A 43 8.546 10.639 1.251 1.00 0.98 H new ATOM 731 N GLU A 44 9.774 7.830 0.192 1.00 0.44 N ATOM 732 CA GLU A 44 9.854 7.744 -1.258 1.00 0.47 C ATOM 733 C GLU A 44 9.685 6.317 -1.699 1.00 0.44 C ATOM 734 O GLU A 44 8.972 6.081 -2.665 1.00 0.43 O ATOM 735 CB GLU A 44 11.193 8.239 -1.768 1.00 0.59 C ATOM 736 CG GLU A 44 11.294 8.132 -3.307 1.00 1.19 C ATOM 737 CD GLU A 44 12.687 7.704 -3.758 1.00 2.17 C ATOM 738 OE1 GLU A 44 13.221 6.758 -3.137 1.00 3.50 O ATOM 739 OE2 GLU A 44 13.187 8.329 -4.717 1.00 2.70 O ATOM 0 H GLU A 44 10.654 8.046 0.660 1.00 0.44 H new ATOM 0 HA GLU A 44 9.060 8.370 -1.665 1.00 0.47 H new ATOM 0 HB2 GLU A 44 11.337 9.276 -1.465 1.00 0.59 H new ATOM 0 HB3 GLU A 44 11.994 7.659 -1.310 1.00 0.59 H new ATOM 0 HG2 GLU A 44 10.559 7.414 -3.670 1.00 1.19 H new ATOM 0 HG3 GLU A 44 11.047 9.095 -3.755 1.00 1.19 H new ATOM 746 N VAL A 45 10.251 5.358 -0.966 1.00 0.46 N ATOM 747 CA VAL A 45 9.989 3.964 -1.293 1.00 0.46 C ATOM 748 C VAL A 45 8.492 3.680 -1.397 1.00 0.41 C ATOM 749 O VAL A 45 8.061 2.797 -2.139 1.00 0.47 O ATOM 750 CB VAL A 45 10.643 3.084 -0.233 1.00 0.52 C ATOM 751 CG1 VAL A 45 12.159 3.108 -0.420 1.00 0.96 C ATOM 752 CG2 VAL A 45 10.252 3.480 1.202 1.00 0.98 C ATOM 0 H VAL A 45 10.871 5.514 -0.171 1.00 0.46 H new ATOM 0 HA VAL A 45 10.415 3.740 -2.271 1.00 0.46 H new ATOM 0 HB VAL A 45 10.273 2.068 -0.370 1.00 0.52 H new ATOM 0 HG11 VAL A 45 12.629 2.480 0.337 1.00 0.96 H new ATOM 0 HG12 VAL A 45 12.409 2.731 -1.412 1.00 0.96 H new ATOM 0 HG13 VAL A 45 12.522 4.131 -0.319 1.00 0.96 H new ATOM 0 HG21 VAL A 45 10.749 2.817 1.911 1.00 0.98 H new ATOM 0 HG22 VAL A 45 10.558 4.509 1.392 1.00 0.98 H new ATOM 0 HG23 VAL A 45 9.172 3.395 1.322 1.00 0.98 H new ATOM 762 N LEU A 46 7.682 4.481 -0.701 1.00 0.40 N ATOM 763 CA LEU A 46 6.244 4.190 -0.720 1.00 0.36 C ATOM 764 C LEU A 46 5.627 4.720 -2.011 1.00 0.33 C ATOM 765 O LEU A 46 4.641 4.190 -2.516 1.00 0.37 O ATOM 766 CB LEU A 46 5.562 4.804 0.499 1.00 0.38 C ATOM 767 CG LEU A 46 6.267 4.504 1.832 1.00 0.39 C ATOM 768 CD1 LEU A 46 5.347 4.747 3.036 1.00 0.55 C ATOM 769 CD2 LEU A 46 6.805 3.074 1.934 1.00 0.42 C ATOM 0 H LEU A 46 7.970 5.288 -0.149 1.00 0.40 H new ATOM 0 HA LEU A 46 6.097 3.111 -0.681 1.00 0.36 H new ATOM 0 HB2 LEU A 46 5.507 5.884 0.365 1.00 0.38 H new ATOM 0 HB3 LEU A 46 4.537 4.436 0.552 1.00 0.38 H new ATOM 0 HG LEU A 46 7.109 5.196 1.851 1.00 0.39 H new ATOM 0 HD11 LEU A 46 5.886 4.523 3.957 1.00 0.55 H new ATOM 0 HD12 LEU A 46 5.029 5.790 3.046 1.00 0.55 H new ATOM 0 HD13 LEU A 46 4.472 4.102 2.961 1.00 0.55 H new ATOM 0 HD21 LEU A 46 7.289 2.935 2.901 1.00 0.42 H new ATOM 0 HD22 LEU A 46 5.981 2.367 1.836 1.00 0.42 H new ATOM 0 HD23 LEU A 46 7.529 2.900 1.138 1.00 0.42 H new ATOM 781 N ARG A 47 6.246 5.758 -2.565 1.00 0.32 N ATOM 782 CA ARG A 47 5.888 6.343 -3.842 1.00 0.34 C ATOM 783 C ARG A 47 6.480 5.570 -5.012 1.00 0.35 C ATOM 784 O ARG A 47 5.897 5.564 -6.087 1.00 0.40 O ATOM 785 CB ARG A 47 6.363 7.789 -3.875 1.00 0.41 C ATOM 786 CG ARG A 47 5.284 8.683 -4.490 1.00 0.84 C ATOM 787 CD ARG A 47 5.735 10.148 -4.514 1.00 1.18 C ATOM 788 NE ARG A 47 5.514 10.816 -3.218 1.00 3.01 N ATOM 789 CZ ARG A 47 6.368 10.845 -2.185 1.00 4.60 C ATOM 790 NH1 ARG A 47 7.568 10.277 -2.272 1.00 4.68 N ATOM 791 NH2 ARG A 47 6.022 11.449 -1.050 1.00 6.63 N ATOM 0 H ARG A 47 7.035 6.226 -2.119 1.00 0.32 H new ATOM 0 HA ARG A 47 4.804 6.299 -3.946 1.00 0.34 H new ATOM 0 HB2 ARG A 47 6.594 8.127 -2.865 1.00 0.41 H new ATOM 0 HB3 ARG A 47 7.283 7.865 -4.455 1.00 0.41 H new ATOM 0 HG2 ARG A 47 5.064 8.349 -5.504 1.00 0.84 H new ATOM 0 HG3 ARG A 47 4.361 8.592 -3.918 1.00 0.84 H new ATOM 0 HD2 ARG A 47 6.793 10.197 -4.771 1.00 1.18 H new ATOM 0 HD3 ARG A 47 5.192 10.682 -5.294 1.00 1.18 H new ATOM 0 HE ARG A 47 4.626 11.303 -3.096 1.00 3.01 H new ATOM 0 HH11 ARG A 47 7.850 9.810 -3.134 1.00 4.68 H new ATOM 0 HH12 ARG A 47 8.206 10.308 -1.477 1.00 4.68 H new ATOM 0 HH21 ARG A 47 5.106 11.890 -0.966 1.00 6.63 H new ATOM 0 HH22 ARG A 47 6.673 11.470 -0.265 1.00 6.63 H new ATOM 805 N GLU A 48 7.605 4.887 -4.812 1.00 0.36 N ATOM 806 CA GLU A 48 8.259 4.114 -5.861 1.00 0.39 C ATOM 807 C GLU A 48 7.402 2.909 -6.224 1.00 0.38 C ATOM 808 O GLU A 48 7.518 2.364 -7.315 1.00 0.47 O ATOM 809 CB GLU A 48 9.652 3.671 -5.383 1.00 0.45 C ATOM 810 CG GLU A 48 10.779 4.418 -6.110 1.00 0.55 C ATOM 811 CD GLU A 48 11.529 3.493 -7.069 1.00 0.86 C ATOM 812 OE1 GLU A 48 10.944 3.173 -8.126 1.00 1.98 O ATOM 813 OE2 GLU A 48 12.672 3.111 -6.732 1.00 1.81 O ATOM 0 H GLU A 48 8.089 4.855 -3.915 1.00 0.36 H new ATOM 0 HA GLU A 48 8.378 4.732 -6.751 1.00 0.39 H new ATOM 0 HB2 GLU A 48 9.738 3.843 -4.310 1.00 0.45 H new ATOM 0 HB3 GLU A 48 9.766 2.599 -5.544 1.00 0.45 H new ATOM 0 HG2 GLU A 48 10.363 5.259 -6.664 1.00 0.55 H new ATOM 0 HG3 GLU A 48 11.475 4.830 -5.380 1.00 0.55 H new ATOM 820 N GLN A 49 6.503 2.520 -5.323 1.00 0.33 N ATOM 821 CA GLN A 49 5.581 1.427 -5.550 1.00 0.35 C ATOM 822 C GLN A 49 4.141 1.899 -5.424 1.00 0.36 C ATOM 823 O GLN A 49 3.216 1.090 -5.433 1.00 0.39 O ATOM 824 CB GLN A 49 5.874 0.347 -4.524 1.00 0.36 C ATOM 825 CG GLN A 49 7.314 -0.167 -4.640 1.00 0.40 C ATOM 826 CD GLN A 49 7.523 -1.012 -5.894 1.00 0.85 C ATOM 827 OE1 GLN A 49 6.600 -1.229 -6.666 1.00 1.61 O ATOM 828 NE2 GLN A 49 8.738 -1.504 -6.095 1.00 0.87 N ATOM 0 H GLN A 49 6.399 2.963 -4.410 1.00 0.33 H new ATOM 0 HA GLN A 49 5.710 1.037 -6.559 1.00 0.35 H new ATOM 0 HB2 GLN A 49 5.708 0.742 -3.522 1.00 0.36 H new ATOM 0 HB3 GLN A 49 5.179 -0.482 -4.659 1.00 0.36 H new ATOM 0 HG2 GLN A 49 8.000 0.680 -4.655 1.00 0.40 H new ATOM 0 HG3 GLN A 49 7.559 -0.760 -3.759 1.00 0.40 H new ATOM 0 HE21 GLN A 49 9.486 -1.303 -5.431 1.00 0.87 H new ATOM 0 HE22 GLN A 49 8.925 -2.083 -6.914 1.00 0.87 H new ATOM 837 N ALA A 50 3.944 3.207 -5.267 1.00 0.39 N ATOM 838 CA ALA A 50 2.626 3.785 -5.159 1.00 0.44 C ATOM 839 C ALA A 50 1.731 3.316 -6.303 1.00 0.41 C ATOM 840 O ALA A 50 2.187 3.168 -7.435 1.00 0.43 O ATOM 841 CB ALA A 50 2.712 5.302 -5.186 1.00 0.53 C ATOM 0 H ALA A 50 4.701 3.888 -5.212 1.00 0.39 H new ATOM 0 HA ALA A 50 2.195 3.459 -4.213 1.00 0.44 H new ATOM 0 HB1 ALA A 50 1.711 5.725 -5.104 1.00 0.53 H new ATOM 0 HB2 ALA A 50 3.321 5.647 -4.350 1.00 0.53 H new ATOM 0 HB3 ALA A 50 3.166 5.624 -6.123 1.00 0.53 H new ATOM 847 N GLY A 51 0.441 3.129 -6.016 1.00 0.44 N ATOM 848 CA GLY A 51 -0.545 2.582 -6.934 1.00 0.47 C ATOM 849 C GLY A 51 -0.010 1.352 -7.675 1.00 0.48 C ATOM 850 O GLY A 51 -0.384 1.128 -8.823 1.00 0.59 O ATOM 0 H GLY A 51 0.046 3.364 -5.105 1.00 0.44 H new ATOM 0 HA2 GLY A 51 -1.445 2.311 -6.382 1.00 0.47 H new ATOM 0 HA3 GLY A 51 -0.832 3.346 -7.657 1.00 0.47 H new ATOM 854 N GLY A 52 0.879 0.579 -7.042 1.00 0.44 N ATOM 855 CA GLY A 52 1.627 -0.502 -7.652 1.00 0.48 C ATOM 856 C GLY A 52 1.965 -1.533 -6.583 1.00 0.49 C ATOM 857 O GLY A 52 1.541 -1.402 -5.440 1.00 0.48 O ATOM 0 H GLY A 52 1.098 0.702 -6.053 1.00 0.44 H new ATOM 0 HA2 GLY A 52 1.042 -0.963 -8.448 1.00 0.48 H new ATOM 0 HA3 GLY A 52 2.540 -0.118 -8.108 1.00 0.48 H new ATOM 861 N ASP A 53 2.683 -2.591 -6.936 1.00 0.55 N ATOM 862 CA ASP A 53 2.986 -3.708 -6.070 1.00 0.58 C ATOM 863 C ASP A 53 4.267 -3.444 -5.292 1.00 0.58 C ATOM 864 O ASP A 53 5.364 -3.685 -5.769 1.00 0.67 O ATOM 865 CB ASP A 53 3.084 -5.016 -6.874 1.00 0.61 C ATOM 866 CG ASP A 53 3.180 -4.880 -8.398 1.00 2.25 C ATOM 867 OD1 ASP A 53 4.049 -4.122 -8.875 1.00 3.73 O ATOM 868 OD2 ASP A 53 2.305 -5.471 -9.066 1.00 3.14 O ATOM 0 H ASP A 53 3.082 -2.692 -7.869 1.00 0.55 H new ATOM 0 HA ASP A 53 2.171 -3.820 -5.355 1.00 0.58 H new ATOM 0 HB2 ASP A 53 3.958 -5.565 -6.525 1.00 0.61 H new ATOM 0 HB3 ASP A 53 2.211 -5.625 -6.641 1.00 0.61 H new ATOM 873 N ALA A 54 4.145 -3.017 -4.036 1.00 0.56 N ATOM 874 CA ALA A 54 5.327 -2.772 -3.225 1.00 0.60 C ATOM 875 C ALA A 54 5.739 -4.035 -2.477 1.00 0.67 C ATOM 876 O ALA A 54 6.708 -4.015 -1.726 1.00 0.70 O ATOM 877 CB ALA A 54 5.058 -1.612 -2.262 1.00 0.59 C ATOM 0 H ALA A 54 3.256 -2.838 -3.569 1.00 0.56 H new ATOM 0 HA ALA A 54 6.157 -2.495 -3.875 1.00 0.60 H new ATOM 0 HB1 ALA A 54 5.945 -1.430 -1.655 1.00 0.59 H new ATOM 0 HB2 ALA A 54 4.818 -0.714 -2.832 1.00 0.59 H new ATOM 0 HB3 ALA A 54 4.220 -1.865 -1.613 1.00 0.59 H new ATOM 883 N THR A 55 4.986 -5.128 -2.638 1.00 0.70 N ATOM 884 CA THR A 55 5.187 -6.378 -1.945 1.00 0.77 C ATOM 885 C THR A 55 6.601 -6.867 -2.142 1.00 0.84 C ATOM 886 O THR A 55 7.215 -7.256 -1.164 1.00 0.91 O ATOM 887 CB THR A 55 4.161 -7.389 -2.461 1.00 0.86 C ATOM 888 OG1 THR A 55 2.835 -6.960 -2.215 1.00 1.08 O ATOM 889 CG2 THR A 55 4.375 -8.727 -1.785 1.00 1.10 C ATOM 0 H THR A 55 4.194 -5.154 -3.281 1.00 0.70 H new ATOM 0 HA THR A 55 5.043 -6.244 -0.873 1.00 0.77 H new ATOM 0 HB THR A 55 4.302 -7.479 -3.538 1.00 0.86 H new ATOM 0 HG1 THR A 55 2.357 -6.871 -3.066 1.00 1.08 H new ATOM 0 HG21 THR A 55 3.642 -9.443 -2.156 1.00 1.10 H new ATOM 0 HG22 THR A 55 5.379 -9.089 -2.005 1.00 1.10 H new ATOM 0 HG23 THR A 55 4.258 -8.613 -0.707 1.00 1.10 H new ATOM 897 N GLU A 56 7.137 -6.786 -3.359 1.00 0.86 N ATOM 898 CA GLU A 56 8.518 -7.151 -3.633 1.00 0.97 C ATOM 899 C GLU A 56 9.474 -6.579 -2.587 1.00 0.83 C ATOM 900 O GLU A 56 10.354 -7.292 -2.125 1.00 0.93 O ATOM 901 CB GLU A 56 8.895 -6.674 -5.042 1.00 1.17 C ATOM 902 CG GLU A 56 8.727 -5.152 -5.197 1.00 3.19 C ATOM 903 CD GLU A 56 8.891 -4.714 -6.648 1.00 3.98 C ATOM 904 OE1 GLU A 56 7.963 -4.977 -7.437 1.00 4.31 O ATOM 905 OE2 GLU A 56 9.937 -4.095 -6.947 1.00 4.89 O ATOM 0 H GLU A 56 6.623 -6.465 -4.180 1.00 0.86 H new ATOM 0 HA GLU A 56 8.609 -8.236 -3.581 1.00 0.97 H new ATOM 0 HB2 GLU A 56 9.928 -6.949 -5.254 1.00 1.17 H new ATOM 0 HB3 GLU A 56 8.273 -7.185 -5.777 1.00 1.17 H new ATOM 0 HG2 GLU A 56 7.742 -4.855 -4.836 1.00 3.19 H new ATOM 0 HG3 GLU A 56 9.462 -4.639 -4.576 1.00 3.19 H new ATOM 912 N ASN A 57 9.261 -5.326 -2.175 1.00 0.75 N ATOM 913 CA ASN A 57 10.063 -4.652 -1.165 1.00 0.69 C ATOM 914 C ASN A 57 9.685 -5.132 0.214 1.00 0.56 C ATOM 915 O ASN A 57 10.544 -5.564 0.971 1.00 0.55 O ATOM 916 CB ASN A 57 9.827 -3.142 -1.184 1.00 0.77 C ATOM 917 CG ASN A 57 10.869 -2.445 -2.025 1.00 1.04 C ATOM 918 OD1 ASN A 57 11.994 -2.248 -1.586 1.00 2.43 O ATOM 919 ND2 ASN A 57 10.508 -2.064 -3.240 1.00 1.48 N ATOM 0 H ASN A 57 8.509 -4.745 -2.546 1.00 0.75 H new ATOM 0 HA ASN A 57 11.105 -4.877 -1.391 1.00 0.69 H new ATOM 0 HB2 ASN A 57 8.834 -2.930 -1.579 1.00 0.77 H new ATOM 0 HB3 ASN A 57 9.855 -2.753 -0.166 1.00 0.77 H new ATOM 0 HD21 ASN A 57 11.177 -1.589 -3.845 1.00 1.48 H new ATOM 0 HD22 ASN A 57 9.561 -2.246 -3.571 1.00 1.48 H new ATOM 926 N PHE A 58 8.401 -5.002 0.554 1.00 0.52 N ATOM 927 CA PHE A 58 7.887 -5.408 1.864 1.00 0.44 C ATOM 928 C PHE A 58 8.374 -6.805 2.271 1.00 0.43 C ATOM 929 O PHE A 58 8.597 -7.068 3.453 1.00 0.47 O ATOM 930 CB PHE A 58 6.362 -5.379 1.801 1.00 0.56 C ATOM 931 CG PHE A 58 5.671 -5.224 3.137 1.00 0.77 C ATOM 932 CD1 PHE A 58 5.521 -3.942 3.692 1.00 2.59 C ATOM 933 CD2 PHE A 58 5.150 -6.343 3.811 1.00 1.60 C ATOM 934 CE1 PHE A 58 4.860 -3.786 4.921 1.00 2.93 C ATOM 935 CE2 PHE A 58 4.484 -6.178 5.038 1.00 1.59 C ATOM 936 CZ PHE A 58 4.339 -4.897 5.597 1.00 1.59 C ATOM 0 H PHE A 58 7.691 -4.614 -0.067 1.00 0.52 H new ATOM 0 HA PHE A 58 8.259 -4.716 2.619 1.00 0.44 H new ATOM 0 HB2 PHE A 58 6.056 -4.558 1.153 1.00 0.56 H new ATOM 0 HB3 PHE A 58 6.015 -6.301 1.334 1.00 0.56 H new ATOM 0 HD1 PHE A 58 5.913 -3.079 3.175 1.00 2.59 H new ATOM 0 HD2 PHE A 58 5.262 -7.329 3.386 1.00 1.60 H new ATOM 0 HE1 PHE A 58 4.752 -2.800 5.349 1.00 2.93 H new ATOM 0 HE2 PHE A 58 4.083 -7.038 5.553 1.00 1.59 H new ATOM 0 HZ PHE A 58 3.830 -4.770 6.541 1.00 1.59 H new ATOM 946 N GLU A 59 8.565 -7.674 1.279 1.00 0.61 N ATOM 947 CA GLU A 59 9.064 -9.025 1.425 1.00 0.72 C ATOM 948 C GLU A 59 10.582 -9.047 1.425 1.00 0.70 C ATOM 949 O GLU A 59 11.156 -9.733 2.262 1.00 0.72 O ATOM 950 CB GLU A 59 8.554 -9.893 0.267 1.00 0.99 C ATOM 951 CG GLU A 59 7.295 -10.649 0.686 1.00 1.19 C ATOM 952 CD GLU A 59 7.650 -11.850 1.566 1.00 1.34 C ATOM 953 OE1 GLU A 59 7.997 -11.619 2.746 1.00 2.12 O ATOM 954 OE2 GLU A 59 7.546 -12.986 1.055 1.00 2.30 O ATOM 0 H GLU A 59 8.364 -7.435 0.308 1.00 0.61 H new ATOM 0 HA GLU A 59 8.705 -9.418 2.376 1.00 0.72 H new ATOM 0 HB2 GLU A 59 8.339 -9.267 -0.599 1.00 0.99 H new ATOM 0 HB3 GLU A 59 9.327 -10.600 -0.035 1.00 0.99 H new ATOM 0 HG2 GLU A 59 6.627 -9.980 1.228 1.00 1.19 H new ATOM 0 HG3 GLU A 59 6.757 -10.988 -0.199 1.00 1.19 H new ATOM 961 N ASP A 60 11.231 -8.308 0.515 1.00 0.76 N ATOM 962 CA ASP A 60 12.690 -8.241 0.422 1.00 0.86 C ATOM 963 C ASP A 60 13.256 -7.965 1.796 1.00 0.70 C ATOM 964 O ASP A 60 14.085 -8.709 2.319 1.00 0.77 O ATOM 965 CB ASP A 60 13.151 -7.096 -0.509 1.00 1.10 C ATOM 966 CG ASP A 60 14.165 -7.508 -1.572 1.00 1.41 C ATOM 967 OD1 ASP A 60 14.567 -8.692 -1.591 1.00 1.70 O ATOM 968 OD2 ASP A 60 14.549 -6.607 -2.351 1.00 2.54 O ATOM 0 H ASP A 60 10.752 -7.737 -0.181 1.00 0.76 H new ATOM 0 HA ASP A 60 13.041 -9.192 0.021 1.00 0.86 H new ATOM 0 HB2 ASP A 60 12.276 -6.674 -1.005 1.00 1.10 H new ATOM 0 HB3 ASP A 60 13.585 -6.303 0.100 1.00 1.10 H new ATOM 973 N VAL A 61 12.792 -6.862 2.384 1.00 0.65 N ATOM 974 CA VAL A 61 13.260 -6.491 3.690 1.00 0.68 C ATOM 975 C VAL A 61 12.788 -7.517 4.704 1.00 0.50 C ATOM 976 O VAL A 61 13.514 -7.824 5.649 1.00 0.73 O ATOM 977 CB VAL A 61 12.838 -5.069 4.060 1.00 0.89 C ATOM 978 CG1 VAL A 61 11.315 -4.949 4.030 1.00 1.82 C ATOM 979 CG2 VAL A 61 13.346 -4.653 5.450 1.00 2.65 C ATOM 0 H VAL A 61 12.105 -6.229 1.974 1.00 0.65 H new ATOM 0 HA VAL A 61 14.350 -6.486 3.689 1.00 0.68 H new ATOM 0 HB VAL A 61 13.286 -4.402 3.323 1.00 0.89 H new ATOM 0 HG11 VAL A 61 11.025 -3.932 4.295 1.00 1.82 H new ATOM 0 HG12 VAL A 61 10.951 -5.181 3.029 1.00 1.82 H new ATOM 0 HG13 VAL A 61 10.881 -5.648 4.745 1.00 1.82 H new ATOM 0 HG21 VAL A 61 13.021 -3.636 5.667 1.00 2.65 H new ATOM 0 HG22 VAL A 61 12.943 -5.331 6.202 1.00 2.65 H new ATOM 0 HG23 VAL A 61 14.435 -4.697 5.468 1.00 2.65 H new ATOM 989 N GLY A 62 11.582 -8.058 4.503 1.00 0.40 N ATOM 990 CA GLY A 62 11.143 -9.166 5.321 1.00 0.67 C ATOM 991 C GLY A 62 10.626 -8.571 6.619 1.00 0.75 C ATOM 992 O GLY A 62 11.125 -8.894 7.695 1.00 1.62 O ATOM 0 H GLY A 62 10.915 -7.748 3.796 1.00 0.40 H new ATOM 0 HA2 GLY A 62 10.361 -9.734 4.817 1.00 0.67 H new ATOM 0 HA3 GLY A 62 11.965 -9.856 5.512 1.00 0.67 H new ATOM 996 N HIS A 63 9.677 -7.630 6.483 1.00 0.69 N ATOM 997 CA HIS A 63 9.259 -6.690 7.522 1.00 0.58 C ATOM 998 C HIS A 63 8.979 -7.354 8.865 1.00 0.67 C ATOM 999 O HIS A 63 8.572 -8.514 8.931 1.00 1.34 O ATOM 1000 CB HIS A 63 7.982 -5.937 7.094 1.00 0.53 C ATOM 1001 CG HIS A 63 8.195 -4.611 6.410 1.00 0.46 C ATOM 1002 ND1 HIS A 63 8.568 -4.464 5.107 1.00 0.41 N ATOM 1003 CD2 HIS A 63 8.003 -3.360 6.936 1.00 0.44 C ATOM 1004 CE1 HIS A 63 8.648 -3.147 4.847 1.00 0.37 C ATOM 1005 NE2 HIS A 63 8.304 -2.431 5.932 1.00 0.36 N ATOM 0 H HIS A 63 9.164 -7.503 5.611 1.00 0.69 H new ATOM 0 HA HIS A 63 10.099 -6.006 7.646 1.00 0.58 H new ATOM 0 HB2 HIS A 63 7.411 -6.581 6.425 1.00 0.53 H new ATOM 0 HB3 HIS A 63 7.367 -5.772 7.979 1.00 0.53 H new ATOM 0 HD1 HIS A 63 8.753 -5.219 4.447 1.00 0.41 H new ATOM 0 HD2 HIS A 63 7.679 -3.132 7.941 1.00 0.44 H new ATOM 0 HE1 HIS A 63 8.947 -2.724 3.899 1.00 0.37 H new ATOM 1013 N SER A 64 9.099 -6.568 9.940 1.00 0.44 N ATOM 1014 CA SER A 64 8.710 -7.012 11.263 1.00 0.52 C ATOM 1015 C SER A 64 7.191 -7.219 11.375 1.00 0.50 C ATOM 1016 O SER A 64 6.400 -6.800 10.526 1.00 0.49 O ATOM 1017 CB SER A 64 9.229 -6.006 12.300 1.00 0.66 C ATOM 1018 OG SER A 64 8.890 -4.691 11.941 1.00 2.04 O ATOM 0 H SER A 64 9.466 -5.617 9.909 1.00 0.44 H new ATOM 0 HA SER A 64 9.159 -7.986 11.457 1.00 0.52 H new ATOM 0 HB2 SER A 64 8.810 -6.239 13.279 1.00 0.66 H new ATOM 0 HB3 SER A 64 10.312 -6.095 12.388 1.00 0.66 H new ATOM 0 HG SER A 64 9.230 -4.069 12.618 1.00 2.04 H new ATOM 1024 N THR A 65 6.767 -7.863 12.463 1.00 0.61 N ATOM 1025 CA THR A 65 5.370 -8.165 12.701 1.00 0.69 C ATOM 1026 C THR A 65 4.613 -6.912 13.124 1.00 0.65 C ATOM 1027 O THR A 65 3.533 -6.654 12.602 1.00 0.67 O ATOM 1028 CB THR A 65 5.301 -9.263 13.758 1.00 0.89 C ATOM 1029 OG1 THR A 65 5.841 -10.438 13.192 1.00 1.04 O ATOM 1030 CG2 THR A 65 3.869 -9.525 14.205 1.00 0.98 C ATOM 0 H THR A 65 7.391 -8.188 13.202 1.00 0.61 H new ATOM 0 HA THR A 65 4.892 -8.518 11.787 1.00 0.69 H new ATOM 0 HB THR A 65 5.864 -8.950 14.637 1.00 0.89 H new ATOM 0 HG1 THR A 65 5.811 -11.162 13.851 1.00 1.04 H new ATOM 0 HG21 THR A 65 3.861 -10.313 14.958 1.00 0.98 H new ATOM 0 HG22 THR A 65 3.448 -8.614 14.629 1.00 0.98 H new ATOM 0 HG23 THR A 65 3.271 -9.836 13.348 1.00 0.98 H new ATOM 1038 N ASP A 66 5.196 -6.092 14.001 1.00 0.68 N ATOM 1039 CA ASP A 66 4.583 -4.824 14.410 1.00 0.75 C ATOM 1040 C ASP A 66 4.282 -3.962 13.178 1.00 0.62 C ATOM 1041 O ASP A 66 3.308 -3.218 13.109 1.00 0.66 O ATOM 1042 CB ASP A 66 5.559 -4.063 15.332 1.00 0.92 C ATOM 1043 CG ASP A 66 4.978 -3.674 16.691 1.00 1.51 C ATOM 1044 OD1 ASP A 66 3.760 -3.854 16.888 1.00 2.39 O ATOM 1045 OD2 ASP A 66 5.788 -3.211 17.523 1.00 2.35 O ATOM 0 H ASP A 66 6.095 -6.283 14.444 1.00 0.68 H new ATOM 0 HA ASP A 66 3.652 -5.032 14.938 1.00 0.75 H new ATOM 0 HB2 ASP A 66 6.443 -4.681 15.493 1.00 0.92 H new ATOM 0 HB3 ASP A 66 5.891 -3.159 14.821 1.00 0.92 H new ATOM 1050 N ALA A 67 5.126 -4.094 12.156 1.00 0.51 N ATOM 1051 CA ALA A 67 4.996 -3.390 10.897 1.00 0.44 C ATOM 1052 C ALA A 67 3.786 -3.999 10.146 1.00 0.40 C ATOM 1053 O ALA A 67 2.924 -3.291 9.631 1.00 0.50 O ATOM 1054 CB ALA A 67 6.385 -3.516 10.194 1.00 0.55 C ATOM 0 H ALA A 67 5.937 -4.711 12.189 1.00 0.51 H new ATOM 0 HA ALA A 67 4.776 -2.325 10.970 1.00 0.44 H new ATOM 0 HB1 ALA A 67 6.354 -3.003 9.233 1.00 0.55 H new ATOM 0 HB2 ALA A 67 7.153 -3.064 10.822 1.00 0.55 H new ATOM 0 HB3 ALA A 67 6.619 -4.569 10.036 1.00 0.55 H new ATOM 1060 N ARG A 68 3.617 -5.324 10.164 1.00 0.39 N ATOM 1061 CA ARG A 68 2.451 -5.948 9.544 1.00 0.47 C ATOM 1062 C ARG A 68 1.138 -5.517 10.241 1.00 0.53 C ATOM 1063 O ARG A 68 0.072 -5.699 9.655 1.00 0.62 O ATOM 1064 CB ARG A 68 2.559 -7.484 9.624 1.00 0.62 C ATOM 1065 CG ARG A 68 2.751 -8.074 8.224 1.00 1.16 C ATOM 1066 CD ARG A 68 3.598 -9.346 8.259 1.00 1.82 C ATOM 1067 NE ARG A 68 2.781 -10.549 8.461 1.00 2.14 N ATOM 1068 CZ ARG A 68 3.222 -11.797 8.259 1.00 2.67 C ATOM 1069 NH1 ARG A 68 4.485 -12.007 7.885 1.00 3.45 N ATOM 1070 NH2 ARG A 68 2.396 -12.829 8.424 1.00 3.13 N ATOM 0 H ARG A 68 4.268 -5.978 10.598 1.00 0.39 H new ATOM 0 HA ARG A 68 2.429 -5.622 8.504 1.00 0.47 H new ATOM 0 HB2 ARG A 68 3.397 -7.764 10.263 1.00 0.62 H new ATOM 0 HB3 ARG A 68 1.659 -7.896 10.080 1.00 0.62 H new ATOM 0 HG2 ARG A 68 1.778 -8.296 7.786 1.00 1.16 H new ATOM 0 HG3 ARG A 68 3.229 -7.336 7.580 1.00 1.16 H new ATOM 0 HD2 ARG A 68 4.152 -9.438 7.325 1.00 1.82 H new ATOM 0 HD3 ARG A 68 4.333 -9.269 9.060 1.00 1.82 H new ATOM 0 HE ARG A 68 1.818 -10.427 8.775 1.00 2.14 H new ATOM 0 HH11 ARG A 68 5.116 -11.216 7.753 1.00 3.45 H new ATOM 0 HH12 ARG A 68 4.820 -12.958 7.731 1.00 3.45 H new ATOM 0 HH21 ARG A 68 1.428 -12.668 8.704 1.00 3.13 H new ATOM 0 HH22 ARG A 68 2.731 -13.780 8.270 1.00 3.13 H new ATOM 1084 N GLU A 69 1.196 -5.000 11.478 1.00 0.53 N ATOM 1085 CA GLU A 69 0.028 -4.583 12.261 1.00 0.63 C ATOM 1086 C GLU A 69 -0.451 -3.202 11.861 1.00 0.58 C ATOM 1087 O GLU A 69 -1.641 -3.018 11.629 1.00 0.60 O ATOM 1088 CB GLU A 69 0.344 -4.529 13.763 1.00 0.83 C ATOM 1089 CG GLU A 69 0.001 -5.839 14.471 1.00 1.02 C ATOM 1090 CD GLU A 69 -0.864 -5.588 15.709 1.00 1.40 C ATOM 1091 OE1 GLU A 69 -1.967 -5.024 15.526 1.00 2.19 O ATOM 1092 OE2 GLU A 69 -0.430 -5.987 16.811 1.00 2.03 O ATOM 0 H GLU A 69 2.078 -4.858 11.971 1.00 0.53 H new ATOM 0 HA GLU A 69 -0.743 -5.327 12.059 1.00 0.63 H new ATOM 0 HB2 GLU A 69 1.402 -4.309 13.902 1.00 0.83 H new ATOM 0 HB3 GLU A 69 -0.215 -3.713 14.221 1.00 0.83 H new ATOM 0 HG2 GLU A 69 -0.526 -6.500 13.783 1.00 1.02 H new ATOM 0 HG3 GLU A 69 0.919 -6.349 14.763 1.00 1.02 H new ATOM 1099 N LEU A 70 0.444 -2.213 11.764 1.00 0.59 N ATOM 1100 CA LEU A 70 0.062 -0.911 11.268 1.00 0.66 C ATOM 1101 C LEU A 70 -0.543 -1.060 9.883 1.00 0.55 C ATOM 1102 O LEU A 70 -1.422 -0.293 9.507 1.00 0.62 O ATOM 1103 CB LEU A 70 1.311 -0.050 11.170 1.00 0.80 C ATOM 1104 CG LEU A 70 1.873 0.395 12.518 1.00 0.78 C ATOM 1105 CD1 LEU A 70 3.395 0.209 12.546 1.00 2.08 C ATOM 1106 CD2 LEU A 70 1.512 1.849 12.790 1.00 1.15 C ATOM 0 H LEU A 70 1.427 -2.300 12.023 1.00 0.59 H new ATOM 0 HA LEU A 70 -0.666 -0.453 11.938 1.00 0.66 H new ATOM 0 HB2 LEU A 70 2.080 -0.606 10.634 1.00 0.80 H new ATOM 0 HB3 LEU A 70 1.083 0.834 10.574 1.00 0.80 H new ATOM 0 HG LEU A 70 1.432 -0.223 13.300 1.00 0.78 H new ATOM 0 HD11 LEU A 70 3.783 0.530 13.513 1.00 2.08 H new ATOM 0 HD12 LEU A 70 3.636 -0.842 12.389 1.00 2.08 H new ATOM 0 HD13 LEU A 70 3.849 0.807 11.756 1.00 2.08 H new ATOM 0 HD21 LEU A 70 1.920 2.151 13.755 1.00 1.15 H new ATOM 0 HD22 LEU A 70 1.930 2.480 12.006 1.00 1.15 H new ATOM 0 HD23 LEU A 70 0.428 1.958 12.805 1.00 1.15 H new ATOM 1118 N SER A 71 -0.132 -2.081 9.125 1.00 0.47 N ATOM 1119 CA SER A 71 -0.798 -2.321 7.860 1.00 0.53 C ATOM 1120 C SER A 71 -2.322 -2.422 7.996 1.00 0.50 C ATOM 1121 O SER A 71 -3.082 -1.970 7.146 1.00 0.59 O ATOM 1122 CB SER A 71 -0.181 -3.516 7.144 1.00 0.61 C ATOM 1123 OG SER A 71 -1.013 -4.645 7.264 1.00 2.05 O ATOM 0 H SER A 71 0.625 -2.724 9.358 1.00 0.47 H new ATOM 0 HA SER A 71 -0.632 -1.446 7.232 1.00 0.53 H new ATOM 0 HB2 SER A 71 -0.030 -3.278 6.091 1.00 0.61 H new ATOM 0 HB3 SER A 71 0.800 -3.733 7.566 1.00 0.61 H new ATOM 0 HG SER A 71 -0.768 -5.148 8.069 1.00 2.05 H new ATOM 1129 N LYS A 72 -2.798 -2.985 9.095 1.00 0.47 N ATOM 1130 CA LYS A 72 -4.216 -3.162 9.337 1.00 0.53 C ATOM 1131 C LYS A 72 -4.943 -1.821 9.419 1.00 0.53 C ATOM 1132 O LYS A 72 -6.119 -1.741 9.080 1.00 0.69 O ATOM 1133 CB LYS A 72 -4.371 -3.954 10.638 1.00 0.62 C ATOM 1134 CG LYS A 72 -5.620 -4.835 10.608 1.00 0.81 C ATOM 1135 CD LYS A 72 -6.584 -4.442 11.722 1.00 2.32 C ATOM 1136 CE LYS A 72 -7.701 -5.484 11.806 1.00 2.65 C ATOM 1137 NZ LYS A 72 -8.996 -4.862 12.146 1.00 4.23 N ATOM 0 H LYS A 72 -2.205 -3.334 9.848 1.00 0.47 H new ATOM 0 HA LYS A 72 -4.668 -3.706 8.507 1.00 0.53 H new ATOM 0 HB2 LYS A 72 -3.489 -4.575 10.795 1.00 0.62 H new ATOM 0 HB3 LYS A 72 -4.430 -3.265 11.481 1.00 0.62 H new ATOM 0 HG2 LYS A 72 -6.115 -4.740 9.642 1.00 0.81 H new ATOM 0 HG3 LYS A 72 -5.336 -5.881 10.719 1.00 0.81 H new ATOM 0 HD2 LYS A 72 -6.055 -4.380 12.673 1.00 2.32 H new ATOM 0 HD3 LYS A 72 -7.004 -3.455 11.526 1.00 2.32 H new ATOM 0 HE2 LYS A 72 -7.786 -6.006 10.853 1.00 2.65 H new ATOM 0 HE3 LYS A 72 -7.447 -6.232 12.557 1.00 2.65 H new ATOM 0 HZ1 LYS A 72 -9.731 -5.596 12.195 1.00 4.23 H new ATOM 0 HZ2 LYS A 72 -8.921 -4.385 13.067 1.00 4.23 H new ATOM 0 HZ3 LYS A 72 -9.249 -4.166 11.416 1.00 4.23 H new ATOM 1151 N THR A 73 -4.248 -0.771 9.856 1.00 0.45 N ATOM 1152 CA THR A 73 -4.774 0.584 9.938 1.00 0.47 C ATOM 1153 C THR A 73 -4.544 1.351 8.631 1.00 0.44 C ATOM 1154 O THR A 73 -4.961 2.499 8.501 1.00 0.57 O ATOM 1155 CB THR A 73 -4.134 1.293 11.143 1.00 0.52 C ATOM 1156 OG1 THR A 73 -2.815 1.692 10.862 1.00 2.47 O ATOM 1157 CG2 THR A 73 -4.083 0.357 12.359 1.00 2.32 C ATOM 0 H THR A 73 -3.280 -0.845 10.170 1.00 0.45 H new ATOM 0 HA THR A 73 -5.854 0.548 10.084 1.00 0.47 H new ATOM 0 HB THR A 73 -4.750 2.167 11.356 1.00 0.52 H new ATOM 0 HG1 THR A 73 -2.350 0.972 10.386 1.00 2.47 H new ATOM 0 HG21 THR A 73 -3.627 0.878 13.200 1.00 2.32 H new ATOM 0 HG22 THR A 73 -5.095 0.052 12.626 1.00 2.32 H new ATOM 0 HG23 THR A 73 -3.491 -0.525 12.115 1.00 2.32 H new ATOM 1165 N PHE A 74 -3.875 0.725 7.660 1.00 0.40 N ATOM 1166 CA PHE A 74 -3.511 1.305 6.376 1.00 0.41 C ATOM 1167 C PHE A 74 -4.329 0.699 5.256 1.00 0.42 C ATOM 1168 O PHE A 74 -4.511 1.331 4.225 1.00 0.45 O ATOM 1169 CB PHE A 74 -2.042 1.001 6.097 1.00 0.48 C ATOM 1170 CG PHE A 74 -1.050 1.684 6.978 1.00 0.49 C ATOM 1171 CD1 PHE A 74 -1.437 2.575 7.991 1.00 1.82 C ATOM 1172 CD2 PHE A 74 0.298 1.401 6.767 1.00 2.04 C ATOM 1173 CE1 PHE A 74 -0.477 3.143 8.831 1.00 1.86 C ATOM 1174 CE2 PHE A 74 1.256 1.996 7.577 1.00 2.06 C ATOM 1175 CZ PHE A 74 0.869 2.829 8.630 1.00 0.67 C ATOM 0 H PHE A 74 -3.561 -0.241 7.756 1.00 0.40 H new ATOM 0 HA PHE A 74 -3.696 2.378 6.420 1.00 0.41 H new ATOM 0 HB2 PHE A 74 -1.892 -0.075 6.182 1.00 0.48 H new ATOM 0 HB3 PHE A 74 -1.826 1.272 5.063 1.00 0.48 H new ATOM 0 HD1 PHE A 74 -2.480 2.822 8.121 1.00 1.82 H new ATOM 0 HD2 PHE A 74 0.595 0.724 5.980 1.00 2.04 H new ATOM 0 HE1 PHE A 74 -0.771 3.815 9.624 1.00 1.86 H new ATOM 0 HE2 PHE A 74 2.304 1.814 7.392 1.00 2.06 H new ATOM 0 HZ PHE A 74 1.618 3.234 9.295 1.00 0.67 H new ATOM 1185 N ILE A 75 -4.792 -0.536 5.413 1.00 0.46 N ATOM 1186 CA ILE A 75 -5.651 -1.174 4.449 1.00 0.46 C ATOM 1187 C ILE A 75 -6.898 -0.313 4.329 1.00 0.46 C ATOM 1188 O ILE A 75 -7.606 -0.061 5.303 1.00 0.55 O ATOM 1189 CB ILE A 75 -5.895 -2.640 4.859 1.00 0.53 C ATOM 1190 CG1 ILE A 75 -5.403 -3.576 3.751 1.00 0.79 C ATOM 1191 CG2 ILE A 75 -7.354 -2.969 5.189 1.00 0.68 C ATOM 1192 CD1 ILE A 75 -5.001 -4.927 4.347 1.00 1.08 C ATOM 0 H ILE A 75 -4.575 -1.118 6.222 1.00 0.46 H new ATOM 0 HA ILE A 75 -5.208 -1.242 3.456 1.00 0.46 H new ATOM 0 HB ILE A 75 -5.332 -2.789 5.780 1.00 0.53 H new ATOM 0 HG12 ILE A 75 -6.187 -3.716 3.007 1.00 0.79 H new ATOM 0 HG13 ILE A 75 -4.552 -3.129 3.237 1.00 0.79 H new ATOM 0 HG21 ILE A 75 -7.436 -4.020 5.467 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -7.689 -2.347 6.019 1.00 0.68 H new ATOM 0 HG23 ILE A 75 -7.977 -2.775 4.316 1.00 0.68 H new ATOM 0 HD11 ILE A 75 -4.652 -5.586 3.552 1.00 1.08 H new ATOM 0 HD12 ILE A 75 -4.202 -4.781 5.074 1.00 1.08 H new ATOM 0 HD13 ILE A 75 -5.862 -5.378 4.841 1.00 1.08 H new ATOM 1204 N ILE A 76 -7.154 0.156 3.120 1.00 0.43 N ATOM 1205 CA ILE A 76 -8.347 0.904 2.797 1.00 0.44 C ATOM 1206 C ILE A 76 -9.225 0.082 1.866 1.00 0.51 C ATOM 1207 O ILE A 76 -10.137 0.632 1.264 1.00 0.72 O ATOM 1208 CB ILE A 76 -7.965 2.275 2.227 1.00 0.41 C ATOM 1209 CG1 ILE A 76 -7.216 2.146 0.890 1.00 0.38 C ATOM 1210 CG2 ILE A 76 -7.097 3.023 3.238 1.00 0.52 C ATOM 1211 CD1 ILE A 76 -8.149 2.390 -0.275 1.00 0.61 C ATOM 0 H ILE A 76 -6.527 0.024 2.327 1.00 0.43 H new ATOM 0 HA ILE A 76 -8.934 1.098 3.694 1.00 0.44 H new ATOM 0 HB ILE A 76 -8.883 2.832 2.040 1.00 0.41 H new ATOM 0 HG12 ILE A 76 -6.393 2.861 0.859 1.00 0.38 H new ATOM 0 HG13 ILE A 76 -6.778 1.151 0.808 1.00 0.38 H new ATOM 0 HG21 ILE A 76 -6.825 3.998 2.833 1.00 0.52 H new ATOM 0 HG22 ILE A 76 -7.653 3.158 4.166 1.00 0.52 H new ATOM 0 HG23 ILE A 76 -6.193 2.448 3.437 1.00 0.52 H new ATOM 0 HD11 ILE A 76 -7.597 2.293 -1.210 1.00 0.61 H new ATOM 0 HD12 ILE A 76 -8.957 1.659 -0.254 1.00 0.61 H new ATOM 0 HD13 ILE A 76 -8.567 3.394 -0.202 1.00 0.61 H new ATOM 1223 N GLY A 77 -8.962 -1.218 1.716 1.00 0.50 N ATOM 1224 CA GLY A 77 -9.758 -2.078 0.867 1.00 0.57 C ATOM 1225 C GLY A 77 -8.924 -3.253 0.410 1.00 0.50 C ATOM 1226 O GLY A 77 -7.916 -3.604 1.022 1.00 0.51 O ATOM 0 H GLY A 77 -8.190 -1.694 2.183 1.00 0.50 H new ATOM 0 HA2 GLY A 77 -10.635 -2.431 1.410 1.00 0.57 H new ATOM 0 HA3 GLY A 77 -10.121 -1.519 0.004 1.00 0.57 H new ATOM 1230 N GLU A 78 -9.330 -3.859 -0.697 1.00 0.57 N ATOM 1231 CA GLU A 78 -8.589 -4.943 -1.292 1.00 0.60 C ATOM 1232 C GLU A 78 -8.875 -4.948 -2.784 1.00 0.60 C ATOM 1233 O GLU A 78 -9.910 -4.430 -3.211 1.00 0.70 O ATOM 1234 CB GLU A 78 -8.957 -6.251 -0.579 1.00 0.74 C ATOM 1235 CG GLU A 78 -10.444 -6.599 -0.709 1.00 1.65 C ATOM 1236 CD GLU A 78 -11.053 -6.959 0.644 1.00 2.19 C ATOM 1237 OE1 GLU A 78 -10.777 -8.081 1.125 1.00 2.33 O ATOM 1238 OE2 GLU A 78 -11.783 -6.098 1.183 1.00 3.63 O ATOM 0 H GLU A 78 -10.181 -3.608 -1.201 1.00 0.57 H new ATOM 0 HA GLU A 78 -7.512 -4.824 -1.172 1.00 0.60 H new ATOM 0 HB2 GLU A 78 -8.360 -7.065 -0.991 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -8.698 -6.169 0.477 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -10.981 -5.753 -1.138 1.00 1.65 H new ATOM 0 HG3 GLU A 78 -10.565 -7.435 -1.398 1.00 1.65 H new ATOM 1245 N LEU A 79 -7.936 -5.475 -3.571 1.00 0.71 N ATOM 1246 CA LEU A 79 -8.103 -5.619 -5.007 1.00 0.82 C ATOM 1247 C LEU A 79 -9.452 -6.275 -5.276 1.00 0.57 C ATOM 1248 O LEU A 79 -9.860 -7.171 -4.534 1.00 0.68 O ATOM 1249 CB LEU A 79 -6.955 -6.466 -5.583 1.00 1.24 C ATOM 1250 CG LEU A 79 -5.898 -5.597 -6.255 1.00 0.74 C ATOM 1251 CD1 LEU A 79 -5.346 -4.543 -5.300 1.00 1.30 C ATOM 1252 CD2 LEU A 79 -4.751 -6.470 -6.781 1.00 1.81 C ATOM 0 H LEU A 79 -7.038 -5.813 -3.224 1.00 0.71 H new ATOM 0 HA LEU A 79 -8.076 -4.643 -5.491 1.00 0.82 H new ATOM 0 HB2 LEU A 79 -6.495 -7.047 -4.784 1.00 1.24 H new ATOM 0 HB3 LEU A 79 -7.354 -7.178 -6.305 1.00 1.24 H new ATOM 0 HG LEU A 79 -6.376 -5.082 -7.088 1.00 0.74 H new ATOM 0 HD11 LEU A 79 -4.595 -3.943 -5.815 1.00 1.30 H new ATOM 0 HD12 LEU A 79 -6.157 -3.898 -4.962 1.00 1.30 H new ATOM 0 HD13 LEU A 79 -4.891 -5.034 -4.440 1.00 1.30 H new ATOM 0 HD21 LEU A 79 -4.002 -5.838 -7.259 1.00 1.81 H new ATOM 0 HD22 LEU A 79 -4.294 -7.009 -5.951 1.00 1.81 H new ATOM 0 HD23 LEU A 79 -5.140 -7.184 -7.507 1.00 1.81 H new ATOM 1264 N HIS A 80 -10.139 -5.810 -6.323 1.00 0.47 N ATOM 1265 CA HIS A 80 -11.451 -6.324 -6.689 1.00 0.60 C ATOM 1266 C HIS A 80 -11.470 -7.850 -6.750 1.00 0.91 C ATOM 1267 O HIS A 80 -10.440 -8.478 -6.970 1.00 1.10 O ATOM 1268 CB HIS A 80 -11.876 -5.769 -8.057 1.00 0.66 C ATOM 1269 CG HIS A 80 -12.985 -4.759 -7.985 1.00 0.74 C ATOM 1270 ND1 HIS A 80 -14.065 -4.663 -8.836 1.00 1.21 N ATOM 1271 CD2 HIS A 80 -13.087 -3.749 -7.078 1.00 0.95 C ATOM 1272 CE1 HIS A 80 -14.791 -3.597 -8.447 1.00 1.21 C ATOM 1273 NE2 HIS A 80 -14.226 -3.008 -7.387 1.00 1.03 N ATOM 0 H HIS A 80 -9.798 -5.069 -6.936 1.00 0.47 H new ATOM 0 HA HIS A 80 -12.148 -6.000 -5.916 1.00 0.60 H new ATOM 0 HB2 HIS A 80 -11.011 -5.311 -8.537 1.00 0.66 H new ATOM 0 HB3 HIS A 80 -12.192 -6.597 -8.692 1.00 0.66 H new ATOM 0 HD2 HIS A 80 -12.405 -3.556 -6.263 1.00 0.95 H new ATOM 0 HE1 HIS A 80 -15.701 -3.265 -8.924 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -14.563 -2.178 -6.900 1.00 1.03 H new ATOM 1281 N PRO A 81 -12.660 -8.455 -6.653 1.00 1.27 N ATOM 1282 CA PRO A 81 -12.792 -9.896 -6.607 1.00 1.73 C ATOM 1283 C PRO A 81 -12.461 -10.530 -7.955 1.00 1.73 C ATOM 1284 O PRO A 81 -11.735 -11.523 -8.013 1.00 2.16 O ATOM 1285 CB PRO A 81 -14.235 -10.170 -6.197 1.00 2.20 C ATOM 1286 CG PRO A 81 -15.001 -8.872 -6.477 1.00 2.09 C ATOM 1287 CD PRO A 81 -13.944 -7.784 -6.652 1.00 1.49 C ATOM 0 HA PRO A 81 -12.091 -10.335 -5.897 1.00 1.73 H new ATOM 0 HB2 PRO A 81 -14.652 -11.001 -6.766 1.00 2.20 H new ATOM 0 HB3 PRO A 81 -14.298 -10.442 -5.143 1.00 2.20 H new ATOM 0 HG2 PRO A 81 -15.614 -8.967 -7.373 1.00 2.09 H new ATOM 0 HG3 PRO A 81 -15.674 -8.632 -5.654 1.00 2.09 H new ATOM 0 HD2 PRO A 81 -14.098 -7.240 -7.584 1.00 1.49 H new ATOM 0 HD3 PRO A 81 -14.000 -7.055 -5.844 1.00 1.49 H new ATOM 1295 N ASP A 82 -12.985 -9.946 -9.039 1.00 1.96 N ATOM 1296 CA ASP A 82 -12.730 -10.416 -10.401 1.00 2.08 C ATOM 1297 C ASP A 82 -11.224 -10.484 -10.650 1.00 1.92 C ATOM 1298 O ASP A 82 -10.712 -11.430 -11.247 1.00 2.05 O ATOM 1299 CB ASP A 82 -13.389 -9.461 -11.402 1.00 2.28 C ATOM 1300 CG ASP A 82 -13.481 -10.096 -12.790 1.00 2.77 C ATOM 1301 OD1 ASP A 82 -12.530 -9.935 -13.584 1.00 3.36 O ATOM 1302 OD2 ASP A 82 -14.523 -10.742 -13.036 1.00 3.74 O ATOM 0 H ASP A 82 -13.599 -9.133 -8.994 1.00 1.96 H new ATOM 0 HA ASP A 82 -13.152 -11.413 -10.528 1.00 2.08 H new ATOM 0 HB2 ASP A 82 -14.387 -9.196 -11.053 1.00 2.28 H new ATOM 0 HB3 ASP A 82 -12.815 -8.536 -11.459 1.00 2.28 H new ATOM 1307 N ASP A 83 -10.504 -9.522 -10.069 1.00 1.77 N ATOM 1308 CA ASP A 83 -9.062 -9.408 -10.150 1.00 1.83 C ATOM 1309 C ASP A 83 -8.441 -9.833 -8.819 1.00 2.06 C ATOM 1310 O ASP A 83 -7.547 -9.167 -8.294 1.00 2.72 O ATOM 1311 CB ASP A 83 -8.644 -7.979 -10.515 1.00 1.99 C ATOM 1312 CG ASP A 83 -8.981 -7.608 -11.954 1.00 3.39 C ATOM 1313 OD1 ASP A 83 -8.235 -8.072 -12.847 1.00 4.04 O ATOM 1314 OD2 ASP A 83 -9.929 -6.811 -12.127 1.00 4.41 O ATOM 0 H ASP A 83 -10.931 -8.781 -9.513 1.00 1.77 H new ATOM 0 HA ASP A 83 -8.699 -10.067 -10.939 1.00 1.83 H new ATOM 0 HB2 ASP A 83 -9.137 -7.279 -9.840 1.00 1.99 H new ATOM 0 HB3 ASP A 83 -7.571 -7.870 -10.359 1.00 1.99 H new ATOM 1319 N ARG A 84 -8.895 -10.958 -8.264 1.00 2.00 N ATOM 1320 CA ARG A 84 -8.332 -11.471 -7.017 1.00 2.46 C ATOM 1321 C ARG A 84 -7.771 -12.865 -7.201 1.00 2.72 C ATOM 1322 O ARG A 84 -6.736 -13.194 -6.631 1.00 3.12 O ATOM 1323 CB ARG A 84 -9.403 -11.495 -5.927 1.00 2.79 C ATOM 1324 CG ARG A 84 -8.783 -11.323 -4.539 1.00 3.53 C ATOM 1325 CD ARG A 84 -9.610 -12.061 -3.484 1.00 4.53 C ATOM 1326 NE ARG A 84 -9.032 -13.382 -3.197 1.00 4.89 N ATOM 1327 CZ ARG A 84 -9.326 -14.133 -2.128 1.00 5.95 C ATOM 1328 NH1 ARG A 84 -10.240 -13.717 -1.251 1.00 6.89 N ATOM 1329 NH2 ARG A 84 -8.702 -15.296 -1.937 1.00 6.46 N ATOM 0 H ARG A 84 -9.646 -11.527 -8.656 1.00 2.00 H new ATOM 0 HA ARG A 84 -7.520 -10.807 -6.720 1.00 2.46 H new ATOM 0 HB2 ARG A 84 -10.126 -10.699 -6.106 1.00 2.79 H new ATOM 0 HB3 ARG A 84 -9.949 -12.438 -5.970 1.00 2.79 H new ATOM 0 HG2 ARG A 84 -7.762 -11.705 -4.541 1.00 3.53 H new ATOM 0 HG3 ARG A 84 -8.727 -10.264 -4.289 1.00 3.53 H new ATOM 0 HD2 ARG A 84 -9.651 -11.470 -2.569 1.00 4.53 H new ATOM 0 HD3 ARG A 84 -10.636 -12.176 -3.835 1.00 4.53 H new ATOM 0 HE ARG A 84 -8.355 -13.755 -3.863 1.00 4.89 H new ATOM 0 HH11 ARG A 84 -10.716 -12.826 -1.394 1.00 6.89 H new ATOM 0 HH12 ARG A 84 -10.463 -14.290 -0.437 1.00 6.89 H new ATOM 0 HH21 ARG A 84 -8.000 -15.614 -2.605 1.00 6.46 H new ATOM 0 HH22 ARG A 84 -8.926 -15.867 -1.122 1.00 6.46 H new ATOM 1343 N SER A 85 -8.460 -13.698 -7.981 1.00 2.80 N ATOM 1344 CA SER A 85 -8.049 -15.074 -8.195 1.00 3.33 C ATOM 1345 C SER A 85 -8.198 -15.417 -9.672 1.00 3.38 C ATOM 1346 O SER A 85 -8.847 -16.396 -10.031 1.00 3.75 O ATOM 1347 CB SER A 85 -8.835 -16.012 -7.265 1.00 3.98 C ATOM 1348 OG SER A 85 -7.961 -16.939 -6.650 1.00 4.84 O ATOM 0 H SER A 85 -9.312 -13.435 -8.476 1.00 2.80 H new ATOM 0 HA SER A 85 -6.998 -15.206 -7.939 1.00 3.33 H new ATOM 0 HB2 SER A 85 -9.353 -15.430 -6.503 1.00 3.98 H new ATOM 0 HB3 SER A 85 -9.598 -16.543 -7.834 1.00 3.98 H new ATOM 0 HG SER A 85 -8.473 -17.529 -6.059 1.00 4.84 H new ATOM 1354 N LYS A 86 -7.610 -14.595 -10.545 1.00 3.54 N ATOM 1355 CA LYS A 86 -7.682 -14.840 -11.982 1.00 4.41 C ATOM 1356 C LYS A 86 -6.630 -14.016 -12.718 1.00 5.21 C ATOM 1357 O LYS A 86 -6.918 -13.335 -13.704 1.00 5.80 O ATOM 1358 CB LYS A 86 -9.114 -14.574 -12.480 1.00 4.64 C ATOM 1359 CG LYS A 86 -9.512 -15.595 -13.560 1.00 5.35 C ATOM 1360 CD LYS A 86 -8.999 -15.222 -14.952 1.00 6.51 C ATOM 1361 CE LYS A 86 -9.761 -13.985 -15.442 1.00 6.88 C ATOM 1362 NZ LYS A 86 -8.857 -12.955 -15.993 1.00 8.00 N ATOM 0 H LYS A 86 -7.084 -13.762 -10.282 1.00 3.54 H new ATOM 0 HA LYS A 86 -7.455 -15.885 -12.194 1.00 4.41 H new ATOM 0 HB2 LYS A 86 -9.811 -14.631 -11.644 1.00 4.64 H new ATOM 0 HB3 LYS A 86 -9.182 -13.564 -12.884 1.00 4.64 H new ATOM 0 HG2 LYS A 86 -9.123 -16.576 -13.286 1.00 5.35 H new ATOM 0 HG3 LYS A 86 -10.598 -15.680 -13.590 1.00 5.35 H new ATOM 0 HD2 LYS A 86 -7.929 -15.018 -14.918 1.00 6.51 H new ATOM 0 HD3 LYS A 86 -9.143 -16.053 -15.643 1.00 6.51 H new ATOM 0 HE2 LYS A 86 -10.479 -14.282 -16.206 1.00 6.88 H new ATOM 0 HE3 LYS A 86 -10.332 -13.561 -14.616 1.00 6.88 H new ATOM 0 HZ1 LYS A 86 -9.358 -12.045 -16.043 1.00 8.00 H new ATOM 0 HZ2 LYS A 86 -8.024 -12.859 -15.377 1.00 8.00 H new ATOM 0 HZ3 LYS A 86 -8.552 -13.235 -16.947 1.00 8.00 H new ATOM 1376 N LEU A 87 -5.399 -14.052 -12.208 1.00 5.71 N ATOM 1377 CA LEU A 87 -4.294 -13.282 -12.755 1.00 6.73 C ATOM 1378 C LEU A 87 -2.980 -13.834 -12.217 1.00 7.99 C ATOM 1379 O LEU A 87 -2.214 -13.145 -11.554 1.00 8.50 O ATOM 1380 CB LEU A 87 -4.480 -11.784 -12.474 1.00 6.23 C ATOM 1381 CG LEU A 87 -4.853 -11.431 -11.020 1.00 5.64 C ATOM 1382 CD1 LEU A 87 -3.666 -10.939 -10.182 1.00 5.45 C ATOM 1383 CD2 LEU A 87 -5.943 -10.369 -11.060 1.00 5.82 C ATOM 0 H LEU A 87 -5.144 -14.620 -11.400 1.00 5.71 H new ATOM 0 HA LEU A 87 -4.272 -13.381 -13.840 1.00 6.73 H new ATOM 0 HB2 LEU A 87 -3.557 -11.265 -12.732 1.00 6.23 H new ATOM 0 HB3 LEU A 87 -5.257 -11.400 -13.135 1.00 6.23 H new ATOM 0 HG LEU A 87 -5.199 -12.342 -10.532 1.00 5.64 H new ATOM 0 HD11 LEU A 87 -4.004 -10.710 -9.171 1.00 5.45 H new ATOM 0 HD12 LEU A 87 -2.902 -11.716 -10.142 1.00 5.45 H new ATOM 0 HD13 LEU A 87 -3.247 -10.041 -10.637 1.00 5.45 H new ATOM 0 HD21 LEU A 87 -6.227 -10.100 -10.042 1.00 5.82 H new ATOM 0 HD22 LEU A 87 -5.571 -9.485 -11.579 1.00 5.82 H new ATOM 0 HD23 LEU A 87 -6.813 -10.760 -11.588 1.00 5.82 H new ATOM 1395 N SER A 88 -2.729 -15.113 -12.476 1.00 8.99 N ATOM 1396 CA SER A 88 -1.487 -15.746 -12.078 1.00 10.47 C ATOM 1397 C SER A 88 -1.330 -17.006 -12.909 1.00 11.42 C ATOM 1398 O SER A 88 -2.101 -17.946 -12.745 1.00 11.34 O ATOM 1399 CB SER A 88 -1.517 -16.058 -10.580 1.00 10.83 C ATOM 1400 OG SER A 88 -0.394 -16.845 -10.238 1.00 12.19 O ATOM 0 H SER A 88 -3.377 -15.731 -12.964 1.00 8.99 H new ATOM 0 HA SER A 88 -0.636 -15.088 -12.251 1.00 10.47 H new ATOM 0 HB2 SER A 88 -1.514 -15.132 -10.005 1.00 10.83 H new ATOM 0 HB3 SER A 88 -2.436 -16.587 -10.327 1.00 10.83 H new ATOM 0 HG SER A 88 -0.413 -17.043 -9.278 1.00 12.19 H new ATOM 1406 N LYS A 89 -0.354 -17.004 -13.822 1.00 12.55 N ATOM 1407 CA LYS A 89 -0.041 -18.142 -14.675 1.00 13.77 C ATOM 1408 C LYS A 89 -1.213 -18.442 -15.615 1.00 13.82 C ATOM 1409 O LYS A 89 -2.033 -19.320 -15.360 1.00 14.20 O ATOM 1410 CB LYS A 89 0.410 -19.331 -13.803 1.00 14.99 C ATOM 1411 CG LYS A 89 1.707 -19.931 -14.348 1.00 16.58 C ATOM 1412 CD LYS A 89 1.447 -20.817 -15.570 1.00 17.25 C ATOM 1413 CE LYS A 89 2.460 -20.524 -16.678 1.00 18.41 C ATOM 1414 NZ LYS A 89 2.649 -21.697 -17.555 1.00 19.49 N ATOM 0 H LYS A 89 0.247 -16.197 -13.988 1.00 12.55 H new ATOM 0 HA LYS A 89 0.799 -17.915 -15.332 1.00 13.77 H new ATOM 0 HB2 LYS A 89 0.559 -19.000 -12.775 1.00 14.99 H new ATOM 0 HB3 LYS A 89 -0.370 -20.092 -13.783 1.00 14.99 H new ATOM 0 HG2 LYS A 89 2.394 -19.129 -14.618 1.00 16.58 H new ATOM 0 HG3 LYS A 89 2.193 -20.518 -13.569 1.00 16.58 H new ATOM 0 HD2 LYS A 89 1.508 -21.867 -15.283 1.00 17.25 H new ATOM 0 HD3 LYS A 89 0.436 -20.646 -15.940 1.00 17.25 H new ATOM 0 HE2 LYS A 89 2.119 -19.675 -17.271 1.00 18.41 H new ATOM 0 HE3 LYS A 89 3.415 -20.240 -16.235 1.00 18.41 H new ATOM 0 HZ1 LYS A 89 3.341 -21.468 -18.297 1.00 19.49 H new ATOM 0 HZ2 LYS A 89 2.997 -22.499 -16.992 1.00 19.49 H new ATOM 0 HZ3 LYS A 89 1.742 -21.951 -17.995 1.00 19.49 H new ATOM 1428 N PRO A 90 -1.315 -17.690 -16.717 1.00 13.78 N ATOM 1429 CA PRO A 90 -2.387 -17.884 -17.666 1.00 14.08 C ATOM 1430 C PRO A 90 -2.195 -19.208 -18.400 1.00 15.42 C ATOM 1431 O PRO A 90 -1.078 -19.718 -18.508 1.00 16.29 O ATOM 1432 CB PRO A 90 -2.335 -16.678 -18.605 1.00 13.99 C ATOM 1433 CG PRO A 90 -0.935 -16.077 -18.438 1.00 14.21 C ATOM 1434 CD PRO A 90 -0.352 -16.708 -17.173 1.00 13.94 C ATOM 0 HA PRO A 90 -3.366 -17.944 -17.190 1.00 14.08 H new ATOM 0 HB2 PRO A 90 -2.510 -16.979 -19.638 1.00 13.99 H new ATOM 0 HB3 PRO A 90 -3.106 -15.951 -18.350 1.00 13.99 H new ATOM 0 HG2 PRO A 90 -0.311 -16.294 -19.305 1.00 14.21 H new ATOM 0 HG3 PRO A 90 -0.985 -14.992 -18.345 1.00 14.21 H new ATOM 0 HD2 PRO A 90 0.610 -17.177 -17.382 1.00 13.94 H new ATOM 0 HD3 PRO A 90 -0.178 -15.952 -16.408 1.00 13.94 H new ATOM 1442 N MET A 91 -3.299 -19.743 -18.923 1.00 15.83 N ATOM 1443 CA MET A 91 -3.296 -21.002 -19.648 1.00 17.27 C ATOM 1444 C MET A 91 -4.158 -20.866 -20.887 1.00 17.52 C ATOM 1445 O MET A 91 -3.648 -21.020 -21.990 1.00 17.94 O ATOM 1446 CB MET A 91 -3.785 -22.121 -18.727 1.00 18.15 C ATOM 1447 CG MET A 91 -3.351 -23.489 -19.246 1.00 19.61 C ATOM 1448 SD MET A 91 -3.273 -24.694 -17.896 1.00 21.48 S ATOM 1449 CE MET A 91 -3.504 -26.230 -18.817 1.00 22.88 C ATOM 0 H MET A 91 -4.220 -19.310 -18.852 1.00 15.83 H new ATOM 0 HA MET A 91 -2.286 -21.257 -19.970 1.00 17.27 H new ATOM 0 HB2 MET A 91 -3.391 -21.968 -17.722 1.00 18.15 H new ATOM 0 HB3 MET A 91 -4.872 -22.085 -18.652 1.00 18.15 H new ATOM 0 HG2 MET A 91 -4.052 -23.833 -20.007 1.00 19.61 H new ATOM 0 HG3 MET A 91 -2.375 -23.409 -19.725 1.00 19.61 H new ATOM 0 HE1 MET A 91 -3.481 -27.074 -18.128 1.00 22.88 H new ATOM 0 HE2 MET A 91 -4.466 -26.206 -19.330 1.00 22.88 H new ATOM 0 HE3 MET A 91 -2.705 -26.338 -19.550 1.00 22.88 H new ATOM 1459 N GLU A 92 -5.430 -20.504 -20.680 1.00 17.47 N ATOM 1460 CA GLU A 92 -6.436 -20.404 -21.723 1.00 17.88 C ATOM 1461 C GLU A 92 -6.790 -21.803 -22.240 1.00 19.25 C ATOM 1462 O GLU A 92 -5.954 -22.706 -22.267 1.00 19.97 O ATOM 1463 CB GLU A 92 -5.958 -19.442 -22.821 1.00 17.59 C ATOM 1464 CG GLU A 92 -7.134 -18.692 -23.445 1.00 17.31 C ATOM 1465 CD GLU A 92 -6.672 -17.865 -24.646 1.00 17.88 C ATOM 1466 OE1 GLU A 92 -6.030 -16.819 -24.401 1.00 17.89 O ATOM 1467 OE2 GLU A 92 -6.979 -18.278 -25.784 1.00 18.53 O ATOM 0 H GLU A 92 -5.789 -20.268 -19.755 1.00 17.47 H new ATOM 0 HA GLU A 92 -7.358 -19.980 -21.325 1.00 17.88 H new ATOM 0 HB2 GLU A 92 -5.249 -18.728 -22.400 1.00 17.59 H new ATOM 0 HB3 GLU A 92 -5.428 -20.000 -23.593 1.00 17.59 H new ATOM 0 HG2 GLU A 92 -7.899 -19.402 -23.759 1.00 17.31 H new ATOM 0 HG3 GLU A 92 -7.591 -18.039 -22.702 1.00 17.31 H new ATOM 1474 N THR A 93 -8.062 -22.021 -22.577 1.00 19.81 N ATOM 1475 CA THR A 93 -8.468 -23.293 -23.151 1.00 21.24 C ATOM 1476 C THR A 93 -7.694 -23.573 -24.446 1.00 22.25 C ATOM 1477 O THR A 93 -7.074 -22.681 -25.025 1.00 21.91 O ATOM 1478 CB THR A 93 -9.988 -23.312 -23.358 1.00 21.43 C ATOM 1479 OG1 THR A 93 -10.394 -24.640 -23.612 1.00 22.37 O ATOM 1480 CG2 THR A 93 -10.442 -22.370 -24.478 1.00 21.42 C ATOM 0 H THR A 93 -8.814 -21.342 -22.463 1.00 19.81 H new ATOM 0 HA THR A 93 -8.223 -24.099 -22.459 1.00 21.24 H new ATOM 0 HB THR A 93 -10.465 -22.945 -22.449 1.00 21.43 H new ATOM 0 HG1 THR A 93 -11.365 -24.666 -23.744 1.00 22.37 H new ATOM 0 HG21 THR A 93 -11.526 -22.423 -24.581 1.00 21.42 H new ATOM 0 HG22 THR A 93 -10.150 -21.348 -24.235 1.00 21.42 H new ATOM 0 HG23 THR A 93 -9.973 -22.667 -25.416 1.00 21.42 H new ATOM 1488 N LEU A 94 -7.729 -24.829 -24.885 1.00 23.67 N ATOM 1489 CA LEU A 94 -7.129 -25.237 -26.147 1.00 24.88 C ATOM 1490 C LEU A 94 -7.964 -24.691 -27.316 1.00 24.73 C ATOM 1491 O LEU A 94 -7.456 -24.743 -28.456 1.00 25.34 O ATOM 1492 CB LEU A 94 -6.973 -26.771 -26.130 1.00 26.53 C ATOM 1493 CG LEU A 94 -6.718 -27.399 -27.508 1.00 27.79 C ATOM 1494 CD1 LEU A 94 -5.377 -26.938 -28.090 1.00 28.40 C ATOM 1495 CD2 LEU A 94 -6.720 -28.926 -27.388 1.00 29.08 C ATOM 1496 OXT LEU A 94 -9.104 -24.248 -27.064 1.00 24.20 O ATOM 0 H LEU A 94 -8.175 -25.591 -24.374 1.00 23.67 H new ATOM 0 HA LEU A 94 -6.132 -24.818 -26.284 1.00 24.88 H new ATOM 0 HB2 LEU A 94 -6.148 -27.033 -25.467 1.00 26.53 H new ATOM 0 HB3 LEU A 94 -7.875 -27.211 -25.705 1.00 26.53 H new ATOM 0 HG LEU A 94 -7.514 -27.076 -28.179 1.00 27.79 H new ATOM 0 HD11 LEU A 94 -5.226 -27.400 -29.066 1.00 28.40 H new ATOM 0 HD12 LEU A 94 -5.381 -25.853 -28.199 1.00 28.40 H new ATOM 0 HD13 LEU A 94 -4.569 -27.232 -27.420 1.00 28.40 H new ATOM 0 HD21 LEU A 94 -6.539 -29.368 -28.368 1.00 29.08 H new ATOM 0 HD22 LEU A 94 -5.936 -29.238 -26.698 1.00 29.08 H new ATOM 0 HD23 LEU A 94 -7.687 -29.260 -27.012 1.00 29.08 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.274 -0.437 6.114 1.00 0.36 FE HETATM 1510 CHA HEM A 95 10.980 -0.738 8.180 1.00 0.59 C HETATM 1511 CHB HEM A 95 6.138 -0.304 8.790 1.00 0.31 C HETATM 1512 CHC HEM A 95 5.613 -0.420 3.915 1.00 0.42 C HETATM 1513 CHD HEM A 95 10.439 -0.211 3.340 1.00 0.41 C HETATM 1514 NA HEM A 95 8.513 -0.517 8.120 1.00 0.40 N HETATM 1515 C1A HEM A 95 9.707 -0.694 8.741 1.00 0.51 C HETATM 1516 C2A HEM A 95 9.446 -0.826 10.153 1.00 0.55 C HETATM 1517 C3A HEM A 95 8.104 -0.566 10.346 1.00 0.44 C HETATM 1518 C4A HEM A 95 7.510 -0.419 9.033 1.00 0.36 C HETATM 1519 CMA HEM A 95 7.337 -0.649 11.652 1.00 0.52 C HETATM 1520 CAA HEM A 95 10.491 -1.124 11.206 1.00 0.64 C HETATM 1521 CBA HEM A 95 11.302 0.121 11.571 1.00 1.96 C HETATM 1522 CGA HEM A 95 12.286 -0.088 12.713 1.00 2.66 C HETATM 1523 O1A HEM A 95 13.388 0.494 12.623 1.00 3.62 O HETATM 1524 O2A HEM A 95 11.903 -0.787 13.675 1.00 3.16 O HETATM 1525 NB HEM A 95 6.257 -0.381 6.309 1.00 0.31 N HETATM 1526 C1B HEM A 95 5.596 -0.343 7.502 1.00 0.30 C HETATM 1527 C2B HEM A 95 4.183 -0.361 7.216 1.00 0.32 C HETATM 1528 C3B HEM A 95 4.051 -0.390 5.848 1.00 0.39 C HETATM 1529 C4B HEM A 95 5.368 -0.376 5.274 1.00 0.37 C HETATM 1530 CMB HEM A 95 3.116 -0.358 8.262 1.00 0.34 C HETATM 1531 CAB HEM A 95 2.819 -0.738 5.027 1.00 0.39 C HETATM 1532 CBB HEM A 95 1.767 -1.431 5.489 1.00 0.76 C HETATM 1533 NC HEM A 95 8.063 -0.342 4.013 1.00 0.35 N HETATM 1534 C1C HEM A 95 6.871 -0.398 3.368 1.00 0.38 C HETATM 1535 C2C HEM A 95 7.111 -0.457 1.950 1.00 0.42 C HETATM 1536 C3C HEM A 95 8.465 -0.308 1.790 1.00 0.41 C HETATM 1537 C4C HEM A 95 9.077 -0.278 3.098 1.00 0.38 C HETATM 1538 CMC HEM A 95 6.062 -0.686 0.895 1.00 0.53 C HETATM 1539 CAC HEM A 95 9.223 -0.232 0.476 1.00 0.47 C HETATM 1540 CBC HEM A 95 8.657 0.074 -0.714 1.00 0.57 C HETATM 1541 ND HEM A 95 10.339 -0.442 5.814 1.00 0.43 N HETATM 1542 C1D HEM A 95 10.987 -0.300 4.617 1.00 0.43 C HETATM 1543 C2D HEM A 95 12.400 -0.232 4.893 1.00 0.51 C HETATM 1544 C3D HEM A 95 12.552 -0.376 6.255 1.00 0.57 C HETATM 1545 C4D HEM A 95 11.237 -0.547 6.824 1.00 0.52 C HETATM 1546 CMD HEM A 95 13.493 0.022 3.879 1.00 0.56 C HETATM 1547 CAD HEM A 95 13.839 -0.227 7.028 1.00 0.66 C HETATM 1548 CBD HEM A 95 14.702 -1.488 7.025 1.00 1.69 C HETATM 1549 CGD HEM A 95 16.093 -1.188 7.569 1.00 1.95 C HETATM 1550 O1D HEM A 95 17.034 -1.180 6.745 1.00 2.79 O HETATM 1551 O2D HEM A 95 16.189 -0.954 8.793 1.00 2.89 O HETATM 0 HMA1 HEM A 95 7.896 -1.256 12.364 1.00 0.52 H new HETATM 0 HMA2 HEM A 95 6.363 -1.104 11.473 1.00 0.52 H new HETATM 0 HMA3 HEM A 95 7.201 0.353 12.058 1.00 0.52 H new HETATM 0 HMB1 HEM A 95 3.484 -0.856 9.159 1.00 0.34 H new HETATM 0 HMB2 HEM A 95 2.239 -0.886 7.888 1.00 0.34 H new HETATM 0 HMB3 HEM A 95 2.846 0.670 8.503 1.00 0.34 H new HETATM 0 HMC1 HEM A 95 6.356 -0.183 -0.026 1.00 0.53 H new HETATM 0 HMC2 HEM A 95 5.108 -0.286 1.238 1.00 0.53 H new HETATM 0 HMC3 HEM A 95 5.961 -1.755 0.708 1.00 0.53 H new HETATM 0 HMD1 HEM A 95 13.185 -0.365 2.908 1.00 0.56 H new HETATM 0 HMD2 HEM A 95 14.407 -0.479 4.196 1.00 0.56 H new HETATM 0 HMD3 HEM A 95 13.675 1.094 3.801 1.00 0.56 H new HETATM 0 HBB1 HEM A 95 0.921 -1.639 4.834 1.00 0.76 H new HETATM 0 HBB2 HEM A 95 1.758 -1.786 6.519 1.00 0.76 H new HETATM 0 HBC1 HEM A 95 9.269 0.109 -1.616 1.00 0.57 H new HETATM 0 HBC2 HEM A 95 7.589 0.286 -0.771 1.00 0.57 H new HETATM 0 HBA1 HEM A 95 10.614 0.923 11.841 1.00 1.96 H new HETATM 0 HBA2 HEM A 95 11.851 0.455 10.690 1.00 1.96 H new HETATM 0 HAA1 HEM A 95 11.163 -1.901 10.842 1.00 0.64 H new HETATM 0 HAA2 HEM A 95 10.005 -1.516 12.099 1.00 0.64 H new HETATM 0 HBD1 HEM A 95 14.779 -1.880 6.011 1.00 1.69 H new HETATM 0 HBD2 HEM A 95 14.228 -2.261 7.630 1.00 1.69 H new HETATM 0 HAD1 HEM A 95 13.606 0.041 8.058 1.00 0.66 H new HETATM 0 HAD2 HEM A 95 14.413 0.598 6.606 1.00 0.66 H new HETATM 0 HHA HEM A 95 11.817 -0.931 8.834 1.00 0.59 H new HETATM 0 HHB HEM A 95 5.471 -0.180 9.630 1.00 0.31 H new HETATM 0 HHC HEM A 95 4.767 -0.475 3.246 1.00 0.42 H new HETATM 0 HHD HEM A 95 11.106 -0.084 2.500 1.00 0.41 H new HETATM 0 HAB HEM A 95 2.788 -0.401 3.991 1.00 0.39 H new HETATM 0 HAC HEM A 95 10.293 -0.438 0.493 1.00 0.47 H new