USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 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 54 THR OG1 : rot 72:sc= 0.157 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.00213 K(o=0.16,f=-1.3!) USER MOD Set 2.1: A 77 THR OG1 : rot -119:sc= 1.15 USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -3.9! (180deg=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.129 (180deg=-0.29) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0445 X(o=-0.045,f=-0.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -123:sc= 0 (180deg=-0.521) USER MOD Single : A 14 SER OG : rot 46:sc= 0.00203 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.12 F(o=-0.75,f=-0.12) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -21:sc= 0.377 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -174:sc= 1.14 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.19 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00687) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.78! C(o=-3.7!,f=-2.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -13.8! C(o=-14!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.41! C(o=-5.4!,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot -176:sc= 0.631 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.345 F(o=-1.2,f=-0.34) USER MOD Single : A 86 ASN : amide:sc= -3.65! C(o=-3.7!,f=-6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -117:sc= 0.61 (180deg=-1.91!) USER MOD Single : A 91 THR OG1 : rot -32:sc= -0.0299 USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= 0.0704 (180deg=0) USER MOD Single : A 97 SER OG : rot 35:sc= 0.0922 USER MOD Single : A 104 SER OG : rot -122:sc= 0.0954 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.053) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0777 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0693 USER MOD Single : B 1 DT C7 :methyl -30:sc= -0.0284 (180deg=-0.584) USER MOD Single : B 1 DT O5' : rot 12:sc= 0.571 USER MOD Single : B 2 DT C7 :methyl -30:sc= -5.38! (180deg=-11.2!) USER MOD Single : B 3 DT C7 :methyl -30:sc= -11.5! (180deg=-21.1!) USER MOD Single : B 5 DT C7 :methyl -30:sc= -12.2! (180deg=-12.5!) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT B 1 -11.834 7.733 7.621 1.00 5.66 O ATOM 2 C5' DT B 1 -11.905 6.427 8.199 1.00 5.17 C ATOM 3 C4' DT B 1 -13.289 6.147 8.739 1.00 4.80 C ATOM 4 O4' DT B 1 -14.074 7.361 8.697 1.00 5.88 O ATOM 5 C3' DT B 1 -14.096 5.128 7.941 1.00 3.88 C ATOM 6 O3' DT B 1 -13.857 3.804 8.425 1.00 2.98 O ATOM 7 C2' DT B 1 -15.527 5.551 8.212 1.00 4.69 C ATOM 8 C1' DT B 1 -15.416 7.067 8.322 1.00 5.87 C ATOM 9 N1 DT B 1 -15.707 7.787 7.068 1.00 6.57 N ATOM 10 C2 DT B 1 -16.838 8.570 7.021 1.00 7.69 C ATOM 11 O2 DT B 1 -17.600 8.697 7.965 1.00 8.15 O ATOM 12 N3 DT B 1 -17.044 9.204 5.823 1.00 8.42 N ATOM 13 C4 DT B 1 -16.252 9.134 4.695 1.00 8.27 C ATOM 14 O4 DT B 1 -16.568 9.759 3.686 1.00 9.17 O ATOM 15 C5 DT B 1 -15.081 8.296 4.815 1.00 7.17 C ATOM 16 C7 DT B 1 -14.164 8.164 3.641 1.00 7.24 C ATOM 17 C6 DT B 1 -14.865 7.669 5.981 1.00 6.30 C ATOM 0 H5' DT B 1 -11.173 6.341 9.002 1.00 5.17 H new ATOM 0 H5'' DT B 1 -11.645 5.679 7.450 1.00 5.17 H new ATOM 0 H4' DT B 1 -13.117 5.754 9.741 1.00 4.80 H new ATOM 0 H3' DT B 1 -13.844 5.107 6.881 1.00 3.88 H new ATOM 0 H2' DT B 1 -16.197 5.252 7.406 1.00 4.69 H new ATOM 0 H2'' DT B 1 -15.914 5.106 9.129 1.00 4.69 H new ATOM 0 HO5' DT B 1 -12.635 8.243 7.865 1.00 5.66 H new ATOM 0 H1' DT B 1 -16.158 7.398 9.049 1.00 5.87 H new ATOM 0 H3 DT B 1 -17.875 9.793 5.758 1.00 8.42 H new ATOM 0 H71 DT B 1 -14.735 8.275 2.719 1.00 7.24 H new ATOM 0 H72 DT B 1 -13.398 8.938 3.689 1.00 7.24 H new ATOM 0 H73 DT B 1 -13.690 7.183 3.658 1.00 7.24 H new ATOM 0 H6 DT B 1 -13.991 7.042 6.074 1.00 6.30 H new ATOM 31 P DT B 2 -13.937 2.564 7.409 1.00 2.13 P ATOM 32 OP1 DT B 2 -13.180 2.923 6.182 1.00 2.54 O ATOM 33 OP2 DT B 2 -15.365 2.171 7.299 1.00 2.81 O ATOM 34 O5' DT B 2 -13.160 1.397 8.161 1.00 1.38 O ATOM 35 C5' DT B 2 -13.267 0.044 7.719 1.00 1.02 C ATOM 36 C4' DT B 2 -12.391 -0.179 6.510 1.00 0.74 C ATOM 37 O4' DT B 2 -11.036 0.203 6.829 1.00 0.60 O ATOM 38 C3' DT B 2 -12.285 -1.626 6.047 1.00 0.78 C ATOM 39 O3' DT B 2 -13.371 -1.945 5.162 1.00 1.06 O ATOM 40 C2' DT B 2 -10.954 -1.633 5.324 1.00 0.67 C ATOM 41 C1' DT B 2 -10.121 -0.631 6.129 1.00 0.52 C ATOM 42 N1 DT B 2 -9.229 -1.284 7.102 1.00 0.50 N ATOM 43 C2 DT B 2 -9.057 -0.770 8.375 1.00 0.56 C ATOM 44 O2 DT B 2 -9.542 0.281 8.762 1.00 0.61 O ATOM 45 N3 DT B 2 -8.279 -1.542 9.193 1.00 0.60 N ATOM 46 C4 DT B 2 -7.679 -2.743 8.885 1.00 0.59 C ATOM 47 O4 DT B 2 -7.042 -3.346 9.746 1.00 0.68 O ATOM 48 C5 DT B 2 -7.877 -3.201 7.535 1.00 0.54 C ATOM 49 C7 DT B 2 -7.409 -4.571 7.164 1.00 0.60 C ATOM 50 C6 DT B 2 -8.611 -2.447 6.713 1.00 0.49 C ATOM 0 H5' DT B 2 -14.304 -0.185 7.473 1.00 1.02 H new ATOM 0 H5'' DT B 2 -12.972 -0.633 8.521 1.00 1.02 H new ATOM 0 H4' DT B 2 -12.860 0.411 5.723 1.00 0.74 H new ATOM 0 H3' DT B 2 -12.339 -2.362 6.850 1.00 0.78 H new ATOM 0 H2' DT B 2 -10.501 -2.624 5.321 1.00 0.67 H new ATOM 0 H2'' DT B 2 -11.058 -1.327 4.283 1.00 0.67 H new ATOM 0 H1' DT B 2 -9.485 -0.072 5.443 1.00 0.52 H new ATOM 0 H3 DT B 2 -8.126 -1.189 10.137 1.00 0.60 H new ATOM 0 H71 DT B 2 -6.545 -4.837 7.772 1.00 0.60 H new ATOM 0 H72 DT B 2 -8.210 -5.289 7.338 1.00 0.60 H new ATOM 0 H73 DT B 2 -7.130 -4.587 6.110 1.00 0.60 H new ATOM 0 H6 DT B 2 -8.725 -2.769 5.688 1.00 0.49 H new ATOM 63 P DT B 3 -13.762 -3.483 4.882 1.00 0.89 P ATOM 64 OP1 DT B 3 -14.200 -4.078 6.170 1.00 1.15 O ATOM 65 OP2 DT B 3 -12.660 -4.121 4.117 1.00 1.24 O ATOM 66 O5' DT B 3 -15.044 -3.392 3.935 1.00 0.73 O ATOM 67 C5' DT B 3 -15.016 -3.897 2.595 1.00 0.77 C ATOM 68 C4' DT B 3 -14.592 -2.810 1.637 1.00 0.53 C ATOM 69 O4' DT B 3 -14.012 -1.736 2.394 1.00 0.47 O ATOM 70 C3' DT B 3 -13.532 -3.208 0.613 1.00 0.58 C ATOM 71 O3' DT B 3 -14.155 -3.468 -0.653 1.00 0.73 O ATOM 72 C2' DT B 3 -12.632 -1.982 0.520 1.00 0.60 C ATOM 73 C1' DT B 3 -13.227 -0.985 1.510 1.00 0.41 C ATOM 74 N1 DT B 3 -12.238 -0.248 2.305 1.00 0.37 N ATOM 75 C2 DT B 3 -12.648 0.859 3.010 1.00 0.49 C ATOM 76 O2 DT B 3 -13.805 1.247 3.034 1.00 0.59 O ATOM 77 N3 DT B 3 -11.651 1.500 3.692 1.00 0.63 N ATOM 78 C4 DT B 3 -10.326 1.139 3.761 1.00 0.70 C ATOM 79 O4 DT B 3 -9.564 1.760 4.497 1.00 0.92 O ATOM 80 C5 DT B 3 -9.973 -0.044 3.009 1.00 0.63 C ATOM 81 C7 DT B 3 -8.581 -0.576 3.100 1.00 0.87 C ATOM 82 C6 DT B 3 -10.932 -0.670 2.326 1.00 0.47 C ATOM 0 H5' DT B 3 -16.002 -4.271 2.319 1.00 0.77 H new ATOM 0 H5'' DT B 3 -14.326 -4.738 2.530 1.00 0.77 H new ATOM 0 H4' DT B 3 -15.500 -2.551 1.092 1.00 0.53 H new ATOM 0 H3' DT B 3 -12.984 -4.108 0.891 1.00 0.58 H new ATOM 0 H2' DT B 3 -11.602 -2.227 0.777 1.00 0.60 H new ATOM 0 H2'' DT B 3 -12.620 -1.576 -0.491 1.00 0.60 H new ATOM 0 H1' DT B 3 -13.776 -0.236 0.939 1.00 0.41 H new ATOM 0 H3 DT B 3 -11.920 2.339 4.206 1.00 0.63 H new ATOM 0 H71 DT B 3 -7.889 0.246 3.285 1.00 0.87 H new ATOM 0 H72 DT B 3 -8.519 -1.294 3.918 1.00 0.87 H new ATOM 0 H73 DT B 3 -8.318 -1.068 2.164 1.00 0.87 H new ATOM 0 H6 DT B 3 -10.668 -1.552 1.762 1.00 0.47 H new ATOM 95 P DT B 4 -13.683 -4.725 -1.538 1.00 0.58 P ATOM 96 OP1 DT B 4 -14.850 -5.621 -1.730 1.00 1.18 O ATOM 97 OP2 DT B 4 -12.435 -5.264 -0.940 1.00 1.05 O ATOM 98 O5' DT B 4 -13.320 -4.083 -2.950 1.00 0.57 O ATOM 99 C5' DT B 4 -14.047 -2.962 -3.454 1.00 0.56 C ATOM 100 C4' DT B 4 -13.182 -1.724 -3.421 1.00 0.43 C ATOM 101 O4' DT B 4 -12.171 -1.900 -2.410 1.00 0.42 O ATOM 102 C3' DT B 4 -12.431 -1.433 -4.721 1.00 0.46 C ATOM 103 O3' DT B 4 -13.033 -0.322 -5.391 1.00 0.68 O ATOM 104 C2' DT B 4 -11.015 -1.081 -4.280 1.00 0.39 C ATOM 105 C1' DT B 4 -11.038 -1.137 -2.760 1.00 0.38 C ATOM 106 N1 DT B 4 -9.859 -1.774 -2.142 1.00 0.37 N ATOM 107 C2 DT B 4 -8.609 -1.291 -2.456 1.00 0.45 C ATOM 108 O2 DT B 4 -8.425 -0.362 -3.225 1.00 0.56 O ATOM 109 N3 DT B 4 -7.572 -1.935 -1.831 1.00 0.48 N ATOM 110 C4 DT B 4 -7.657 -2.988 -0.943 1.00 0.40 C ATOM 111 O4 DT B 4 -6.632 -3.442 -0.428 1.00 0.44 O ATOM 112 C5 DT B 4 -9.000 -3.446 -0.660 1.00 0.39 C ATOM 113 C7 DT B 4 -9.194 -4.578 0.298 1.00 0.49 C ATOM 114 C6 DT B 4 -10.023 -2.828 -1.265 1.00 0.39 C ATOM 0 H5' DT B 4 -14.945 -2.803 -2.857 1.00 0.56 H new ATOM 0 H5'' DT B 4 -14.373 -3.160 -4.475 1.00 0.56 H new ATOM 0 H4' DT B 4 -13.866 -0.896 -3.234 1.00 0.43 H new ATOM 0 H3' DT B 4 -12.448 -2.275 -5.412 1.00 0.46 H new ATOM 0 H2' DT B 4 -10.290 -1.786 -4.688 1.00 0.39 H new ATOM 0 H2'' DT B 4 -10.729 -0.090 -4.632 1.00 0.39 H new ATOM 0 H1' DT B 4 -11.050 -0.110 -2.395 1.00 0.38 H new ATOM 0 H3 DT B 4 -6.634 -1.598 -2.046 1.00 0.48 H new ATOM 0 H71 DT B 4 -10.154 -4.467 0.802 1.00 0.49 H new ATOM 0 H72 DT B 4 -9.177 -5.522 -0.246 1.00 0.49 H new ATOM 0 H73 DT B 4 -8.393 -4.571 1.037 1.00 0.49 H new ATOM 0 H6 DT B 4 -11.026 -3.171 -1.057 1.00 0.39 H new ATOM 127 P DT B 5 -12.475 0.146 -6.824 1.00 0.49 P ATOM 128 OP1 DT B 5 -11.401 1.146 -6.599 1.00 1.05 O ATOM 129 OP2 DT B 5 -13.648 0.506 -7.661 1.00 0.90 O ATOM 130 O5' DT B 5 -11.813 -1.170 -7.432 1.00 0.57 O ATOM 131 C5' DT B 5 -12.534 -1.996 -8.346 1.00 0.54 C ATOM 132 C4' DT B 5 -11.602 -2.546 -9.399 1.00 0.42 C ATOM 133 O4' DT B 5 -10.270 -2.667 -8.843 1.00 0.34 O ATOM 134 C3' DT B 5 -11.968 -3.941 -9.899 1.00 0.45 C ATOM 135 O3' DT B 5 -11.591 -4.100 -11.270 1.00 0.50 O ATOM 136 C2' DT B 5 -11.148 -4.852 -9.004 1.00 0.39 C ATOM 137 C1' DT B 5 -9.891 -4.035 -8.750 1.00 0.32 C ATOM 138 N1 DT B 5 -9.275 -4.244 -7.421 1.00 0.26 N ATOM 139 C2 DT B 5 -7.918 -4.456 -7.362 1.00 0.29 C ATOM 140 O2 DT B 5 -7.206 -4.502 -8.351 1.00 0.36 O ATOM 141 N3 DT B 5 -7.421 -4.609 -6.095 1.00 0.28 N ATOM 142 C4 DT B 5 -8.124 -4.559 -4.912 1.00 0.28 C ATOM 143 O4 DT B 5 -7.528 -4.636 -3.840 1.00 0.34 O ATOM 144 C5 DT B 5 -9.543 -4.353 -5.049 1.00 0.28 C ATOM 145 C7 DT B 5 -10.389 -4.304 -3.817 1.00 0.38 C ATOM 146 C6 DT B 5 -10.048 -4.208 -6.281 1.00 0.26 C ATOM 0 H5' DT B 5 -13.329 -1.420 -8.819 1.00 0.54 H new ATOM 0 H5'' DT B 5 -13.011 -2.815 -7.808 1.00 0.54 H new ATOM 0 H4' DT B 5 -11.671 -1.846 -10.232 1.00 0.42 H new ATOM 0 H3' DT B 5 -13.037 -4.148 -9.857 1.00 0.45 H new ATOM 0 H2' DT B 5 -11.672 -5.086 -8.077 1.00 0.39 H new ATOM 0 H2'' DT B 5 -10.922 -5.801 -9.491 1.00 0.39 H new ATOM 0 H1' DT B 5 -9.146 -4.346 -9.483 1.00 0.32 H new ATOM 0 H3 DT B 5 -6.418 -4.779 -6.019 1.00 0.28 H new ATOM 0 H71 DT B 5 -9.942 -4.929 -3.044 1.00 0.38 H new ATOM 0 H72 DT B 5 -10.453 -3.276 -3.460 1.00 0.38 H new ATOM 0 H73 DT B 5 -11.389 -4.671 -4.048 1.00 0.38 H new ATOM 0 H6 DT B 5 -11.112 -4.056 -6.386 1.00 0.26 H new ATOM 159 P DT B 6 -12.371 -5.163 -12.190 1.00 0.71 P ATOM 160 OP1 DT B 6 -12.522 -4.582 -13.548 1.00 0.80 O ATOM 161 OP2 DT B 6 -13.575 -5.609 -11.444 1.00 1.10 O ATOM 162 O5' DT B 6 -11.369 -6.398 -12.287 1.00 0.88 O ATOM 163 C5' DT B 6 -10.182 -6.314 -13.072 1.00 0.95 C ATOM 164 C4' DT B 6 -9.067 -5.694 -12.263 1.00 0.76 C ATOM 165 O4' DT B 6 -8.579 -6.669 -11.312 1.00 0.52 O ATOM 166 C3' DT B 6 -7.846 -5.268 -13.075 1.00 0.75 C ATOM 167 O3' DT B 6 -7.959 -3.896 -13.461 1.00 1.10 O ATOM 168 C2' DT B 6 -6.707 -5.471 -12.097 1.00 0.71 C ATOM 169 C1' DT B 6 -7.159 -6.697 -11.322 1.00 0.48 C ATOM 170 N1 DT B 6 -6.735 -7.982 -11.909 1.00 0.49 N ATOM 171 C2 DT B 6 -5.434 -8.385 -11.715 1.00 0.74 C ATOM 172 O2 DT B 6 -4.620 -7.729 -11.087 1.00 0.90 O ATOM 173 N3 DT B 6 -5.117 -9.590 -12.287 1.00 0.92 N ATOM 174 C4 DT B 6 -5.952 -10.412 -13.016 1.00 0.95 C ATOM 175 O4 DT B 6 -5.526 -11.472 -13.467 1.00 1.22 O ATOM 176 C5 DT B 6 -7.303 -9.927 -13.181 1.00 0.77 C ATOM 177 C7 DT B 6 -8.281 -10.757 -13.951 1.00 1.00 C ATOM 178 C6 DT B 6 -7.628 -8.751 -12.628 1.00 0.53 C ATOM 0 H5' DT B 6 -10.369 -5.718 -13.965 1.00 0.95 H new ATOM 0 H5'' DT B 6 -9.888 -7.308 -13.408 1.00 0.95 H new ATOM 0 H4' DT B 6 -9.507 -4.805 -11.811 1.00 0.76 H new ATOM 0 H3' DT B 6 -7.716 -5.826 -14.002 1.00 0.75 H new ATOM 0 H2' DT B 6 -5.758 -5.639 -12.607 1.00 0.71 H new ATOM 0 H2'' DT B 6 -6.570 -4.607 -11.447 1.00 0.71 H new ATOM 0 HO3' DT B 6 -7.169 -3.636 -13.979 1.00 1.10 H new ATOM 0 H1' DT B 6 -6.704 -6.648 -10.333 1.00 0.48 H new ATOM 0 H3 DT B 6 -4.158 -9.915 -12.160 1.00 0.92 H new ATOM 0 H71 DT B 6 -9.287 -10.583 -13.568 1.00 1.00 H new ATOM 0 H72 DT B 6 -8.242 -10.482 -15.005 1.00 1.00 H new ATOM 0 H73 DT B 6 -8.028 -11.812 -13.842 1.00 1.00 H new ATOM 0 H6 DT B 6 -8.637 -8.387 -12.751 1.00 0.53 H new TER 192 DT B 6 ATOM 193 N MET A 1 11.117 -2.478 13.964 1.00 0.49 N ATOM 194 CA MET A 1 9.720 -2.985 13.966 1.00 0.49 C ATOM 195 C MET A 1 9.083 -2.837 12.589 1.00 0.45 C ATOM 196 O MET A 1 7.861 -2.908 12.448 1.00 0.44 O ATOM 197 CB MET A 1 8.888 -2.234 15.007 1.00 0.50 C ATOM 198 CG MET A 1 9.304 -2.520 16.439 1.00 0.54 C ATOM 199 SD MET A 1 7.903 -2.904 17.507 1.00 0.57 S ATOM 200 CE MET A 1 8.686 -3.948 18.733 1.00 0.61 C ATOM 0 H1 MET A 1 11.494 -2.495 14.933 1.00 0.49 H new ATOM 0 H2 MET A 1 11.704 -3.081 13.353 1.00 0.49 H new ATOM 0 H3 MET A 1 11.132 -1.502 13.604 1.00 0.49 H new ATOM 0 HA MET A 1 9.745 -4.044 14.222 1.00 0.49 H new ATOM 0 HB2 MET A 1 8.969 -1.163 14.821 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.838 -2.501 14.882 1.00 0.50 H new ATOM 0 HG2 MET A 1 10.004 -3.356 16.450 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.834 -1.655 16.839 1.00 0.54 H new ATOM 0 HE1 MET A 1 7.945 -4.267 19.466 1.00 0.61 H new ATOM 0 HE2 MET A 1 9.114 -4.824 18.245 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.476 -3.390 19.235 1.00 0.61 H new ATOM 212 N GLU A 2 9.916 -2.629 11.575 1.00 0.43 N ATOM 213 CA GLU A 2 9.433 -2.470 10.208 1.00 0.40 C ATOM 214 C GLU A 2 9.992 -3.563 9.303 1.00 0.40 C ATOM 215 O GLU A 2 11.199 -3.801 9.271 1.00 0.42 O ATOM 216 CB GLU A 2 9.821 -1.095 9.661 1.00 0.38 C ATOM 217 CG GLU A 2 11.204 -0.634 10.092 1.00 0.39 C ATOM 218 CD GLU A 2 11.157 0.576 11.002 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.447 1.546 10.667 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.834 0.556 12.052 1.00 0.42 O ATOM 0 H GLU A 2 10.929 -2.567 11.674 1.00 0.43 H new ATOM 0 HA GLU A 2 8.346 -2.554 10.224 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.780 -1.122 8.572 1.00 0.38 H new ATOM 0 HB3 GLU A 2 9.084 -0.362 9.990 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.712 -1.451 10.605 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.796 -0.396 9.208 1.00 0.39 H new ATOM 227 N GLU A 3 9.103 -4.225 8.567 1.00 0.39 N ATOM 228 CA GLU A 3 9.507 -5.293 7.659 1.00 0.40 C ATOM 229 C GLU A 3 9.681 -4.769 6.235 1.00 0.37 C ATOM 230 O GLU A 3 9.334 -3.626 5.937 1.00 0.35 O ATOM 231 CB GLU A 3 8.482 -6.427 7.683 1.00 0.41 C ATOM 232 CG GLU A 3 7.225 -6.138 6.876 1.00 0.38 C ATOM 233 CD GLU A 3 6.016 -6.894 7.391 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.831 -8.063 6.989 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.254 -6.318 8.195 1.00 0.39 O ATOM 0 H GLU A 3 8.100 -4.041 8.582 1.00 0.39 H new ATOM 0 HA GLU A 3 10.469 -5.678 7.999 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.949 -7.334 7.298 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.200 -6.627 8.717 1.00 0.41 H new ATOM 0 HG2 GLU A 3 7.018 -5.068 6.903 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.398 -6.403 5.833 1.00 0.38 H new ATOM 242 N LYS A 4 10.223 -5.613 5.362 1.00 0.39 N ATOM 243 CA LYS A 4 10.448 -5.244 3.969 1.00 0.37 C ATOM 244 C LYS A 4 9.315 -5.749 3.080 1.00 0.36 C ATOM 245 O LYS A 4 8.430 -6.474 3.534 1.00 0.37 O ATOM 246 CB LYS A 4 11.785 -5.809 3.485 1.00 0.41 C ATOM 247 CG LYS A 4 12.102 -7.191 4.028 1.00 0.44 C ATOM 248 CD LYS A 4 12.921 -7.115 5.308 1.00 0.46 C ATOM 249 CE LYS A 4 14.405 -7.299 5.033 1.00 0.49 C ATOM 250 NZ LYS A 4 15.078 -8.075 6.111 1.00 0.52 N ATOM 0 H LYS A 4 10.516 -6.562 5.597 1.00 0.39 H new ATOM 0 HA LYS A 4 10.474 -4.156 3.905 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.778 -5.850 2.396 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.583 -5.125 3.773 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.174 -7.729 4.221 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.650 -7.761 3.278 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.756 -6.151 5.790 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.581 -7.882 6.004 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.537 -7.812 4.080 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.880 -6.323 4.938 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 16.088 -8.178 5.886 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.975 -7.573 7.016 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.642 -9.016 6.185 1.00 0.52 H new ATOM 264 N VAL A 5 9.353 -5.357 1.809 1.00 0.35 N ATOM 265 CA VAL A 5 8.335 -5.766 0.847 1.00 0.34 C ATOM 266 C VAL A 5 8.503 -7.232 0.460 1.00 0.37 C ATOM 267 O VAL A 5 7.522 -7.948 0.264 1.00 0.37 O ATOM 268 CB VAL A 5 8.392 -4.893 -0.425 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.330 -5.323 -1.425 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.229 -3.422 -0.072 1.00 0.29 C ATOM 0 H VAL A 5 10.080 -4.755 1.421 1.00 0.35 H new ATOM 0 HA VAL A 5 7.365 -5.634 1.327 1.00 0.34 H new ATOM 0 HB VAL A 5 9.369 -5.031 -0.887 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.390 -4.693 -2.313 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.495 -6.363 -1.706 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.343 -5.221 -0.974 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.272 -2.823 -0.981 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.267 -3.270 0.418 1.00 0.29 H new ATOM 0 HG23 VAL A 5 9.031 -3.118 0.601 1.00 0.29 H new ATOM 280 N GLY A 6 9.753 -7.673 0.358 1.00 0.41 N ATOM 281 CA GLY A 6 10.027 -9.050 -0.008 1.00 0.44 C ATOM 282 C GLY A 6 9.813 -10.015 1.142 1.00 0.46 C ATOM 283 O GLY A 6 10.072 -11.212 1.012 1.00 0.50 O ATOM 0 H GLY A 6 10.581 -7.101 0.522 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.384 -9.335 -0.841 1.00 0.44 H new ATOM 0 HA3 GLY A 6 11.056 -9.131 -0.358 1.00 0.44 H new ATOM 287 N ASN A 7 9.339 -9.497 2.271 1.00 0.44 N ATOM 288 CA ASN A 7 9.094 -10.322 3.448 1.00 0.47 C ATOM 289 C ASN A 7 7.682 -10.113 3.988 1.00 0.44 C ATOM 290 O ASN A 7 7.292 -10.732 4.979 1.00 0.46 O ATOM 291 CB ASN A 7 10.113 -9.998 4.536 1.00 0.48 C ATOM 292 CG ASN A 7 10.376 -11.172 5.458 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.550 -12.304 5.008 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.407 -10.903 6.759 1.00 0.52 N ATOM 0 H ASN A 7 9.117 -8.509 2.395 1.00 0.44 H new ATOM 0 HA ASN A 7 9.196 -11.366 3.152 1.00 0.47 H new ATOM 0 HB2 ASN A 7 11.049 -9.689 4.071 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.755 -9.153 5.124 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.581 -11.651 7.430 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.257 -9.949 7.086 1.00 0.52 H new ATOM 301 N LEU A 8 6.919 -9.240 3.337 1.00 0.41 N ATOM 302 CA LEU A 8 5.555 -8.957 3.766 1.00 0.39 C ATOM 303 C LEU A 8 4.608 -10.082 3.361 1.00 0.40 C ATOM 304 O LEU A 8 4.884 -10.836 2.426 1.00 0.42 O ATOM 305 CB LEU A 8 5.073 -7.627 3.174 1.00 0.35 C ATOM 306 CG LEU A 8 4.299 -7.740 1.858 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.800 -7.720 2.115 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.689 -6.624 0.910 1.00 0.30 C ATOM 0 H LEU A 8 7.221 -8.719 2.514 1.00 0.41 H new ATOM 0 HA LEU A 8 5.554 -8.883 4.853 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.439 -7.130 3.908 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.939 -6.984 3.013 1.00 0.35 H new ATOM 0 HG LEU A 8 4.556 -8.691 1.392 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.267 -7.801 1.168 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.530 -8.559 2.756 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.527 -6.786 2.605 1.00 0.32 H new ATOM 0 HD21 LEU A 8 4.128 -6.723 -0.019 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.464 -5.661 1.369 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.756 -6.684 0.697 1.00 0.30 H new ATOM 320 N LYS A 9 3.493 -10.183 4.071 1.00 0.40 N ATOM 321 CA LYS A 9 2.491 -11.198 3.787 1.00 0.42 C ATOM 322 C LYS A 9 1.087 -10.609 3.921 1.00 0.40 C ATOM 323 O LYS A 9 0.880 -9.662 4.681 1.00 0.39 O ATOM 324 CB LYS A 9 2.666 -12.397 4.714 1.00 0.46 C ATOM 325 CG LYS A 9 2.188 -12.155 6.136 1.00 0.47 C ATOM 326 CD LYS A 9 1.165 -13.194 6.564 1.00 0.50 C ATOM 327 CE LYS A 9 1.819 -14.333 7.328 1.00 0.54 C ATOM 328 NZ LYS A 9 1.475 -14.302 8.776 1.00 0.56 N ATOM 0 H LYS A 9 3.260 -9.570 4.852 1.00 0.40 H new ATOM 0 HA LYS A 9 2.623 -11.541 2.761 1.00 0.42 H new ATOM 0 HB2 LYS A 9 2.123 -13.246 4.299 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.720 -12.673 4.738 1.00 0.46 H new ATOM 0 HG2 LYS A 9 3.039 -12.179 6.816 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.750 -11.160 6.209 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.406 -12.724 7.189 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.655 -13.589 5.685 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.503 -15.285 6.901 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.901 -14.274 7.211 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.941 -15.095 9.261 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.799 -13.405 9.191 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.445 -14.384 8.890 1.00 0.56 H new ATOM 342 N PRO A 10 0.102 -11.154 3.185 1.00 0.40 N ATOM 343 CA PRO A 10 -1.273 -10.657 3.226 1.00 0.39 C ATOM 344 C PRO A 10 -2.034 -11.121 4.467 1.00 0.41 C ATOM 345 O PRO A 10 -1.582 -12.014 5.183 1.00 0.45 O ATOM 346 CB PRO A 10 -1.895 -11.258 1.969 1.00 0.38 C ATOM 347 CG PRO A 10 -1.150 -12.531 1.751 1.00 0.42 C ATOM 348 CD PRO A 10 0.249 -12.297 2.260 1.00 0.42 C ATOM 0 HA PRO A 10 -1.309 -9.568 3.268 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -2.961 -11.441 2.103 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -1.791 -10.587 1.116 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -1.625 -13.355 2.284 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.139 -12.799 0.694 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.641 -13.177 2.770 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.937 -12.067 1.447 1.00 0.42 H new ATOM 356 N ASN A 11 -3.182 -10.487 4.715 1.00 0.41 N ATOM 357 CA ASN A 11 -4.040 -10.832 5.848 1.00 0.44 C ATOM 358 C ASN A 11 -3.433 -10.386 7.175 1.00 0.45 C ATOM 359 O ASN A 11 -3.684 -10.992 8.217 1.00 0.49 O ATOM 360 CB ASN A 11 -4.326 -12.339 5.877 1.00 0.47 C ATOM 361 CG ASN A 11 -5.674 -12.684 5.275 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.658 -12.864 5.991 1.00 0.50 O ATOM 363 ND2 ASN A 11 -5.726 -12.779 3.950 1.00 0.45 N ATOM 0 H ASN A 11 -3.540 -9.725 4.140 1.00 0.41 H new ATOM 0 HA ASN A 11 -4.980 -10.297 5.714 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.542 -12.865 5.332 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.290 -12.693 6.907 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.606 -13.009 3.489 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -4.885 -12.622 3.394 1.00 0.45 H new ATOM 370 N MET A 12 -2.636 -9.323 7.132 1.00 0.43 N ATOM 371 CA MET A 12 -2.010 -8.791 8.337 1.00 0.44 C ATOM 372 C MET A 12 -2.637 -7.455 8.718 1.00 0.43 C ATOM 373 O MET A 12 -2.679 -6.529 7.909 1.00 0.40 O ATOM 374 CB MET A 12 -0.505 -8.620 8.132 1.00 0.43 C ATOM 375 CG MET A 12 0.231 -9.932 7.924 1.00 0.45 C ATOM 376 SD MET A 12 1.820 -9.977 8.775 1.00 0.47 S ATOM 377 CE MET A 12 2.782 -8.867 7.752 1.00 0.43 C ATOM 0 H MET A 12 -2.409 -8.814 6.278 1.00 0.43 H new ATOM 0 HA MET A 12 -2.174 -9.502 9.147 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.335 -7.976 7.269 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.084 -8.110 8.998 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.391 -10.754 8.279 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.390 -10.090 6.857 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.666 -9.387 7.383 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.178 -8.535 6.908 1.00 0.43 H new ATOM 0 HE3 MET A 12 3.089 -8.003 8.341 1.00 0.43 H new ATOM 387 N GLU A 13 -3.124 -7.363 9.950 1.00 0.47 N ATOM 388 CA GLU A 13 -3.752 -6.138 10.430 1.00 0.47 C ATOM 389 C GLU A 13 -2.703 -5.149 10.927 1.00 0.46 C ATOM 390 O GLU A 13 -3.026 -4.179 11.615 1.00 0.48 O ATOM 391 CB GLU A 13 -4.751 -6.448 11.546 1.00 0.51 C ATOM 392 CG GLU A 13 -5.304 -7.865 11.500 1.00 0.53 C ATOM 393 CD GLU A 13 -6.712 -7.960 12.054 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.517 -7.041 11.792 1.00 0.55 O ATOM 395 OE2 GLU A 13 -7.008 -8.952 12.752 1.00 0.59 O ATOM 0 H GLU A 13 -3.096 -8.120 10.633 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.287 -5.685 9.595 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.266 -6.288 12.509 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.580 -5.743 11.485 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.298 -8.220 10.469 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.649 -8.525 12.068 1.00 0.53 H new ATOM 402 N SER A 14 -1.448 -5.401 10.574 1.00 0.45 N ATOM 403 CA SER A 14 -0.349 -4.534 10.979 1.00 0.44 C ATOM 404 C SER A 14 0.845 -4.715 10.050 1.00 0.41 C ATOM 405 O SER A 14 1.437 -5.793 9.988 1.00 0.42 O ATOM 406 CB SER A 14 0.061 -4.837 12.421 1.00 0.48 C ATOM 407 OG SER A 14 0.022 -6.230 12.681 1.00 0.50 O ATOM 0 H SER A 14 -1.166 -6.201 10.007 1.00 0.45 H new ATOM 0 HA SER A 14 -0.687 -3.499 10.916 1.00 0.44 H new ATOM 0 HB2 SER A 14 1.066 -4.458 12.604 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.606 -4.317 13.109 1.00 0.48 H new ATOM 0 HG SER A 14 0.451 -6.713 11.944 1.00 0.50 H new ATOM 413 N VAL A 15 1.197 -3.655 9.329 1.00 0.38 N ATOM 414 CA VAL A 15 2.321 -3.705 8.400 1.00 0.35 C ATOM 415 C VAL A 15 3.132 -2.413 8.426 1.00 0.34 C ATOM 416 O VAL A 15 2.662 -1.363 7.992 1.00 0.32 O ATOM 417 CB VAL A 15 1.859 -3.962 6.949 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.861 -4.842 6.217 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.472 -4.587 6.915 1.00 0.34 C ATOM 0 H VAL A 15 0.722 -2.753 9.370 1.00 0.38 H new ATOM 0 HA VAL A 15 2.945 -4.535 8.732 1.00 0.35 H new ATOM 0 HB VAL A 15 1.805 -3.000 6.439 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.518 -5.012 5.196 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.832 -4.348 6.196 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.951 -5.798 6.733 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.174 -4.756 5.880 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.488 -5.538 7.448 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.241 -3.916 7.393 1.00 0.34 H new ATOM 429 N ASN A 16 4.352 -2.507 8.938 1.00 0.35 N ATOM 430 CA ASN A 16 5.252 -1.360 9.011 1.00 0.34 C ATOM 431 C ASN A 16 6.365 -1.521 7.983 1.00 0.33 C ATOM 432 O ASN A 16 7.028 -2.558 7.942 1.00 0.34 O ATOM 433 CB ASN A 16 5.841 -1.244 10.413 1.00 0.38 C ATOM 434 CG ASN A 16 5.557 0.103 11.050 1.00 0.39 C ATOM 435 OD1 ASN A 16 5.993 1.172 10.395 1.00 0.41 O flip ATOM 436 ND2 ASN A 16 4.952 0.180 12.120 1.00 0.37 N flip ATOM 0 H ASN A 16 4.744 -3.371 9.312 1.00 0.35 H new ATOM 0 HA ASN A 16 4.693 -0.450 8.794 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.432 -2.034 11.043 1.00 0.38 H new ATOM 0 HB3 ASN A 16 6.919 -1.400 10.365 1.00 0.38 H new ATOM 0 HD21 ASN A 16 4.635 -0.669 12.589 1.00 0.37 H new ATOM 0 HD22 ASN A 16 4.768 1.092 12.537 1.00 0.37 H new ATOM 443 N VAL A 17 6.572 -0.505 7.151 1.00 0.30 N ATOM 444 CA VAL A 17 7.592 -0.592 6.112 1.00 0.29 C ATOM 445 C VAL A 17 8.009 0.783 5.584 1.00 0.27 C ATOM 446 O VAL A 17 7.232 1.735 5.617 1.00 0.26 O ATOM 447 CB VAL A 17 7.067 -1.455 4.945 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.624 -1.089 4.630 1.00 0.25 C ATOM 449 CG2 VAL A 17 7.945 -1.319 3.707 1.00 0.27 C ATOM 0 H VAL A 17 6.056 0.375 7.174 1.00 0.30 H new ATOM 0 HA VAL A 17 8.474 -1.051 6.559 1.00 0.29 H new ATOM 0 HB VAL A 17 7.105 -2.499 5.254 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.264 -1.704 3.805 1.00 0.25 H new ATOM 0 HG12 VAL A 17 5.004 -1.263 5.510 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.568 -0.037 4.349 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.544 -1.941 2.907 1.00 0.27 H new ATOM 0 HG22 VAL A 17 7.961 -0.278 3.385 1.00 0.27 H new ATOM 0 HG23 VAL A 17 8.959 -1.641 3.943 1.00 0.27 H new ATOM 459 N THR A 18 9.248 0.867 5.104 1.00 0.28 N ATOM 460 CA THR A 18 9.785 2.100 4.534 1.00 0.27 C ATOM 461 C THR A 18 10.082 1.889 3.055 1.00 0.26 C ATOM 462 O THR A 18 10.792 0.950 2.691 1.00 0.28 O ATOM 463 CB THR A 18 11.074 2.550 5.248 1.00 0.30 C ATOM 464 OG1 THR A 18 11.176 1.912 6.527 1.00 0.32 O ATOM 465 CG2 THR A 18 11.097 4.062 5.426 1.00 0.30 C ATOM 0 H THR A 18 9.905 0.087 5.099 1.00 0.28 H new ATOM 0 HA THR A 18 9.035 2.880 4.666 1.00 0.27 H new ATOM 0 HB THR A 18 11.924 2.260 4.630 1.00 0.30 H new ATOM 0 HG1 THR A 18 11.999 2.203 6.973 1.00 0.32 H new ATOM 0 HG21 THR A 18 12.017 4.355 5.932 1.00 0.30 H new ATOM 0 HG22 THR A 18 11.051 4.544 4.449 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.240 4.371 6.024 1.00 0.30 H new ATOM 473 N VAL A 19 9.544 2.757 2.202 1.00 0.25 N ATOM 474 CA VAL A 19 9.746 2.626 0.763 1.00 0.25 C ATOM 475 C VAL A 19 9.767 3.984 0.073 1.00 0.25 C ATOM 476 O VAL A 19 9.680 5.028 0.720 1.00 0.25 O ATOM 477 CB VAL A 19 8.635 1.767 0.118 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.668 0.343 0.651 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.270 2.398 0.352 1.00 0.20 C ATOM 0 H VAL A 19 8.969 3.553 2.480 1.00 0.25 H new ATOM 0 HA VAL A 19 10.712 2.139 0.630 1.00 0.25 H new ATOM 0 HB VAL A 19 8.817 1.727 -0.956 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.876 -0.240 0.181 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.634 -0.108 0.424 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.518 0.355 1.731 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.500 1.780 -0.109 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.083 2.473 1.423 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.249 3.394 -0.090 1.00 0.20 H new ATOM 489 N ARG A 20 9.887 3.955 -1.249 1.00 0.26 N ATOM 490 CA ARG A 20 9.908 5.169 -2.054 1.00 0.27 C ATOM 491 C ARG A 20 8.743 5.168 -3.034 1.00 0.26 C ATOM 492 O ARG A 20 8.282 4.108 -3.461 1.00 0.25 O ATOM 493 CB ARG A 20 11.230 5.277 -2.815 1.00 0.30 C ATOM 494 CG ARG A 20 11.559 6.691 -3.266 1.00 0.32 C ATOM 495 CD ARG A 20 12.619 7.321 -2.379 1.00 0.34 C ATOM 496 NE ARG A 20 13.023 8.640 -2.861 1.00 0.36 N ATOM 497 CZ ARG A 20 14.233 8.916 -3.340 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.161 7.968 -3.399 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.516 10.141 -3.760 1.00 0.42 N ATOM 0 H ARG A 20 9.972 3.094 -1.790 1.00 0.26 H new ATOM 0 HA ARG A 20 9.812 6.029 -1.391 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.036 4.910 -2.180 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.191 4.626 -3.688 1.00 0.30 H new ATOM 0 HG2 ARG A 20 11.909 6.674 -4.298 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.656 7.301 -3.246 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.236 7.408 -1.362 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.491 6.668 -2.336 1.00 0.34 H new ATOM 0 HE ARG A 20 12.337 9.394 -2.828 1.00 0.36 H new ATOM 0 HH11 ARG A 20 14.947 7.024 -3.076 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.088 8.184 -3.767 1.00 0.40 H new ATOM 0 HH21 ARG A 20 13.806 10.872 -3.716 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.444 10.353 -4.127 1.00 0.42 H new ATOM 513 N VAL A 21 8.266 6.354 -3.389 1.00 0.26 N ATOM 514 CA VAL A 21 7.149 6.473 -4.316 1.00 0.26 C ATOM 515 C VAL A 21 7.572 6.135 -5.742 1.00 0.28 C ATOM 516 O VAL A 21 8.537 6.686 -6.267 1.00 0.31 O ATOM 517 CB VAL A 21 6.540 7.888 -4.292 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.263 7.934 -5.118 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.274 8.330 -2.861 1.00 0.27 C ATOM 0 H VAL A 21 8.633 7.243 -3.051 1.00 0.26 H new ATOM 0 HA VAL A 21 6.395 5.758 -3.987 1.00 0.26 H new ATOM 0 HB VAL A 21 7.257 8.580 -4.735 1.00 0.27 H new ATOM 0 HG11 VAL A 21 4.847 8.941 -5.089 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.487 7.663 -6.150 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.539 7.231 -4.707 1.00 0.27 H new ATOM 0 HG21 VAL A 21 5.844 9.332 -2.864 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.577 7.637 -2.390 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.210 8.339 -2.303 1.00 0.27 H new ATOM 529 N LEU A 22 6.847 5.211 -6.357 1.00 0.27 N ATOM 530 CA LEU A 22 7.127 4.799 -7.723 1.00 0.30 C ATOM 531 C LEU A 22 6.091 5.386 -8.674 1.00 0.31 C ATOM 532 O LEU A 22 6.338 5.533 -9.871 1.00 0.34 O ATOM 533 CB LEU A 22 7.136 3.274 -7.821 1.00 0.30 C ATOM 534 CG LEU A 22 7.963 2.554 -6.751 1.00 0.29 C ATOM 535 CD1 LEU A 22 8.016 1.061 -7.031 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.370 3.131 -6.677 1.00 0.32 C ATOM 0 H LEU A 22 6.056 4.731 -5.927 1.00 0.27 H new ATOM 0 HA LEU A 22 8.110 5.173 -8.008 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.108 2.917 -7.764 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.517 2.992 -8.802 1.00 0.30 H new ATOM 0 HG LEU A 22 7.478 2.708 -5.787 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.608 0.567 -6.260 1.00 0.30 H new ATOM 0 HD12 LEU A 22 7.005 0.654 -7.028 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.474 0.890 -8.005 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.939 2.605 -5.911 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.863 3.012 -7.642 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.316 4.190 -6.426 1.00 0.32 H new ATOM 548 N GLU A 23 4.929 5.721 -8.121 1.00 0.29 N ATOM 549 CA GLU A 23 3.836 6.294 -8.897 1.00 0.30 C ATOM 550 C GLU A 23 2.811 6.939 -7.973 1.00 0.28 C ATOM 551 O GLU A 23 2.840 6.729 -6.759 1.00 0.25 O ATOM 552 CB GLU A 23 3.167 5.219 -9.756 1.00 0.29 C ATOM 553 CG GLU A 23 2.503 5.769 -11.010 1.00 0.32 C ATOM 554 CD GLU A 23 3.282 5.447 -12.269 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.376 6.018 -12.454 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.796 4.623 -13.073 1.00 0.36 O ATOM 0 H GLU A 23 4.720 5.604 -7.130 1.00 0.29 H new ATOM 0 HA GLU A 23 4.247 7.060 -9.555 1.00 0.30 H new ATOM 0 HB2 GLU A 23 3.914 4.479 -10.045 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.419 4.700 -9.157 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.497 5.358 -11.094 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.399 6.850 -10.918 1.00 0.32 H new ATOM 563 N ALA A 24 1.905 7.722 -8.547 1.00 0.30 N ATOM 564 CA ALA A 24 0.878 8.395 -7.763 1.00 0.29 C ATOM 565 C ALA A 24 -0.264 8.883 -8.646 1.00 0.32 C ATOM 566 O ALA A 24 -0.042 9.584 -9.632 1.00 0.35 O ATOM 567 CB ALA A 24 1.486 9.558 -6.995 1.00 0.31 C ATOM 0 H ALA A 24 1.861 7.906 -9.549 1.00 0.30 H new ATOM 0 HA ALA A 24 0.467 7.675 -7.055 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.710 10.054 -6.412 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.261 9.186 -6.325 1.00 0.31 H new ATOM 0 HB3 ALA A 24 1.923 10.268 -7.697 1.00 0.31 H new ATOM 573 N SER A 25 -1.488 8.508 -8.283 1.00 0.30 N ATOM 574 CA SER A 25 -2.668 8.914 -9.038 1.00 0.33 C ATOM 575 C SER A 25 -3.537 9.855 -8.208 1.00 0.35 C ATOM 576 O SER A 25 -3.524 9.802 -6.979 1.00 0.33 O ATOM 577 CB SER A 25 -3.477 7.688 -9.464 1.00 0.31 C ATOM 578 OG SER A 25 -3.966 7.835 -10.786 1.00 0.33 O ATOM 0 H SER A 25 -1.687 7.924 -7.471 1.00 0.30 H new ATOM 0 HA SER A 25 -2.338 9.443 -9.932 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.853 6.796 -9.401 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.312 7.543 -8.778 1.00 0.31 H new ATOM 0 HG SER A 25 -4.478 7.038 -11.036 1.00 0.33 H new ATOM 584 N GLU A 26 -4.288 10.715 -8.890 1.00 0.38 N ATOM 585 CA GLU A 26 -5.160 11.669 -8.214 1.00 0.41 C ATOM 586 C GLU A 26 -6.283 10.951 -7.472 1.00 0.39 C ATOM 587 O GLU A 26 -6.605 9.801 -7.774 1.00 0.37 O ATOM 588 CB GLU A 26 -5.749 12.656 -9.224 1.00 0.44 C ATOM 589 CG GLU A 26 -4.718 13.251 -10.169 1.00 0.46 C ATOM 590 CD GLU A 26 -3.789 14.231 -9.477 1.00 0.47 C ATOM 591 OE1 GLU A 26 -4.294 15.210 -8.887 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.559 14.020 -9.525 1.00 0.46 O ATOM 0 H GLU A 26 -4.310 10.771 -9.908 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.562 12.217 -7.486 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.516 12.149 -9.810 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -6.243 13.464 -8.684 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -4.129 12.447 -10.610 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -5.230 13.757 -10.987 1.00 0.46 H new ATOM 599 N ALA A 27 -6.754 11.583 -6.420 1.00 0.41 N ATOM 600 CA ALA A 27 -7.757 10.995 -5.559 1.00 0.41 C ATOM 601 C ALA A 27 -9.154 10.999 -6.188 1.00 0.44 C ATOM 602 O ALA A 27 -9.649 12.029 -6.646 1.00 0.48 O ATOM 603 CB ALA A 27 -7.676 11.699 -4.220 1.00 0.43 C ATOM 0 H ALA A 27 -6.454 12.516 -6.137 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.557 9.934 -5.411 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.421 11.280 -3.543 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.681 11.561 -3.796 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.868 12.763 -4.356 1.00 0.43 H new ATOM 609 N ARG A 28 -9.772 9.810 -6.199 1.00 0.41 N ATOM 610 CA ARG A 28 -11.090 9.599 -6.806 1.00 0.43 C ATOM 611 C ARG A 28 -12.050 8.869 -5.848 1.00 0.43 C ATOM 612 O ARG A 28 -11.627 8.198 -4.913 1.00 0.44 O ATOM 613 CB ARG A 28 -10.896 8.801 -8.114 1.00 0.42 C ATOM 614 CG ARG A 28 -12.067 7.912 -8.516 1.00 0.56 C ATOM 615 CD ARG A 28 -11.610 6.502 -8.865 1.00 0.65 C ATOM 616 NE ARG A 28 -12.737 5.578 -9.000 1.00 0.86 N ATOM 617 CZ ARG A 28 -12.656 4.264 -8.789 1.00 1.02 C ATOM 618 NH1 ARG A 28 -11.501 3.706 -8.449 1.00 1.03 N ATOM 619 NH2 ARG A 28 -13.736 3.504 -8.919 1.00 1.24 N ATOM 0 H ARG A 28 -9.371 8.968 -5.787 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.547 10.565 -7.022 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.701 9.504 -8.923 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -10.007 8.178 -8.012 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.788 7.869 -7.700 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.580 8.351 -9.372 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -11.046 6.524 -9.797 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -10.934 6.138 -8.092 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.641 5.963 -9.273 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -10.666 4.283 -8.347 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -11.448 2.700 -8.289 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -14.628 3.925 -9.180 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -13.675 2.499 -8.758 1.00 1.24 H new ATOM 633 N GLN A 29 -13.348 9.013 -6.105 1.00 0.45 N ATOM 634 CA GLN A 29 -14.388 8.388 -5.297 1.00 0.46 C ATOM 635 C GLN A 29 -14.713 6.982 -5.789 1.00 0.44 C ATOM 636 O GLN A 29 -14.755 6.729 -6.992 1.00 0.43 O ATOM 637 CB GLN A 29 -15.664 9.228 -5.351 1.00 0.51 C ATOM 638 CG GLN A 29 -15.572 10.529 -4.584 1.00 0.54 C ATOM 639 CD GLN A 29 -16.861 11.327 -4.626 1.00 0.61 C ATOM 640 OE1 GLN A 29 -17.056 12.169 -5.502 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.750 11.065 -3.675 1.00 0.84 N ATOM 0 H GLN A 29 -13.707 9.568 -6.882 1.00 0.45 H new ATOM 0 HA GLN A 29 -14.013 8.325 -4.275 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.900 9.447 -6.392 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.492 8.641 -4.954 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.315 10.317 -3.546 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.763 11.132 -4.996 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.547 10.358 -2.968 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.636 11.570 -3.652 1.00 0.84 H new ATOM 650 N ILE A 30 -14.948 6.073 -4.850 1.00 0.43 N ATOM 651 CA ILE A 30 -15.300 4.705 -5.185 1.00 0.40 C ATOM 652 C ILE A 30 -16.639 4.349 -4.535 1.00 0.42 C ATOM 653 O ILE A 30 -17.075 5.009 -3.593 1.00 0.45 O ATOM 654 CB ILE A 30 -14.226 3.694 -4.717 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.289 3.533 -3.206 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.832 4.138 -5.136 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.620 2.275 -2.699 1.00 0.39 C ATOM 0 H ILE A 30 -14.900 6.263 -3.849 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.370 4.641 -6.271 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.432 2.735 -5.192 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.819 4.398 -2.738 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.333 3.530 -2.893 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.099 3.408 -4.793 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.786 4.216 -6.222 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.611 5.109 -4.693 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.706 2.230 -1.613 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.105 1.403 -3.138 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.567 2.284 -2.980 1.00 0.39 H new ATOM 669 N GLN A 31 -17.278 3.307 -5.037 1.00 0.41 N ATOM 670 CA GLN A 31 -18.561 2.863 -4.509 1.00 0.44 C ATOM 671 C GLN A 31 -18.422 1.504 -3.832 1.00 0.43 C ATOM 672 O GLN A 31 -18.159 0.496 -4.490 1.00 0.42 O ATOM 673 CB GLN A 31 -19.601 2.784 -5.630 1.00 0.44 C ATOM 674 CG GLN A 31 -20.119 4.139 -6.085 1.00 0.47 C ATOM 675 CD GLN A 31 -21.108 4.026 -7.228 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.313 3.897 -7.012 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.604 4.075 -8.456 1.00 0.50 N ATOM 0 H GLN A 31 -16.928 2.748 -5.815 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.894 3.590 -3.768 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.162 2.268 -6.484 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.442 2.180 -5.290 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.596 4.644 -5.244 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.279 4.760 -6.395 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.599 4.183 -8.591 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.222 4.005 -9.264 1.00 0.50 H new ATOM 686 N THR A 32 -18.591 1.484 -2.514 1.00 0.45 N ATOM 687 CA THR A 32 -18.485 0.247 -1.745 1.00 0.46 C ATOM 688 C THR A 32 -19.842 -0.202 -1.232 1.00 0.50 C ATOM 689 O THR A 32 -20.875 0.376 -1.575 1.00 0.53 O ATOM 690 CB THR A 32 -17.530 0.395 -0.545 1.00 0.45 C ATOM 691 OG1 THR A 32 -18.039 1.367 0.373 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.142 0.799 -1.011 1.00 0.42 C ATOM 0 H THR A 32 -18.802 2.311 -1.955 1.00 0.45 H new ATOM 0 HA THR A 32 -18.084 -0.502 -2.428 1.00 0.46 H new ATOM 0 HB THR A 32 -17.460 -0.569 -0.041 1.00 0.45 H new ATOM 0 HG1 THR A 32 -18.677 1.950 -0.089 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.483 0.898 -0.148 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.748 0.037 -1.683 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.198 1.752 -1.536 1.00 0.42 H new ATOM 700 N LYS A 33 -19.827 -1.240 -0.407 1.00 0.50 N ATOM 701 CA LYS A 33 -21.048 -1.776 0.172 1.00 0.54 C ATOM 702 C LYS A 33 -21.448 -0.982 1.414 1.00 0.57 C ATOM 703 O LYS A 33 -22.529 -1.177 1.970 1.00 0.61 O ATOM 704 CB LYS A 33 -20.853 -3.248 0.535 1.00 0.55 C ATOM 705 CG LYS A 33 -19.761 -3.479 1.568 1.00 0.55 C ATOM 706 CD LYS A 33 -19.786 -4.900 2.104 1.00 0.55 C ATOM 707 CE LYS A 33 -18.859 -5.056 3.299 1.00 0.60 C ATOM 708 NZ LYS A 33 -18.899 -6.436 3.857 1.00 0.56 N ATOM 0 H LYS A 33 -18.978 -1.729 -0.124 1.00 0.50 H new ATOM 0 HA LYS A 33 -21.846 -1.692 -0.566 1.00 0.54 H new ATOM 0 HB2 LYS A 33 -21.793 -3.648 0.916 1.00 0.55 H new ATOM 0 HB3 LYS A 33 -20.612 -3.808 -0.369 1.00 0.55 H new ATOM 0 HG2 LYS A 33 -18.788 -3.276 1.121 1.00 0.55 H new ATOM 0 HG3 LYS A 33 -19.886 -2.777 2.392 1.00 0.55 H new ATOM 0 HD2 LYS A 33 -20.803 -5.164 2.393 1.00 0.55 H new ATOM 0 HD3 LYS A 33 -19.488 -5.593 1.317 1.00 0.55 H new ATOM 0 HE2 LYS A 33 -17.839 -4.815 3.001 1.00 0.60 H new ATOM 0 HE3 LYS A 33 -19.142 -4.343 4.073 1.00 0.60 H new ATOM 0 HZ1 LYS A 33 -18.253 -6.501 4.670 1.00 0.56 H new ATOM 0 HZ2 LYS A 33 -19.867 -6.658 4.165 1.00 0.56 H new ATOM 0 HZ3 LYS A 33 -18.604 -7.115 3.126 1.00 0.56 H new ATOM 722 N ASN A 34 -20.561 -0.086 1.841 1.00 0.55 N ATOM 723 CA ASN A 34 -20.808 0.740 3.018 1.00 0.58 C ATOM 724 C ASN A 34 -21.046 2.195 2.625 1.00 0.60 C ATOM 725 O ASN A 34 -21.150 3.070 3.486 1.00 0.63 O ATOM 726 CB ASN A 34 -19.629 0.652 3.992 1.00 0.56 C ATOM 727 CG ASN A 34 -19.433 -0.745 4.546 1.00 0.57 C ATOM 728 OD1 ASN A 34 -18.668 -1.541 4.001 1.00 0.54 O ATOM 729 ND2 ASN A 34 -20.125 -1.050 5.637 1.00 0.64 N ATOM 0 H ASN A 34 -19.664 0.086 1.388 1.00 0.55 H new ATOM 0 HA ASN A 34 -21.705 0.362 3.509 1.00 0.58 H new ATOM 0 HB2 ASN A 34 -18.718 0.968 3.483 1.00 0.56 H new ATOM 0 HB3 ASN A 34 -19.791 1.346 4.816 1.00 0.56 H new ATOM 0 HD21 ASN A 34 -20.034 -1.975 6.057 1.00 0.64 H new ATOM 0 HD22 ASN A 34 -20.748 -0.359 6.056 1.00 0.64 H new ATOM 736 N GLY A 35 -21.127 2.447 1.323 1.00 0.59 N ATOM 737 CA GLY A 35 -21.354 3.799 0.843 1.00 0.61 C ATOM 738 C GLY A 35 -20.257 4.279 -0.085 1.00 0.57 C ATOM 739 O GLY A 35 -19.641 3.480 -0.787 1.00 0.53 O ATOM 0 H GLY A 35 -21.040 1.741 0.592 1.00 0.59 H new ATOM 0 HA2 GLY A 35 -22.310 3.840 0.321 1.00 0.61 H new ATOM 0 HA3 GLY A 35 -21.427 4.476 1.694 1.00 0.61 H new ATOM 743 N VAL A 36 -20.010 5.584 -0.096 1.00 0.59 N ATOM 744 CA VAL A 36 -18.974 6.141 -0.957 1.00 0.56 C ATOM 745 C VAL A 36 -17.827 6.756 -0.149 1.00 0.55 C ATOM 746 O VAL A 36 -18.032 7.436 0.859 1.00 0.59 O ATOM 747 CB VAL A 36 -19.554 7.163 -1.964 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.266 8.305 -1.253 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.468 7.699 -2.883 1.00 0.56 C ATOM 0 H VAL A 36 -20.506 6.269 0.474 1.00 0.59 H new ATOM 0 HA VAL A 36 -18.562 5.309 -1.529 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.291 6.638 -2.573 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.661 9.003 -1.991 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -21.086 7.907 -0.656 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.562 8.824 -0.603 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.902 8.415 -3.581 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.699 8.192 -2.288 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -18.023 6.874 -3.440 1.00 0.56 H new ATOM 759 N ARG A 37 -16.618 6.478 -0.619 1.00 0.52 N ATOM 760 CA ARG A 37 -15.376 6.933 -0.009 1.00 0.51 C ATOM 761 C ARG A 37 -14.436 7.479 -1.062 1.00 0.49 C ATOM 762 O ARG A 37 -14.668 7.321 -2.257 1.00 0.47 O ATOM 763 CB ARG A 37 -14.741 5.843 0.780 1.00 0.49 C ATOM 764 CG ARG A 37 -14.818 4.473 0.136 1.00 0.47 C ATOM 765 CD ARG A 37 -16.043 3.739 0.630 1.00 0.52 C ATOM 766 NE ARG A 37 -15.829 3.138 1.947 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.746 3.106 2.915 1.00 0.53 C ATOM 768 NH1 ARG A 37 -17.943 3.645 2.723 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.463 2.535 4.080 1.00 0.56 N ATOM 0 H ARG A 37 -16.471 5.915 -1.457 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.607 7.743 0.683 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.693 6.094 0.945 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.216 5.797 1.760 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.857 4.573 -0.949 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -13.921 3.900 0.371 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.884 4.430 0.680 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.312 2.961 -0.084 1.00 0.52 H new ATOM 0 HE ARG A 37 -14.920 2.716 2.137 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -18.166 4.087 1.831 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.640 3.617 3.467 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.544 2.121 4.235 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.165 2.511 4.820 1.00 0.56 H new ATOM 783 N THR A 38 -13.371 8.118 -0.614 1.00 0.48 N ATOM 784 CA THR A 38 -12.433 8.747 -1.526 1.00 0.46 C ATOM 785 C THR A 38 -11.067 8.154 -1.369 1.00 0.42 C ATOM 786 O THR A 38 -10.372 8.418 -0.403 1.00 0.42 O ATOM 787 CB THR A 38 -12.348 10.257 -1.280 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.495 10.537 0.115 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.406 11.007 -2.066 1.00 0.53 C ATOM 0 H THR A 38 -13.134 8.215 0.373 1.00 0.48 H new ATOM 0 HA THR A 38 -12.797 8.570 -2.538 1.00 0.46 H new ATOM 0 HB THR A 38 -11.369 10.595 -1.619 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.438 11.504 0.262 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.317 12.075 -1.868 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.267 10.822 -3.131 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.395 10.663 -1.764 1.00 0.53 H new ATOM 797 N ILE A 39 -10.672 7.364 -2.333 1.00 0.39 N ATOM 798 CA ILE A 39 -9.392 6.712 -2.266 1.00 0.35 C ATOM 799 C ILE A 39 -8.597 6.884 -3.542 1.00 0.33 C ATOM 800 O ILE A 39 -9.095 7.381 -4.549 1.00 0.36 O ATOM 801 CB ILE A 39 -9.583 5.226 -2.007 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.467 4.634 -3.077 1.00 0.33 C ATOM 803 CG2 ILE A 39 -10.212 5.012 -0.656 1.00 0.35 C ATOM 804 CD1 ILE A 39 -10.009 3.271 -3.520 1.00 0.29 C ATOM 0 H ILE A 39 -11.216 7.157 -3.171 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.837 7.177 -1.451 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.610 4.735 -2.027 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.488 4.566 -2.702 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.487 5.303 -3.937 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.344 3.944 -0.481 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.566 5.429 0.116 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -11.182 5.508 -0.624 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.682 2.894 -4.290 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -8.998 3.340 -3.923 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.015 2.591 -2.668 1.00 0.29 H new ATOM 816 N SER A 40 -7.355 6.459 -3.487 1.00 0.29 N ATOM 817 CA SER A 40 -6.477 6.547 -4.625 1.00 0.28 C ATOM 818 C SER A 40 -5.463 5.430 -4.577 1.00 0.24 C ATOM 819 O SER A 40 -5.321 4.747 -3.561 1.00 0.22 O ATOM 820 CB SER A 40 -5.766 7.891 -4.649 1.00 0.30 C ATOM 821 OG SER A 40 -5.150 8.105 -5.899 1.00 0.30 O ATOM 0 H SER A 40 -6.930 6.046 -2.657 1.00 0.29 H new ATOM 0 HA SER A 40 -7.073 6.454 -5.533 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.480 8.690 -4.448 1.00 0.30 H new ATOM 0 HB3 SER A 40 -5.017 7.926 -3.858 1.00 0.30 H new ATOM 0 HG SER A 40 -4.614 8.924 -5.863 1.00 0.30 H new ATOM 827 N GLU A 41 -4.759 5.250 -5.673 1.00 0.23 N ATOM 828 CA GLU A 41 -3.773 4.213 -5.761 1.00 0.20 C ATOM 829 C GLU A 41 -2.421 4.794 -6.171 1.00 0.20 C ATOM 830 O GLU A 41 -2.341 5.641 -7.061 1.00 0.24 O ATOM 831 CB GLU A 41 -4.261 3.178 -6.766 1.00 0.21 C ATOM 832 CG GLU A 41 -3.769 1.764 -6.500 1.00 0.21 C ATOM 833 CD GLU A 41 -2.690 1.321 -7.465 1.00 0.35 C ATOM 834 OE1 GLU A 41 -2.949 1.311 -8.687 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.584 0.982 -6.997 1.00 0.53 O ATOM 0 H GLU A 41 -4.857 5.815 -6.516 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.635 3.738 -4.790 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.351 3.176 -6.767 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.942 3.479 -7.764 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.385 1.705 -5.482 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.611 1.074 -6.564 1.00 0.21 H new ATOM 842 N ALA A 42 -1.366 4.340 -5.506 1.00 0.17 N ATOM 843 CA ALA A 42 -0.014 4.817 -5.777 1.00 0.18 C ATOM 844 C ALA A 42 0.993 3.684 -5.637 1.00 0.17 C ATOM 845 O ALA A 42 0.963 2.942 -4.664 1.00 0.15 O ATOM 846 CB ALA A 42 0.329 5.941 -4.819 1.00 0.20 C ATOM 0 H ALA A 42 -1.421 3.637 -4.769 1.00 0.17 H new ATOM 0 HA ALA A 42 0.030 5.188 -6.801 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.339 6.297 -5.022 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.378 6.760 -4.951 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.272 5.575 -3.794 1.00 0.20 H new ATOM 852 N ILE A 43 1.881 3.550 -6.611 1.00 0.19 N ATOM 853 CA ILE A 43 2.886 2.497 -6.578 1.00 0.20 C ATOM 854 C ILE A 43 4.122 2.902 -5.772 1.00 0.21 C ATOM 855 O ILE A 43 4.631 3.999 -5.911 1.00 0.23 O ATOM 856 CB ILE A 43 3.325 2.095 -8.004 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.106 1.792 -8.879 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.251 0.889 -7.956 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.163 0.773 -8.279 1.00 0.21 C ATOM 0 H ILE A 43 1.927 4.155 -7.431 1.00 0.19 H new ATOM 0 HA ILE A 43 2.416 1.645 -6.088 1.00 0.20 H new ATOM 0 HB ILE A 43 3.866 2.933 -8.443 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.560 2.718 -9.058 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.447 1.431 -9.849 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.550 0.620 -8.969 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.136 1.133 -7.369 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.731 0.049 -7.496 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.324 0.611 -8.956 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.693 -0.167 -8.126 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.791 1.140 -7.322 1.00 0.21 H new ATOM 871 N VAL A 44 4.514 2.019 -4.867 1.00 0.19 N ATOM 872 CA VAL A 44 5.703 2.148 -4.031 1.00 0.20 C ATOM 873 C VAL A 44 6.473 0.863 -4.074 1.00 0.22 C ATOM 874 O VAL A 44 5.994 -0.174 -4.529 1.00 0.23 O ATOM 875 CB VAL A 44 5.301 2.283 -2.527 1.00 0.21 C ATOM 876 CG1 VAL A 44 4.932 3.687 -2.138 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.021 1.603 -2.409 1.00 0.16 C ATOM 0 H VAL A 44 3.995 1.160 -4.686 1.00 0.19 H new ATOM 0 HA VAL A 44 6.263 3.010 -4.393 1.00 0.20 H new ATOM 0 HB VAL A 44 6.136 1.918 -1.929 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.663 3.713 -1.082 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.781 4.348 -2.313 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.084 4.020 -2.737 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.674 1.656 -1.377 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.292 2.083 -3.062 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.136 0.559 -2.700 1.00 0.16 H new ATOM 887 N GLY A 45 7.654 0.965 -3.578 1.00 0.24 N ATOM 888 CA GLY A 45 8.474 -0.213 -3.350 1.00 0.26 C ATOM 889 C GLY A 45 9.882 0.125 -2.898 1.00 0.29 C ATOM 890 O GLY A 45 10.289 1.287 -2.921 1.00 0.29 O ATOM 0 H GLY A 45 8.093 1.848 -3.315 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.997 -0.841 -2.597 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.523 -0.798 -4.268 1.00 0.26 H new ATOM 894 N ASP A 46 10.625 -0.899 -2.490 1.00 0.31 N ATOM 895 CA ASP A 46 11.997 -0.718 -2.030 1.00 0.34 C ATOM 896 C ASP A 46 12.942 -1.653 -2.774 1.00 0.38 C ATOM 897 O ASP A 46 12.589 -2.209 -3.813 1.00 0.39 O ATOM 898 CB ASP A 46 12.092 -0.969 -0.522 1.00 0.33 C ATOM 899 CG ASP A 46 11.582 -2.341 -0.125 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.202 -3.120 -1.024 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.561 -2.637 1.089 1.00 0.34 O ATOM 0 H ASP A 46 10.299 -1.865 -2.469 1.00 0.31 H new ATOM 0 HA ASP A 46 12.292 0.311 -2.236 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.130 -0.866 -0.205 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.520 -0.206 0.006 1.00 0.33 H new ATOM 906 N GLU A 47 14.145 -1.827 -2.234 1.00 0.40 N ATOM 907 CA GLU A 47 15.142 -2.692 -2.852 1.00 0.44 C ATOM 908 C GLU A 47 14.828 -4.167 -2.608 1.00 0.45 C ATOM 909 O GLU A 47 15.578 -5.047 -3.029 1.00 0.49 O ATOM 910 CB GLU A 47 16.537 -2.365 -2.313 1.00 0.46 C ATOM 911 CG GLU A 47 16.595 -2.248 -0.797 1.00 0.45 C ATOM 912 CD GLU A 47 17.753 -3.020 -0.197 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.893 -4.220 -0.512 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.519 -2.424 0.589 1.00 0.49 O ATOM 0 H GLU A 47 14.452 -1.380 -1.370 1.00 0.40 H new ATOM 0 HA GLU A 47 15.117 -2.510 -3.926 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.232 -3.140 -2.636 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.877 -1.428 -2.754 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.681 -1.197 -0.520 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.660 -2.614 -0.372 1.00 0.45 H new ATOM 921 N THR A 48 13.717 -4.433 -1.926 1.00 0.43 N ATOM 922 CA THR A 48 13.318 -5.805 -1.627 1.00 0.44 C ATOM 923 C THR A 48 12.138 -6.251 -2.485 1.00 0.43 C ATOM 924 O THR A 48 11.647 -7.372 -2.339 1.00 0.44 O ATOM 925 CB THR A 48 12.947 -5.961 -0.144 1.00 0.43 C ATOM 926 OG1 THR A 48 11.599 -5.533 0.074 1.00 0.39 O ATOM 927 CG2 THR A 48 13.888 -5.147 0.729 1.00 0.43 C ATOM 0 H THR A 48 13.080 -3.720 -1.571 1.00 0.43 H new ATOM 0 HA THR A 48 14.176 -6.437 -1.856 1.00 0.44 H new ATOM 0 HB THR A 48 13.039 -7.014 0.124 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.389 -4.791 -0.531 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.610 -5.269 1.776 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.911 -5.493 0.582 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.818 -4.094 0.456 1.00 0.43 H new ATOM 935 N GLY A 49 11.686 -5.377 -3.378 1.00 0.41 N ATOM 936 CA GLY A 49 10.569 -5.717 -4.243 1.00 0.41 C ATOM 937 C GLY A 49 9.673 -4.532 -4.542 1.00 0.37 C ATOM 938 O GLY A 49 10.143 -3.398 -4.639 1.00 0.36 O ATOM 0 H GLY A 49 12.071 -4.443 -3.519 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.952 -6.122 -5.180 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.978 -6.503 -3.773 1.00 0.41 H new ATOM 942 N ARG A 50 8.392 -4.813 -4.727 1.00 0.35 N ATOM 943 CA ARG A 50 7.422 -3.798 -5.043 1.00 0.31 C ATOM 944 C ARG A 50 6.030 -4.268 -4.655 1.00 0.29 C ATOM 945 O ARG A 50 5.687 -5.439 -4.803 1.00 0.31 O ATOM 946 CB ARG A 50 7.458 -3.482 -6.531 1.00 0.33 C ATOM 947 CG ARG A 50 6.394 -2.498 -6.944 1.00 0.30 C ATOM 948 CD ARG A 50 5.935 -2.747 -8.367 1.00 0.32 C ATOM 949 NE ARG A 50 6.850 -2.179 -9.351 1.00 0.36 N ATOM 950 CZ ARG A 50 6.471 -1.736 -10.546 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.192 -1.773 -10.898 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.372 -1.249 -11.388 1.00 0.42 N ATOM 0 H ARG A 50 8.004 -5.754 -4.660 1.00 0.35 H new ATOM 0 HA ARG A 50 7.666 -2.896 -4.481 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.438 -3.080 -6.789 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.333 -4.405 -7.097 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.543 -2.574 -6.267 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.781 -1.483 -6.857 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.845 -3.820 -8.535 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.943 -2.318 -8.507 1.00 0.32 H new ATOM 0 HE ARG A 50 7.839 -2.118 -9.108 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.495 -2.142 -10.251 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.906 -1.432 -11.816 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.355 -1.214 -11.119 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.082 -0.909 -12.305 1.00 0.42 H new ATOM 966 N VAL A 51 5.241 -3.335 -4.174 1.00 0.25 N ATOM 967 CA VAL A 51 3.882 -3.605 -3.749 1.00 0.23 C ATOM 968 C VAL A 51 2.979 -2.389 -3.993 1.00 0.19 C ATOM 969 O VAL A 51 3.355 -1.255 -3.699 1.00 0.18 O ATOM 970 CB VAL A 51 3.841 -4.000 -2.256 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.548 -2.964 -1.392 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.413 -4.179 -1.805 1.00 0.21 C ATOM 0 H VAL A 51 5.523 -2.361 -4.065 1.00 0.25 H new ATOM 0 HA VAL A 51 3.510 -4.440 -4.343 1.00 0.23 H new ATOM 0 HB VAL A 51 4.369 -4.946 -2.140 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.502 -3.270 -0.347 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.590 -2.882 -1.701 1.00 0.22 H new ATOM 0 HG13 VAL A 51 4.058 -1.997 -1.509 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.396 -4.457 -0.751 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.868 -3.245 -1.942 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.941 -4.964 -2.395 1.00 0.21 H new ATOM 982 N LYS A 52 1.800 -2.635 -4.561 1.00 0.18 N ATOM 983 CA LYS A 52 0.835 -1.571 -4.840 1.00 0.15 C ATOM 984 C LYS A 52 0.253 -0.981 -3.543 1.00 0.13 C ATOM 985 O LYS A 52 -0.203 -1.717 -2.669 1.00 0.14 O ATOM 986 CB LYS A 52 -0.293 -2.112 -5.728 1.00 0.16 C ATOM 987 CG LYS A 52 0.182 -3.119 -6.771 1.00 0.21 C ATOM 988 CD LYS A 52 -0.159 -2.673 -8.185 1.00 0.23 C ATOM 989 CE LYS A 52 0.563 -3.513 -9.231 1.00 0.29 C ATOM 990 NZ LYS A 52 0.155 -4.946 -9.176 1.00 0.28 N ATOM 0 H LYS A 52 1.488 -3.566 -4.838 1.00 0.18 H new ATOM 0 HA LYS A 52 1.357 -0.770 -5.363 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.047 -2.583 -5.097 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.777 -1.277 -6.235 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.260 -3.253 -6.682 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.276 -4.088 -6.575 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.235 -2.746 -8.340 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.111 -1.624 -8.311 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.354 -3.114 -10.224 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.639 -3.436 -9.077 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.631 -5.472 -9.936 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.424 -5.348 -8.256 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -0.875 -5.019 -9.298 1.00 0.28 H new ATOM 1004 N LEU A 53 0.281 0.353 -3.430 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.238 1.053 -2.250 1.00 0.12 C ATOM 1006 C LEU A 53 -1.619 1.653 -2.528 1.00 0.13 C ATOM 1007 O LEU A 53 -1.869 2.225 -3.585 1.00 0.13 O ATOM 1008 CB LEU A 53 0.747 2.153 -1.817 1.00 0.13 C ATOM 1009 CG LEU A 53 0.656 2.645 -0.360 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.469 3.652 -0.178 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.477 1.479 0.594 1.00 0.17 C ATOM 0 H LEU A 53 0.660 0.972 -4.147 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.344 0.330 -1.441 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.759 1.786 -1.987 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.604 3.012 -2.473 1.00 0.13 H new ATOM 0 HG LEU A 53 1.596 3.146 -0.128 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.502 3.976 0.862 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.293 4.514 -0.821 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.419 3.188 -0.444 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.415 1.852 1.616 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.440 0.944 0.347 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.327 0.802 0.505 1.00 0.17 H new ATOM 1023 N THR A 54 -2.499 1.502 -1.552 1.00 0.16 N ATOM 1024 CA THR A 54 -3.871 1.995 -1.627 1.00 0.18 C ATOM 1025 C THR A 54 -4.201 2.898 -0.454 1.00 0.22 C ATOM 1026 O THR A 54 -4.387 2.438 0.661 1.00 0.25 O ATOM 1027 CB THR A 54 -4.917 0.873 -1.651 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.402 -0.276 -2.329 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.167 1.368 -2.352 1.00 0.23 C ATOM 0 H THR A 54 -2.282 1.029 -0.675 1.00 0.16 H new ATOM 0 HA THR A 54 -3.918 2.545 -2.567 1.00 0.18 H new ATOM 0 HB THR A 54 -5.159 0.590 -0.627 1.00 0.21 H new ATOM 0 HG1 THR A 54 -3.722 -0.708 -1.771 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.913 0.573 -2.371 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.568 2.229 -1.817 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.921 1.659 -3.373 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.301 4.170 -0.723 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.622 5.156 0.289 1.00 0.26 C ATOM 1039 C LEU A 55 -6.120 5.195 0.530 1.00 0.28 C ATOM 1040 O LEU A 55 -6.902 4.889 -0.369 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.144 6.494 -0.198 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.848 6.427 -0.992 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -3.053 7.011 -2.360 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.725 7.143 -0.277 1.00 0.25 C ATOM 0 H LEU A 55 -4.162 4.561 -1.655 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.135 4.899 1.230 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.918 6.942 -0.820 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -4.002 7.153 0.658 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.564 5.379 -1.089 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.120 6.959 -2.921 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.824 6.447 -2.885 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.364 8.052 -2.268 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.814 7.076 -0.872 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -1.991 8.191 -0.138 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.559 6.679 0.695 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.526 5.594 1.730 1.00 0.32 N ATOM 1057 CA TRP A 56 -7.941 5.611 2.059 1.00 0.36 C ATOM 1058 C TRP A 56 -8.429 6.927 2.682 1.00 0.40 C ATOM 1059 O TRP A 56 -7.922 7.385 3.708 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.236 4.410 2.954 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.359 3.146 2.152 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.355 2.281 1.814 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.557 2.622 1.565 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.846 1.266 1.032 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.215 1.445 0.875 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.884 3.044 1.558 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.181 0.695 0.189 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.810 2.304 0.877 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.458 1.147 0.210 1.00 0.34 C ATOM 0 H TRP A 56 -5.906 5.905 2.478 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.504 5.540 1.128 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.440 4.299 3.691 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.160 4.584 3.506 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.324 2.382 2.119 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.297 0.505 0.632 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.177 3.942 2.082 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.917 -0.210 -0.337 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.839 2.631 0.860 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.222 0.587 -0.309 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.428 7.513 2.009 1.00 0.42 N ATOM 1081 CA GLY A 57 -10.066 8.758 2.424 1.00 0.47 C ATOM 1082 C GLY A 57 -9.191 9.997 2.255 1.00 0.47 C ATOM 1083 O GLY A 57 -9.093 10.532 1.151 1.00 0.46 O ATOM 0 H GLY A 57 -9.817 7.126 1.149 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -10.982 8.893 1.849 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.357 8.673 3.471 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.560 10.467 3.333 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.715 11.669 3.259 1.00 0.50 C ATOM 1089 C LYS A 58 -6.310 11.364 2.733 1.00 0.46 C ATOM 1090 O LYS A 58 -5.650 12.249 2.196 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.650 12.389 4.615 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.737 11.465 5.819 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.438 10.709 6.024 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.689 9.277 6.446 1.00 0.49 C ATOM 1095 NZ LYS A 58 -7.096 9.179 7.876 1.00 0.55 N ATOM 0 H LYS A 58 -8.614 10.042 4.259 1.00 0.49 H new ATOM 0 HA LYS A 58 -8.186 12.338 2.539 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.718 12.952 4.670 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.463 13.113 4.668 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.967 12.047 6.712 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.555 10.758 5.680 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.859 10.721 5.100 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.838 11.213 6.782 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.468 8.845 5.817 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.786 8.688 6.285 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.258 8.182 8.123 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.343 9.567 8.479 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.972 9.719 8.025 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.861 10.118 2.884 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.564 9.687 2.377 1.00 0.39 C ATOM 1111 C HIS A 59 -4.581 9.643 0.855 1.00 0.36 C ATOM 1112 O HIS A 59 -3.536 9.711 0.206 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.210 8.304 2.927 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.619 8.334 4.302 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -3.990 7.697 5.436 1.00 0.38 N flip ATOM 1116 CD2 HIS A 59 -2.508 9.082 4.630 1.00 0.39 C flip ATOM 1117 CE1 HIS A 59 -3.105 8.068 6.418 1.00 0.40 C flip ATOM 1118 NE2 HIS A 59 -2.221 8.902 5.908 1.00 0.41 N flip ATOM 0 H HIS A 59 -6.386 9.384 3.360 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.811 10.404 2.706 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.109 7.688 2.941 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.505 7.823 2.249 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -1.958 9.716 3.950 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -3.129 7.731 7.444 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -1.448 9.335 6.413 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.780 9.530 0.295 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.959 9.467 -1.149 1.00 0.36 C ATOM 1128 C ALA A 60 -5.361 10.684 -1.846 1.00 0.37 C ATOM 1129 O ALA A 60 -5.725 11.822 -1.553 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.436 9.342 -1.484 1.00 0.38 C ATOM 0 H ALA A 60 -6.650 9.480 0.826 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.429 8.587 -1.513 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.561 9.296 -2.566 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.836 8.434 -1.033 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.972 10.207 -1.094 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.442 10.430 -2.774 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.805 11.508 -3.513 1.00 0.37 C ATOM 1138 C GLY A 61 -3.103 12.515 -2.616 1.00 0.39 C ATOM 1139 O GLY A 61 -2.645 13.557 -3.086 1.00 0.41 O ATOM 0 H GLY A 61 -4.126 9.494 -3.028 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -3.081 11.084 -4.209 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.557 12.025 -4.110 1.00 0.37 H new ATOM 1143 N SER A 62 -3.016 12.207 -1.326 1.00 0.39 N ATOM 1144 CA SER A 62 -2.368 13.100 -0.370 1.00 0.41 C ATOM 1145 C SER A 62 -0.860 12.882 -0.347 1.00 0.39 C ATOM 1146 O SER A 62 -0.108 13.740 0.119 1.00 0.41 O ATOM 1147 CB SER A 62 -2.946 12.888 1.029 1.00 0.42 C ATOM 1148 OG SER A 62 -2.134 13.504 2.014 1.00 0.44 O ATOM 0 H SER A 62 -3.385 11.348 -0.918 1.00 0.39 H new ATOM 0 HA SER A 62 -2.560 14.125 -0.686 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.955 13.299 1.075 1.00 0.42 H new ATOM 0 HB3 SER A 62 -3.027 11.821 1.235 1.00 0.42 H new ATOM 0 HG SER A 62 -2.525 13.356 2.900 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.418 11.735 -0.852 1.00 0.35 N ATOM 1155 CA ILE A 63 1.003 11.413 -0.878 1.00 0.33 C ATOM 1156 C ILE A 63 1.732 12.185 -1.972 1.00 0.35 C ATOM 1157 O ILE A 63 1.113 12.848 -2.805 1.00 0.37 O ATOM 1158 CB ILE A 63 1.244 9.905 -1.079 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.366 9.369 -2.207 1.00 0.28 C ATOM 1160 CG2 ILE A 63 0.975 9.151 0.214 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.155 8.854 -3.390 1.00 0.26 C ATOM 0 H ILE A 63 -1.022 11.015 -1.248 1.00 0.35 H new ATOM 0 HA ILE A 63 1.401 11.707 0.093 1.00 0.33 H new ATOM 0 HB ILE A 63 2.287 9.753 -1.357 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.260 8.565 -1.819 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.304 10.160 -2.543 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.149 8.086 0.057 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.642 9.517 0.994 1.00 0.28 H new ATOM 0 HG23 ILE A 63 -0.060 9.308 0.518 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.469 8.488 -4.154 1.00 0.26 H new ATOM 0 HD12 ILE A 63 1.761 9.661 -3.803 1.00 0.26 H new ATOM 0 HD13 ILE A 63 1.805 8.041 -3.067 1.00 0.26 H new ATOM 1173 N LYS A 64 3.054 12.086 -1.952 1.00 0.34 N ATOM 1174 CA LYS A 64 3.906 12.769 -2.914 1.00 0.36 C ATOM 1175 C LYS A 64 4.410 11.810 -3.987 1.00 0.34 C ATOM 1176 O LYS A 64 3.993 10.654 -4.057 1.00 0.31 O ATOM 1177 CB LYS A 64 5.088 13.425 -2.200 1.00 0.38 C ATOM 1178 CG LYS A 64 4.888 14.907 -1.924 1.00 0.41 C ATOM 1179 CD LYS A 64 6.175 15.563 -1.449 1.00 0.43 C ATOM 1180 CE LYS A 64 5.893 16.728 -0.513 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.123 17.185 0.192 1.00 0.47 N ATOM 0 H LYS A 64 3.566 11.529 -1.268 1.00 0.34 H new ATOM 0 HA LYS A 64 3.309 13.539 -3.403 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.263 12.909 -1.256 1.00 0.38 H new ATOM 0 HB3 LYS A 64 5.985 13.295 -2.806 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.538 15.403 -2.829 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.112 15.036 -1.169 1.00 0.41 H new ATOM 0 HD2 LYS A 64 6.794 14.825 -0.938 1.00 0.43 H new ATOM 0 HD3 LYS A 64 6.744 15.915 -2.309 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.472 17.557 -1.082 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.143 16.431 0.220 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 6.888 17.980 0.820 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.512 16.402 0.755 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 7.829 17.493 -0.506 1.00 0.47 H new ATOM 1195 N GLU A 65 5.311 12.315 -4.817 1.00 0.36 N ATOM 1196 CA GLU A 65 5.907 11.542 -5.899 1.00 0.36 C ATOM 1197 C GLU A 65 7.168 10.875 -5.378 1.00 0.35 C ATOM 1198 O GLU A 65 7.430 10.935 -4.182 1.00 0.34 O ATOM 1199 CB GLU A 65 6.234 12.441 -7.094 1.00 0.40 C ATOM 1200 CG GLU A 65 5.421 12.119 -8.337 1.00 0.40 C ATOM 1201 CD GLU A 65 5.379 13.271 -9.320 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.447 13.636 -9.854 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.277 13.810 -9.556 1.00 0.45 O ATOM 0 H GLU A 65 5.651 13.275 -4.760 1.00 0.36 H new ATOM 0 HA GLU A 65 5.199 10.786 -6.239 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.060 13.480 -6.815 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.294 12.348 -7.329 1.00 0.40 H new ATOM 0 HG2 GLU A 65 5.845 11.243 -8.827 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.404 11.859 -8.044 1.00 0.40 H new ATOM 1210 N GLY A 66 7.926 10.230 -6.259 1.00 0.36 N ATOM 1211 CA GLY A 66 9.118 9.507 -5.835 1.00 0.35 C ATOM 1212 C GLY A 66 9.931 10.227 -4.773 1.00 0.36 C ATOM 1213 O GLY A 66 10.894 10.935 -5.069 1.00 0.39 O ATOM 0 H GLY A 66 7.738 10.193 -7.261 1.00 0.36 H new ATOM 0 HA2 GLY A 66 8.821 8.531 -5.451 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.751 9.329 -6.704 1.00 0.35 H new ATOM 1217 N GLN A 67 9.510 10.024 -3.524 1.00 0.34 N ATOM 1218 CA GLN A 67 10.157 10.602 -2.354 1.00 0.35 C ATOM 1219 C GLN A 67 10.245 9.538 -1.261 1.00 0.32 C ATOM 1220 O GLN A 67 9.517 8.547 -1.302 1.00 0.30 O ATOM 1221 CB GLN A 67 9.366 11.817 -1.851 1.00 0.36 C ATOM 1222 CG GLN A 67 7.952 11.487 -1.400 1.00 0.34 C ATOM 1223 CD GLN A 67 7.805 11.479 0.105 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.399 12.472 0.709 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.134 10.353 0.718 1.00 0.31 N ATOM 0 H GLN A 67 8.700 9.446 -3.298 1.00 0.34 H new ATOM 0 HA GLN A 67 11.159 10.937 -2.621 1.00 0.35 H new ATOM 0 HB2 GLN A 67 9.906 12.271 -1.020 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.319 12.562 -2.645 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.261 12.215 -1.824 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.668 10.511 -1.794 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.466 9.555 0.176 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.056 10.283 1.733 1.00 0.31 H new ATOM 1234 N VAL A 68 11.127 9.735 -0.288 1.00 0.33 N ATOM 1235 CA VAL A 68 11.278 8.760 0.791 1.00 0.31 C ATOM 1236 C VAL A 68 10.167 8.894 1.826 1.00 0.30 C ATOM 1237 O VAL A 68 10.072 9.903 2.524 1.00 0.32 O ATOM 1238 CB VAL A 68 12.634 8.894 1.505 1.00 0.33 C ATOM 1239 CG1 VAL A 68 12.939 7.629 2.292 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.742 9.191 0.504 1.00 0.36 C ATOM 0 H VAL A 68 11.741 10.547 -0.221 1.00 0.33 H new ATOM 0 HA VAL A 68 11.221 7.779 0.319 1.00 0.31 H new ATOM 0 HB VAL A 68 12.580 9.730 2.203 1.00 0.33 H new ATOM 0 HG11 VAL A 68 13.901 7.735 2.793 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.159 7.466 3.035 1.00 0.32 H new ATOM 0 HG13 VAL A 68 12.976 6.778 1.612 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.693 9.282 1.030 1.00 0.36 H new ATOM 0 HG22 VAL A 68 13.805 8.379 -0.221 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.523 10.125 -0.014 1.00 0.36 H new ATOM 1250 N VAL A 69 9.334 7.862 1.922 1.00 0.28 N ATOM 1251 CA VAL A 69 8.230 7.848 2.877 1.00 0.27 C ATOM 1252 C VAL A 69 8.385 6.699 3.859 1.00 0.27 C ATOM 1253 O VAL A 69 9.319 5.905 3.759 1.00 0.27 O ATOM 1254 CB VAL A 69 6.851 7.714 2.190 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.025 8.976 2.383 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.000 7.385 0.709 1.00 0.24 C ATOM 0 H VAL A 69 9.403 7.022 1.348 1.00 0.28 H new ATOM 0 HA VAL A 69 8.268 8.805 3.397 1.00 0.27 H new ATOM 0 HB VAL A 69 6.324 6.886 2.663 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.060 8.858 1.891 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.871 9.151 3.448 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.552 9.826 1.949 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.013 7.297 0.255 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.558 8.180 0.214 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.536 6.442 0.598 1.00 0.24 H new ATOM 1266 N LYS A 70 7.463 6.616 4.807 1.00 0.27 N ATOM 1267 CA LYS A 70 7.489 5.558 5.803 1.00 0.28 C ATOM 1268 C LYS A 70 6.079 5.065 6.090 1.00 0.28 C ATOM 1269 O LYS A 70 5.284 5.759 6.726 1.00 0.30 O ATOM 1270 CB LYS A 70 8.142 6.060 7.092 1.00 0.31 C ATOM 1271 CG LYS A 70 8.530 4.946 8.051 1.00 0.32 C ATOM 1272 CD LYS A 70 8.041 5.230 9.462 1.00 0.35 C ATOM 1273 CE LYS A 70 8.650 4.264 10.464 1.00 0.37 C ATOM 1274 NZ LYS A 70 8.136 4.497 11.843 1.00 0.40 N ATOM 0 H LYS A 70 6.687 7.270 4.906 1.00 0.27 H new ATOM 0 HA LYS A 70 8.076 4.728 5.411 1.00 0.28 H new ATOM 0 HB2 LYS A 70 9.032 6.636 6.838 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.455 6.740 7.597 1.00 0.31 H new ATOM 0 HG2 LYS A 70 8.111 4.002 7.703 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.614 4.831 8.057 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.297 6.253 9.739 1.00 0.35 H new ATOM 0 HD3 LYS A 70 6.954 5.153 9.495 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.429 3.240 10.162 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.735 4.371 10.458 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.576 3.818 12.497 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.369 5.466 12.141 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 7.104 4.370 11.855 1.00 0.40 H new ATOM 1288 N ILE A 71 5.774 3.862 5.618 1.00 0.26 N ATOM 1289 CA ILE A 71 4.462 3.275 5.832 1.00 0.26 C ATOM 1290 C ILE A 71 4.346 2.743 7.249 1.00 0.29 C ATOM 1291 O ILE A 71 5.306 2.207 7.804 1.00 0.30 O ATOM 1292 CB ILE A 71 4.178 2.137 4.837 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.336 2.646 3.399 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.784 1.563 5.067 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.162 3.463 2.899 1.00 0.20 C ATOM 0 H ILE A 71 6.418 3.277 5.086 1.00 0.26 H new ATOM 0 HA ILE A 71 3.726 4.063 5.672 1.00 0.26 H new ATOM 0 HB ILE A 71 4.900 1.336 4.998 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.240 3.253 3.337 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.479 1.792 2.737 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.599 0.759 4.355 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.715 1.172 6.082 1.00 0.24 H new ATOM 0 HG23 ILE A 71 2.040 2.348 4.929 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.352 3.785 1.875 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.258 2.855 2.926 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.030 4.338 3.536 1.00 0.20 H new ATOM 1307 N GLU A 72 3.167 2.893 7.831 1.00 0.31 N ATOM 1308 CA GLU A 72 2.923 2.445 9.178 1.00 0.34 C ATOM 1309 C GLU A 72 1.898 1.330 9.195 1.00 0.35 C ATOM 1310 O GLU A 72 1.419 0.879 8.155 1.00 0.33 O ATOM 1311 CB GLU A 72 2.447 3.608 10.048 1.00 0.38 C ATOM 1312 CG GLU A 72 3.058 3.617 11.441 1.00 0.41 C ATOM 1313 CD GLU A 72 2.045 3.304 12.523 1.00 0.44 C ATOM 1314 OE1 GLU A 72 1.067 4.072 12.660 1.00 0.46 O ATOM 1315 OE2 GLU A 72 2.227 2.294 13.235 1.00 0.46 O ATOM 0 H GLU A 72 2.362 3.327 7.380 1.00 0.31 H new ATOM 0 HA GLU A 72 3.859 2.061 9.584 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.688 4.546 9.549 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.362 3.564 10.137 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.867 2.888 11.484 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.500 4.595 11.634 1.00 0.41 H new ATOM 1322 N ASN A 73 1.580 0.903 10.395 1.00 0.39 N ATOM 1323 CA ASN A 73 0.619 -0.156 10.631 1.00 0.40 C ATOM 1324 C ASN A 73 -0.688 0.075 9.883 1.00 0.39 C ATOM 1325 O ASN A 73 -1.505 0.904 10.287 1.00 0.41 O ATOM 1326 CB ASN A 73 0.330 -0.186 12.120 1.00 0.45 C ATOM 1327 CG ASN A 73 0.211 -1.590 12.675 1.00 0.47 C ATOM 1328 OD1 ASN A 73 1.199 -2.319 12.772 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -1.005 -1.977 13.046 1.00 0.49 N ATOM 0 H ASN A 73 1.986 1.285 11.249 1.00 0.39 H new ATOM 0 HA ASN A 73 1.039 -1.096 10.274 1.00 0.40 H new ATOM 0 HB2 ASN A 73 1.124 0.341 12.649 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.596 0.355 12.315 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.148 -2.911 13.429 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -1.795 -1.340 12.948 1.00 0.49 H new ATOM 1336 N ALA A 74 -0.830 -0.658 8.787 1.00 0.36 N ATOM 1337 CA ALA A 74 -2.031 -0.602 7.996 1.00 0.35 C ATOM 1338 C ALA A 74 -2.633 -1.986 7.878 1.00 0.36 C ATOM 1339 O ALA A 74 -3.258 -2.474 8.822 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.721 -0.041 6.623 1.00 0.31 C ATOM 0 H ALA A 74 -0.119 -1.298 8.432 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.752 0.053 8.484 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.635 -0.002 6.031 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.311 0.964 6.725 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -0.993 -0.681 6.124 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.382 -2.634 6.744 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.885 -3.973 6.484 1.00 0.34 C ATOM 1348 C TRP A 75 -2.563 -4.406 5.075 1.00 0.31 C ATOM 1349 O TRP A 75 -2.095 -3.621 4.251 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.394 -4.053 6.714 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.200 -3.017 5.981 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.573 -3.042 4.673 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.764 -1.816 6.530 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.325 -1.943 4.387 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.459 -1.183 5.509 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.743 -1.221 7.777 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -7.131 0.009 5.689 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.407 -0.026 7.965 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -7.099 0.580 6.914 1.00 0.42 C ATOM 0 H TRP A 75 -1.825 -2.244 5.983 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.390 -4.646 7.184 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.741 -5.042 6.414 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.590 -3.957 7.782 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.312 -3.817 3.967 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.725 -1.724 3.475 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.213 -1.686 8.595 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.667 0.473 4.874 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.391 0.446 8.936 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.614 1.514 7.082 1.00 0.42 H new ATOM 1370 N THR A 76 -2.822 -5.669 4.819 1.00 0.32 N ATOM 1371 CA THR A 76 -2.574 -6.254 3.525 1.00 0.30 C ATOM 1372 C THR A 76 -3.746 -7.113 3.115 1.00 0.33 C ATOM 1373 O THR A 76 -4.261 -7.906 3.904 1.00 0.36 O ATOM 1374 CB THR A 76 -1.306 -7.118 3.514 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.236 -7.890 4.717 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.056 -6.270 3.379 1.00 0.29 C ATOM 0 H THR A 76 -3.211 -6.318 5.504 1.00 0.32 H new ATOM 0 HA THR A 76 -2.436 -5.431 2.824 1.00 0.30 H new ATOM 0 HB THR A 76 -1.359 -7.781 2.651 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.393 -8.389 4.737 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.823 -6.915 3.375 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.097 -5.707 2.447 1.00 0.29 H new ATOM 0 HG23 THR A 76 0.006 -5.578 4.218 1.00 0.29 H new ATOM 1384 N THR A 77 -4.168 -6.947 1.882 1.00 0.32 N ATOM 1385 CA THR A 77 -5.283 -7.706 1.356 1.00 0.36 C ATOM 1386 C THR A 77 -4.883 -8.297 0.011 1.00 0.32 C ATOM 1387 O THR A 77 -4.363 -7.593 -0.852 1.00 0.26 O ATOM 1388 CB THR A 77 -6.548 -6.822 1.215 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.512 -6.112 -0.026 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.664 -5.823 2.379 1.00 0.37 C ATOM 0 H THR A 77 -3.754 -6.290 1.221 1.00 0.32 H new ATOM 0 HA THR A 77 -5.529 -8.509 2.051 1.00 0.36 H new ATOM 0 HB THR A 77 -7.419 -7.476 1.238 1.00 0.38 H new ATOM 0 HG1 THR A 77 -6.511 -5.148 0.149 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.561 -5.218 2.251 1.00 0.37 H new ATOM 0 HG22 THR A 77 -6.725 -6.368 3.321 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.788 -5.175 2.391 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.106 -9.591 -0.166 1.00 0.38 N ATOM 1399 CA ALA A 78 -4.723 -10.254 -1.404 1.00 0.37 C ATOM 1400 C ALA A 78 -5.797 -10.141 -2.478 1.00 0.35 C ATOM 1401 O ALA A 78 -6.835 -10.797 -2.403 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.395 -11.713 -1.135 1.00 0.43 C ATOM 0 H ALA A 78 -5.546 -10.198 0.525 1.00 0.38 H new ATOM 0 HA ALA A 78 -3.836 -9.747 -1.784 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.110 -12.200 -2.068 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -3.570 -11.776 -0.426 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.270 -12.212 -0.718 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.540 -9.301 -3.479 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.449 -9.121 -4.572 1.00 0.26 C ATOM 1410 C PHE A 79 -5.999 -9.926 -5.779 1.00 0.27 C ATOM 1411 O PHE A 79 -4.885 -9.746 -6.269 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.536 -7.650 -4.946 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.848 -7.331 -5.560 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.955 -7.192 -4.765 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.985 -7.228 -6.921 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.179 -6.949 -5.310 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -9.208 -6.978 -7.477 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.313 -6.838 -6.672 1.00 0.31 C ATOM 0 H PHE A 79 -4.694 -8.735 -3.541 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.432 -9.472 -4.259 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.388 -7.036 -4.057 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.735 -7.401 -5.642 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.856 -7.276 -3.693 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -7.120 -7.345 -7.557 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -11.044 -6.844 -4.671 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -9.306 -6.890 -8.549 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.281 -6.642 -7.108 1.00 0.31 H new ATOM 1428 N LYS A 80 -6.873 -10.822 -6.238 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.605 -11.667 -7.406 1.00 0.32 C ATOM 1430 C LYS A 80 -5.418 -12.610 -7.185 1.00 0.34 C ATOM 1431 O LYS A 80 -4.843 -13.128 -8.144 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.378 -10.798 -8.645 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.533 -9.856 -8.937 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.786 -10.592 -9.380 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.925 -9.615 -9.612 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.228 -10.303 -9.830 1.00 0.43 N ATOM 0 H LYS A 80 -7.786 -10.984 -5.813 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.483 -12.294 -7.562 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.467 -10.214 -8.509 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.217 -11.443 -9.509 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.755 -9.271 -8.044 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.236 -9.151 -9.714 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.584 -11.147 -10.296 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -9.073 -11.321 -8.622 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -10.008 -8.948 -8.754 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.696 -8.993 -10.478 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.973 -9.594 -9.984 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -11.160 -10.920 -10.664 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.462 -10.876 -8.994 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.056 -12.837 -5.921 1.00 0.35 N ATOM 1451 CA GLY A 81 -3.962 -13.739 -5.615 1.00 0.38 C ATOM 1452 C GLY A 81 -2.666 -13.021 -5.295 1.00 0.37 C ATOM 1453 O GLY A 81 -1.722 -13.637 -4.801 1.00 0.39 O ATOM 0 H GLY A 81 -5.502 -12.412 -5.108 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.242 -14.364 -4.767 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -3.801 -14.405 -6.463 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.611 -11.722 -5.573 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.419 -10.936 -5.276 1.00 0.33 C ATOM 1459 C GLN A 82 -1.650 -10.114 -4.021 1.00 0.30 C ATOM 1460 O GLN A 82 -2.741 -9.591 -3.812 1.00 0.29 O ATOM 1461 CB GLN A 82 -1.043 -9.992 -6.421 1.00 0.32 C ATOM 1462 CG GLN A 82 -1.997 -9.999 -7.603 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.399 -8.597 -8.028 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.581 -7.707 -7.054 1.00 0.28 O flip ATOM 1465 NE2 GLN A 82 -2.556 -8.320 -9.216 1.00 0.24 N flip ATOM 0 H GLN A 82 -3.372 -11.195 -6.000 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.598 -11.639 -5.134 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -0.983 -8.977 -6.029 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -0.047 -10.256 -6.777 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.527 -10.510 -8.443 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -2.890 -10.567 -7.343 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.406 -9.033 -9.930 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -2.836 -7.378 -9.487 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.624 -9.990 -3.190 1.00 0.31 N ATOM 1475 CA VAL A 83 -0.750 -9.217 -1.962 1.00 0.30 C ATOM 1476 C VAL A 83 -0.807 -7.722 -2.277 1.00 0.26 C ATOM 1477 O VAL A 83 -0.260 -7.272 -3.285 1.00 0.25 O ATOM 1478 CB VAL A 83 0.419 -9.484 -0.988 1.00 0.33 C ATOM 1479 CG1 VAL A 83 0.084 -8.975 0.403 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.775 -10.962 -0.954 1.00 0.38 C ATOM 0 H VAL A 83 0.294 -10.409 -3.341 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.676 -9.532 -1.481 1.00 0.30 H new ATOM 0 HB VAL A 83 1.291 -8.939 -1.349 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.920 -9.173 1.074 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.103 -7.902 0.363 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -0.806 -9.485 0.772 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.601 -11.122 -0.261 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.091 -11.537 -0.626 1.00 0.38 H new ATOM 0 HG23 VAL A 83 1.071 -11.288 -1.951 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.456 -6.955 -1.409 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.583 -5.521 -1.619 1.00 0.21 C ATOM 1492 C GLN A 84 -1.520 -4.787 -0.288 1.00 0.21 C ATOM 1493 O GLN A 84 -1.849 -5.347 0.752 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.892 -5.201 -2.348 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.803 -3.983 -3.251 1.00 0.26 C ATOM 1496 CD GLN A 84 -4.062 -3.769 -4.066 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.194 -4.289 -5.175 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.996 -3.003 -3.519 1.00 0.37 N ATOM 0 H GLN A 84 -1.900 -7.301 -0.558 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.753 -5.184 -2.240 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.186 -6.064 -2.945 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.679 -5.040 -1.611 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.613 -3.098 -2.644 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.953 -4.096 -3.924 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.844 -2.593 -2.598 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.867 -2.824 -4.020 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.097 -3.533 -0.332 1.00 0.19 N ATOM 1508 CA LEU A 85 -0.969 -2.723 0.871 1.00 0.20 C ATOM 1509 C LEU A 85 -1.871 -1.503 0.799 1.00 0.19 C ATOM 1510 O LEU A 85 -2.151 -0.998 -0.285 1.00 0.17 O ATOM 1511 CB LEU A 85 0.481 -2.290 1.023 1.00 0.19 C ATOM 1512 CG LEU A 85 1.050 -2.352 2.439 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.316 -3.194 2.462 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.332 -0.950 2.947 1.00 0.22 C ATOM 0 H LEU A 85 -0.835 -3.052 -1.192 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.272 -3.316 1.734 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.097 -2.916 0.377 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.575 -1.267 0.659 1.00 0.19 H new ATOM 0 HG LEU A 85 0.316 -2.819 3.095 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.711 -3.230 3.477 1.00 0.25 H new ATOM 0 HD12 LEU A 85 2.087 -4.205 2.126 1.00 0.25 H new ATOM 0 HD13 LEU A 85 3.059 -2.751 1.799 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.737 -1.004 3.957 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.055 -0.464 2.291 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.407 -0.374 2.958 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.336 -1.037 1.954 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.218 0.130 2.006 1.00 0.22 C ATOM 1528 C ASN A 86 -2.813 1.048 3.119 1.00 0.24 C ATOM 1529 O ASN A 86 -1.901 0.741 3.875 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.664 -0.289 2.247 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.104 -1.351 1.293 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -5.782 -1.071 0.315 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.698 -2.572 1.578 1.00 0.26 N ATOM 0 H ASN A 86 -2.120 -1.445 2.863 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.134 0.640 1.046 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.771 -0.653 3.269 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.315 0.580 2.148 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -4.948 -3.349 0.966 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -4.134 -2.740 2.411 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.451 2.202 3.186 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.183 3.110 4.272 1.00 0.28 C ATOM 1542 C ALA A 87 -4.461 3.767 4.761 1.00 0.32 C ATOM 1543 O ALA A 87 -5.129 4.483 4.019 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.183 4.161 3.846 1.00 0.27 C ATOM 0 H ALA A 87 -4.145 2.524 2.512 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.760 2.535 5.096 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -1.991 4.839 4.678 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.252 3.678 3.549 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.584 4.724 3.003 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.782 3.527 6.023 1.00 0.36 N ATOM 1551 CA GLY A 88 -5.968 4.109 6.607 1.00 0.40 C ATOM 1552 C GLY A 88 -5.713 4.950 7.842 1.00 0.44 C ATOM 1553 O GLY A 88 -4.876 5.850 7.836 1.00 0.43 O ATOM 0 H GLY A 88 -4.239 2.937 6.654 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.461 4.728 5.857 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.661 3.308 6.865 1.00 0.40 H new ATOM 1557 N SER A 89 -6.446 4.639 8.915 1.00 0.48 N ATOM 1558 CA SER A 89 -6.355 5.399 10.160 1.00 0.52 C ATOM 1559 C SER A 89 -5.160 5.037 11.057 1.00 0.52 C ATOM 1560 O SER A 89 -4.392 5.928 11.425 1.00 0.52 O ATOM 1561 CB SER A 89 -7.653 5.276 10.958 1.00 0.56 C ATOM 1562 OG SER A 89 -8.747 5.833 10.248 1.00 0.56 O ATOM 0 H SER A 89 -7.109 3.865 8.944 1.00 0.48 H new ATOM 0 HA SER A 89 -6.190 6.430 9.847 1.00 0.52 H new ATOM 0 HB2 SER A 89 -7.852 4.226 11.173 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.543 5.783 11.917 1.00 0.56 H new ATOM 0 HG SER A 89 -9.564 5.739 10.780 1.00 0.56 H new ATOM 1568 N LYS A 90 -4.995 3.750 11.441 1.00 0.51 N ATOM 1569 CA LYS A 90 -3.864 3.379 12.318 1.00 0.51 C ATOM 1570 C LYS A 90 -2.547 3.520 11.572 1.00 0.47 C ATOM 1571 O LYS A 90 -1.475 3.297 12.129 1.00 0.47 O ATOM 1572 CB LYS A 90 -3.976 1.956 12.915 1.00 0.53 C ATOM 1573 CG LYS A 90 -3.876 0.821 11.915 1.00 0.56 C ATOM 1574 CD LYS A 90 -5.243 0.300 11.526 1.00 0.71 C ATOM 1575 CE LYS A 90 -5.326 -1.205 11.717 1.00 0.94 C ATOM 1576 NZ LYS A 90 -6.693 -1.640 12.103 1.00 1.25 N ATOM 0 H LYS A 90 -5.605 2.979 11.170 1.00 0.51 H new ATOM 0 HA LYS A 90 -3.899 4.072 13.158 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.191 1.831 13.661 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -4.929 1.874 13.438 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.350 1.165 11.024 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -3.285 0.011 12.341 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -6.008 0.790 12.129 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.449 0.550 10.485 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -5.033 -1.705 10.794 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -4.617 -1.513 12.485 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -6.666 -2.069 13.050 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -7.329 -0.817 12.113 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -7.042 -2.339 11.416 1.00 1.25 H new ATOM 1590 N THR A 91 -2.650 3.888 10.308 1.00 0.45 N ATOM 1591 CA THR A 91 -1.501 4.086 9.461 1.00 0.40 C ATOM 1592 C THR A 91 -1.154 5.570 9.401 1.00 0.42 C ATOM 1593 O THR A 91 -2.023 6.405 9.141 1.00 0.45 O ATOM 1594 CB THR A 91 -1.800 3.617 8.028 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.654 2.472 8.058 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.518 3.296 7.278 1.00 0.32 C ATOM 0 H THR A 91 -3.542 4.058 9.843 1.00 0.45 H new ATOM 0 HA THR A 91 -0.673 3.511 9.877 1.00 0.40 H new ATOM 0 HB THR A 91 -2.304 4.427 7.502 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.468 1.947 8.864 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.760 2.967 6.268 1.00 0.32 H new ATOM 0 HG22 THR A 91 0.108 4.187 7.229 1.00 0.32 H new ATOM 0 HG23 THR A 91 0.019 2.503 7.799 1.00 0.32 H new ATOM 1604 N LYS A 92 0.099 5.897 9.646 1.00 0.41 N ATOM 1605 CA LYS A 92 0.547 7.281 9.591 1.00 0.42 C ATOM 1606 C LYS A 92 1.681 7.405 8.590 1.00 0.39 C ATOM 1607 O LYS A 92 2.779 6.897 8.825 1.00 0.37 O ATOM 1608 CB LYS A 92 1.006 7.751 10.972 1.00 0.46 C ATOM 1609 CG LYS A 92 0.080 8.774 11.610 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.250 8.161 12.019 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.176 9.210 12.609 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.470 8.627 13.058 1.00 0.67 N ATOM 0 H LYS A 92 0.828 5.225 9.886 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.284 7.912 9.275 1.00 0.42 H new ATOM 0 HB2 LYS A 92 1.087 6.887 11.631 1.00 0.46 H new ATOM 0 HB3 LYS A 92 2.004 8.181 10.886 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.565 9.206 12.486 1.00 0.51 H new ATOM 0 HG3 LYS A 92 -0.097 9.590 10.909 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.723 7.700 11.152 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -1.080 7.369 12.749 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.684 9.693 13.453 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.366 9.984 11.866 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.230 9.324 12.923 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.679 7.774 12.500 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.406 8.375 14.065 1.00 0.67 H new ATOM 1626 N ILE A 93 1.424 8.066 7.465 1.00 0.37 N ATOM 1627 CA ILE A 93 2.456 8.201 6.443 1.00 0.35 C ATOM 1628 C ILE A 93 3.198 9.525 6.587 1.00 0.37 C ATOM 1629 O ILE A 93 2.599 10.549 6.915 1.00 0.40 O ATOM 1630 CB ILE A 93 1.869 8.115 5.021 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.760 7.062 4.959 1.00 0.31 C ATOM 1632 CG2 ILE A 93 2.970 7.796 4.018 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.045 7.012 3.625 1.00 0.29 C ATOM 0 H ILE A 93 0.532 8.507 7.241 1.00 0.37 H new ATOM 0 HA ILE A 93 3.149 7.372 6.590 1.00 0.35 H new ATOM 0 HB ILE A 93 1.434 9.081 4.764 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.189 6.082 5.169 1.00 0.31 H new ATOM 0 HG13 ILE A 93 0.032 7.266 5.744 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.544 7.738 3.016 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.726 8.581 4.046 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.429 6.841 4.273 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.727 6.243 3.655 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.414 7.980 3.422 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.761 6.777 2.837 1.00 0.29 H new ATOM 1645 N ALA A 94 4.505 9.496 6.342 1.00 0.36 N ATOM 1646 CA ALA A 94 5.321 10.699 6.445 1.00 0.38 C ATOM 1647 C ALA A 94 6.674 10.512 5.767 1.00 0.36 C ATOM 1648 O ALA A 94 7.188 9.397 5.680 1.00 0.34 O ATOM 1649 CB ALA A 94 5.510 11.091 7.904 1.00 0.41 C ATOM 0 H ALA A 94 5.018 8.657 6.072 1.00 0.36 H new ATOM 0 HA ALA A 94 4.796 11.503 5.929 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.122 11.991 7.963 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.538 11.283 8.358 1.00 0.41 H new ATOM 0 HB3 ALA A 94 6.006 10.280 8.437 1.00 0.41 H new ATOM 1655 N GLU A 95 7.245 11.615 5.291 1.00 0.38 N ATOM 1656 CA GLU A 95 8.540 11.580 4.620 1.00 0.37 C ATOM 1657 C GLU A 95 9.646 11.196 5.596 1.00 0.37 C ATOM 1658 O GLU A 95 9.713 11.714 6.709 1.00 0.40 O ATOM 1659 CB GLU A 95 8.847 12.940 3.990 1.00 0.39 C ATOM 1660 CG GLU A 95 7.693 13.513 3.184 1.00 0.40 C ATOM 1661 CD GLU A 95 7.012 14.672 3.884 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.608 15.768 3.936 1.00 0.46 O ATOM 1663 OE2 GLU A 95 5.881 14.484 4.381 1.00 0.44 O ATOM 0 H GLU A 95 6.831 12.545 5.358 1.00 0.38 H new ATOM 0 HA GLU A 95 8.496 10.826 3.834 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.113 13.644 4.778 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.718 12.842 3.342 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.062 13.846 2.214 1.00 0.40 H new ATOM 0 HG3 GLU A 95 6.962 12.727 2.995 1.00 0.40 H new ATOM 1670 N ALA A 96 10.513 10.283 5.167 1.00 0.36 N ATOM 1671 CA ALA A 96 11.618 9.826 6.003 1.00 0.36 C ATOM 1672 C ALA A 96 12.956 10.027 5.301 1.00 0.37 C ATOM 1673 O ALA A 96 13.084 9.777 4.103 1.00 0.36 O ATOM 1674 CB ALA A 96 11.428 8.362 6.368 1.00 0.34 C ATOM 0 H ALA A 96 10.472 9.846 4.246 1.00 0.36 H new ATOM 0 HA ALA A 96 11.623 10.422 6.916 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.259 8.032 6.992 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.493 8.242 6.915 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.396 7.762 5.459 1.00 0.34 H new ATOM 1680 N SER A 97 13.952 10.486 6.054 1.00 0.39 N ATOM 1681 CA SER A 97 15.283 10.720 5.502 1.00 0.40 C ATOM 1682 C SER A 97 16.281 9.698 6.037 1.00 0.41 C ATOM 1683 O SER A 97 16.435 9.542 7.249 1.00 0.41 O ATOM 1684 CB SER A 97 15.755 12.135 5.836 1.00 0.43 C ATOM 1685 OG SER A 97 15.605 12.410 7.218 1.00 0.44 O ATOM 0 H SER A 97 13.863 10.703 7.047 1.00 0.39 H new ATOM 0 HA SER A 97 15.224 10.611 4.419 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.801 12.250 5.551 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.185 12.859 5.254 1.00 0.43 H new ATOM 0 HG SER A 97 15.779 11.596 7.734 1.00 0.44 H new ATOM 1691 N GLU A 98 16.957 9.004 5.126 1.00 0.41 N ATOM 1692 CA GLU A 98 17.942 7.998 5.507 1.00 0.41 C ATOM 1693 C GLU A 98 19.265 8.234 4.783 1.00 0.44 C ATOM 1694 O GLU A 98 19.578 9.362 4.399 1.00 0.45 O ATOM 1695 CB GLU A 98 17.411 6.596 5.198 1.00 0.40 C ATOM 1696 CG GLU A 98 16.205 6.204 6.035 1.00 0.38 C ATOM 1697 CD GLU A 98 16.577 5.342 7.225 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.397 4.415 7.055 1.00 0.40 O ATOM 1699 OE2 GLU A 98 16.049 5.595 8.329 1.00 0.39 O ATOM 0 H GLU A 98 16.840 9.120 4.119 1.00 0.41 H new ATOM 0 HA GLU A 98 18.120 8.080 6.579 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.143 6.542 4.143 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.208 5.871 5.362 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.703 7.105 6.387 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.493 5.666 5.410 1.00 0.38 H new ATOM 1706 N ASP A 99 20.040 7.168 4.604 1.00 0.45 N ATOM 1707 CA ASP A 99 21.328 7.264 3.926 1.00 0.47 C ATOM 1708 C ASP A 99 21.151 7.260 2.410 1.00 0.48 C ATOM 1709 O ASP A 99 22.106 7.033 1.667 1.00 0.50 O ATOM 1710 CB ASP A 99 22.236 6.108 4.348 1.00 0.49 C ATOM 1711 CG ASP A 99 22.888 6.347 5.694 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.152 6.479 6.695 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.135 6.405 5.750 1.00 0.52 O ATOM 0 H ASP A 99 19.798 6.228 4.919 1.00 0.45 H new ATOM 0 HA ASP A 99 21.792 8.207 4.215 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.653 5.188 4.388 1.00 0.49 H new ATOM 0 HB3 ASP A 99 23.009 5.963 3.594 1.00 0.49 H new ATOM 1718 N GLY A 100 19.926 7.510 1.960 1.00 0.45 N ATOM 1719 CA GLY A 100 19.649 7.532 0.535 1.00 0.46 C ATOM 1720 C GLY A 100 18.951 6.273 0.057 1.00 0.44 C ATOM 1721 O GLY A 100 19.597 5.350 -0.439 1.00 0.46 O ATOM 0 H GLY A 100 19.120 7.698 2.556 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.029 8.398 0.303 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.584 7.654 -0.011 1.00 0.46 H new ATOM 1725 N PHE A 101 17.630 6.236 0.209 1.00 0.41 N ATOM 1726 CA PHE A 101 16.844 5.081 -0.211 1.00 0.40 C ATOM 1727 C PHE A 101 16.989 4.849 -1.716 1.00 0.42 C ATOM 1728 O PHE A 101 17.127 5.802 -2.483 1.00 0.43 O ATOM 1729 CB PHE A 101 15.370 5.288 0.147 1.00 0.36 C ATOM 1730 CG PHE A 101 14.769 4.144 0.914 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.176 3.868 2.210 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.797 3.343 0.337 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.626 2.815 2.915 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.245 2.288 1.038 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.661 2.023 2.327 1.00 0.33 C ATOM 0 H PHE A 101 17.082 6.992 0.620 1.00 0.41 H new ATOM 0 HA PHE A 101 17.218 4.201 0.313 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.273 6.200 0.736 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.800 5.439 -0.770 1.00 0.36 H new ATOM 0 HD1 PHE A 101 15.932 4.484 2.674 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.467 3.545 -0.671 1.00 0.33 H new ATOM 0 HE1 PHE A 101 14.951 2.612 3.925 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.488 1.671 0.577 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.232 1.197 2.875 1.00 0.33 H new ATOM 1745 N PRO A 102 16.962 3.576 -2.158 1.00 0.42 N ATOM 1746 CA PRO A 102 17.092 3.230 -3.580 1.00 0.44 C ATOM 1747 C PRO A 102 16.128 4.015 -4.463 1.00 0.43 C ATOM 1748 O PRO A 102 14.997 4.299 -4.065 1.00 0.40 O ATOM 1749 CB PRO A 102 16.755 1.739 -3.616 1.00 0.44 C ATOM 1750 CG PRO A 102 17.104 1.242 -2.257 1.00 0.44 C ATOM 1751 CD PRO A 102 16.806 2.374 -1.315 1.00 0.41 C ATOM 0 HA PRO A 102 18.084 3.467 -3.965 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.701 1.576 -3.839 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.327 1.222 -4.386 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.519 0.358 -2.002 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.154 0.956 -2.204 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.799 2.300 -0.905 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.495 2.385 -0.470 1.00 0.41 H new ATOM 1759 N GLU A 103 16.583 4.364 -5.663 1.00 0.46 N ATOM 1760 CA GLU A 103 15.763 5.115 -6.606 1.00 0.46 C ATOM 1761 C GLU A 103 14.687 4.227 -7.221 1.00 0.45 C ATOM 1762 O GLU A 103 14.792 3.001 -7.196 1.00 0.45 O ATOM 1763 CB GLU A 103 16.637 5.715 -7.709 1.00 0.50 C ATOM 1764 CG GLU A 103 16.103 7.026 -8.266 1.00 0.50 C ATOM 1765 CD GLU A 103 17.117 7.747 -9.130 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.140 8.212 -8.586 1.00 0.55 O ATOM 1767 OE2 GLU A 103 16.890 7.846 -10.356 1.00 0.56 O ATOM 0 H GLU A 103 17.517 4.138 -6.005 1.00 0.46 H new ATOM 0 HA GLU A 103 15.274 5.922 -6.060 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.641 5.879 -7.316 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.726 4.994 -8.522 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.206 6.829 -8.853 1.00 0.50 H new ATOM 0 HG3 GLU A 103 15.808 7.674 -7.441 1.00 0.50 H new ATOM 1774 N SER A 104 13.654 4.855 -7.774 1.00 0.43 N ATOM 1775 CA SER A 104 12.556 4.125 -8.398 1.00 0.42 C ATOM 1776 C SER A 104 13.037 3.352 -9.622 1.00 0.46 C ATOM 1777 O SER A 104 12.457 2.328 -9.987 1.00 0.45 O ATOM 1778 CB SER A 104 11.438 5.091 -8.798 1.00 0.41 C ATOM 1779 OG SER A 104 11.223 6.068 -7.794 1.00 0.39 O ATOM 0 H SER A 104 13.554 5.870 -7.803 1.00 0.43 H new ATOM 0 HA SER A 104 12.170 3.411 -7.671 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.695 5.581 -9.737 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.517 4.534 -8.971 1.00 0.41 H new ATOM 0 HG SER A 104 10.293 6.024 -7.489 1.00 0.39 H new ATOM 1785 N SER A 105 14.098 3.847 -10.250 1.00 0.49 N ATOM 1786 CA SER A 105 14.656 3.203 -11.434 1.00 0.53 C ATOM 1787 C SER A 105 15.572 2.046 -11.047 1.00 0.55 C ATOM 1788 O SER A 105 16.060 1.314 -11.908 1.00 0.58 O ATOM 1789 CB SER A 105 15.426 4.219 -12.278 1.00 0.56 C ATOM 1790 OG SER A 105 14.868 4.332 -13.576 1.00 0.58 O ATOM 0 H SER A 105 14.589 4.692 -9.959 1.00 0.49 H new ATOM 0 HA SER A 105 13.829 2.805 -12.022 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.410 5.192 -11.786 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.471 3.917 -12.353 1.00 0.56 H new ATOM 0 HG SER A 105 15.377 4.989 -14.095 1.00 0.58 H new ATOM 1796 N GLN A 106 15.802 1.892 -9.748 1.00 0.52 N ATOM 1797 CA GLN A 106 16.659 0.824 -9.244 1.00 0.54 C ATOM 1798 C GLN A 106 15.912 -0.039 -8.233 1.00 0.51 C ATOM 1799 O GLN A 106 16.508 -0.872 -7.552 1.00 0.52 O ATOM 1800 CB GLN A 106 17.918 1.411 -8.601 1.00 0.55 C ATOM 1801 CG GLN A 106 18.606 2.463 -9.455 1.00 0.58 C ATOM 1802 CD GLN A 106 20.031 2.733 -9.014 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.432 3.883 -8.836 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.807 1.668 -8.837 1.00 0.62 N ATOM 0 H GLN A 106 15.407 2.493 -9.024 1.00 0.52 H new ATOM 0 HA GLN A 106 16.950 0.197 -10.086 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.653 1.852 -7.640 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.622 0.604 -8.398 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.607 2.137 -10.495 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.035 3.390 -9.412 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.433 0.732 -8.996 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.776 1.787 -8.542 1.00 0.62 H new ATOM 1813 N ILE A 107 14.602 0.169 -8.143 1.00 0.48 N ATOM 1814 CA ILE A 107 13.770 -0.585 -7.215 1.00 0.45 C ATOM 1815 C ILE A 107 13.130 -1.793 -7.908 1.00 0.46 C ATOM 1816 O ILE A 107 12.415 -1.636 -8.899 1.00 0.46 O ATOM 1817 CB ILE A 107 12.663 0.310 -6.605 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.207 1.064 -5.390 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.440 -0.511 -6.215 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.414 2.306 -5.046 1.00 0.36 C ATOM 0 H ILE A 107 14.094 0.854 -8.703 1.00 0.48 H new ATOM 0 HA ILE A 107 14.417 -0.940 -6.413 1.00 0.45 H new ATOM 0 HB ILE A 107 12.354 1.030 -7.363 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.211 0.395 -4.529 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.243 1.345 -5.580 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.681 0.146 -5.790 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.037 -1.006 -7.099 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.725 -1.261 -5.477 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.856 2.790 -4.175 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.431 2.994 -5.891 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.383 2.030 -4.824 1.00 0.36 H new ATOM 1832 N PRO A 108 13.387 -3.018 -7.403 1.00 0.47 N ATOM 1833 CA PRO A 108 12.820 -4.244 -7.978 1.00 0.48 C ATOM 1834 C PRO A 108 11.303 -4.171 -8.110 1.00 0.45 C ATOM 1835 O PRO A 108 10.655 -3.313 -7.511 1.00 0.41 O ATOM 1836 CB PRO A 108 13.219 -5.329 -6.976 1.00 0.49 C ATOM 1837 CG PRO A 108 14.440 -4.798 -6.312 1.00 0.50 C ATOM 1838 CD PRO A 108 14.254 -3.308 -6.243 1.00 0.47 C ATOM 0 HA PRO A 108 13.186 -4.427 -8.988 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.424 -5.513 -6.254 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.420 -6.276 -7.477 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.560 -5.224 -5.316 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.336 -5.054 -6.878 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.787 -3.004 -5.306 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.206 -2.781 -6.311 1.00 0.47 H new ATOM 1846 N GLU A 109 10.742 -5.080 -8.901 1.00 0.47 N ATOM 1847 CA GLU A 109 9.300 -5.118 -9.125 1.00 0.44 C ATOM 1848 C GLU A 109 8.709 -6.446 -8.662 1.00 0.44 C ATOM 1849 O GLU A 109 7.552 -6.754 -8.950 1.00 0.43 O ATOM 1850 CB GLU A 109 8.985 -4.893 -10.605 1.00 0.46 C ATOM 1851 CG GLU A 109 9.835 -5.734 -11.544 1.00 0.51 C ATOM 1852 CD GLU A 109 9.331 -5.700 -12.974 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.335 -6.394 -13.269 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.932 -4.980 -13.799 1.00 0.55 O ATOM 0 H GLU A 109 11.264 -5.801 -9.398 1.00 0.47 H new ATOM 0 HA GLU A 109 8.847 -4.318 -8.539 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.933 -5.117 -10.782 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.131 -3.839 -10.843 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.864 -5.375 -11.517 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.848 -6.765 -11.191 1.00 0.51 H new ATOM 1861 N ASN A 110 9.512 -7.230 -7.949 1.00 0.46 N ATOM 1862 CA ASN A 110 9.071 -8.527 -7.445 1.00 0.48 C ATOM 1863 C ASN A 110 7.793 -8.389 -6.623 1.00 0.44 C ATOM 1864 O ASN A 110 7.747 -7.637 -5.650 1.00 0.41 O ATOM 1865 CB ASN A 110 10.171 -9.169 -6.595 1.00 0.50 C ATOM 1866 CG ASN A 110 10.191 -10.679 -6.721 1.00 0.54 C ATOM 1867 OD1 ASN A 110 9.296 -11.367 -6.230 1.00 0.53 O ATOM 1868 ND2 ASN A 110 11.216 -11.206 -7.381 1.00 0.58 N ATOM 0 H ASN A 110 10.473 -6.989 -7.707 1.00 0.46 H new ATOM 0 HA ASN A 110 8.862 -9.168 -8.302 1.00 0.48 H new ATOM 0 HB2 ASN A 110 11.139 -8.769 -6.896 1.00 0.50 H new ATOM 0 HB3 ASN A 110 10.025 -8.896 -5.550 1.00 0.50 H new ATOM 0 HD21 ASN A 110 11.283 -12.217 -7.496 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.937 -10.599 -7.772 1.00 0.58 H new ATOM 1875 N THR A 111 6.758 -9.121 -7.025 1.00 0.44 N ATOM 1876 CA THR A 111 5.477 -9.085 -6.332 1.00 0.41 C ATOM 1877 C THR A 111 5.427 -10.129 -5.215 1.00 0.42 C ATOM 1878 O THR A 111 5.436 -11.330 -5.485 1.00 0.45 O ATOM 1879 CB THR A 111 4.308 -9.338 -7.303 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.811 -9.632 -8.611 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.388 -8.128 -7.368 1.00 0.36 C ATOM 0 H THR A 111 6.783 -9.747 -7.830 1.00 0.44 H new ATOM 0 HA THR A 111 5.377 -8.088 -5.902 1.00 0.41 H new ATOM 0 HB THR A 111 3.737 -10.190 -6.935 1.00 0.40 H new ATOM 0 HG1 THR A 111 4.061 -9.793 -9.221 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.570 -8.330 -8.060 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.983 -7.925 -6.377 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.951 -7.261 -7.714 1.00 0.36 H new ATOM 1889 N PRO A 112 5.377 -9.688 -3.941 1.00 0.40 N ATOM 1890 CA PRO A 112 5.327 -10.602 -2.792 1.00 0.42 C ATOM 1891 C PRO A 112 4.140 -11.556 -2.860 1.00 0.43 C ATOM 1892 O PRO A 112 3.035 -11.165 -3.234 1.00 0.40 O ATOM 1893 CB PRO A 112 5.188 -9.663 -1.590 1.00 0.38 C ATOM 1894 CG PRO A 112 5.726 -8.358 -2.063 1.00 0.36 C ATOM 1895 CD PRO A 112 5.369 -8.274 -3.518 1.00 0.36 C ATOM 0 HA PRO A 112 6.207 -11.244 -2.748 1.00 0.42 H new ATOM 0 HB2 PRO A 112 4.148 -9.572 -1.277 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.748 -10.034 -0.731 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.290 -7.530 -1.505 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.805 -8.305 -1.921 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.393 -7.813 -3.669 1.00 0.36 H new ATOM 0 HD3 PRO A 112 6.092 -7.681 -4.078 1.00 0.36 H new ATOM 1903 N THR A 113 4.379 -12.812 -2.494 1.00 0.46 N ATOM 1904 CA THR A 113 3.333 -13.828 -2.511 1.00 0.48 C ATOM 1905 C THR A 113 3.605 -14.913 -1.474 1.00 0.51 C ATOM 1906 O THR A 113 4.672 -15.528 -1.470 1.00 0.54 O ATOM 1907 CB THR A 113 3.207 -14.484 -3.900 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.980 -13.754 -4.859 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.754 -14.532 -4.346 1.00 0.49 C ATOM 0 H THR A 113 5.289 -13.150 -2.182 1.00 0.46 H new ATOM 0 HA THR A 113 2.398 -13.322 -2.270 1.00 0.48 H new ATOM 0 HB THR A 113 3.584 -15.504 -3.830 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.896 -14.178 -5.738 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.690 -14.999 -5.329 1.00 0.49 H new ATOM 0 HG22 THR A 113 1.173 -15.113 -3.630 1.00 0.49 H new ATOM 0 HG23 THR A 113 1.356 -13.519 -4.399 1.00 0.49 H new ATOM 1917 N ALA A 114 2.632 -15.143 -0.595 1.00 0.51 N ATOM 1918 CA ALA A 114 2.767 -16.153 0.450 1.00 0.54 C ATOM 1919 C ALA A 114 2.858 -17.553 -0.148 1.00 0.58 C ATOM 1920 O ALA A 114 2.535 -17.760 -1.317 1.00 0.58 O ATOM 1921 CB ALA A 114 1.598 -16.066 1.420 1.00 0.53 C ATOM 0 H ALA A 114 1.743 -14.644 -0.586 1.00 0.51 H new ATOM 0 HA ALA A 114 3.692 -15.958 0.993 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.711 -16.825 2.195 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.580 -15.078 1.880 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.665 -16.233 0.881 1.00 0.53 H new ATOM 1927 N ARG A 115 3.302 -18.509 0.664 1.00 0.61 N ATOM 1928 CA ARG A 115 3.436 -19.890 0.215 1.00 0.65 C ATOM 1929 C ARG A 115 2.127 -20.652 0.395 1.00 0.66 C ATOM 1930 O ARG A 115 1.432 -20.480 1.396 1.00 0.66 O ATOM 1931 CB ARG A 115 4.559 -20.595 0.983 1.00 0.69 C ATOM 1932 CG ARG A 115 4.448 -20.454 2.492 1.00 0.69 C ATOM 1933 CD ARG A 115 5.673 -21.016 3.194 1.00 0.72 C ATOM 1934 NE ARG A 115 6.911 -20.428 2.691 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.970 -21.142 2.318 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.946 -22.465 2.401 1.00 0.78 N ATOM 1937 NH2 ARG A 115 9.055 -20.530 1.861 1.00 0.73 N ATOM 0 H ARG A 115 3.574 -18.352 1.634 1.00 0.61 H new ATOM 0 HA ARG A 115 3.685 -19.875 -0.846 1.00 0.65 H new ATOM 0 HB2 ARG A 115 4.555 -21.654 0.724 1.00 0.69 H new ATOM 0 HB3 ARG A 115 5.518 -20.191 0.659 1.00 0.69 H new ATOM 0 HG2 ARG A 115 4.328 -19.402 2.753 1.00 0.69 H new ATOM 0 HG3 ARG A 115 3.556 -20.973 2.843 1.00 0.69 H new ATOM 0 HD2 ARG A 115 5.593 -20.831 4.265 1.00 0.72 H new ATOM 0 HD3 ARG A 115 5.704 -22.097 3.058 1.00 0.72 H new ATOM 0 HE ARG A 115 6.967 -19.412 2.622 1.00 0.71 H new ATOM 0 HH11 ARG A 115 7.114 -22.939 2.752 1.00 0.78 H new ATOM 0 HH12 ARG A 115 8.760 -23.009 2.114 1.00 0.78 H new ATOM 0 HH21 ARG A 115 9.077 -19.512 1.796 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.867 -21.077 1.575 1.00 0.73 H new ATOM 1951 N ARG A 116 1.800 -21.491 -0.581 1.00 0.68 N ATOM 1952 CA ARG A 116 0.574 -22.282 -0.535 1.00 0.70 C ATOM 1953 C ARG A 116 0.892 -23.767 -0.397 1.00 0.74 C ATOM 1954 O ARG A 116 1.924 -24.238 -0.877 1.00 0.77 O ATOM 1955 CB ARG A 116 -0.261 -22.040 -1.794 1.00 0.68 C ATOM 1956 CG ARG A 116 -0.990 -20.708 -1.794 1.00 0.64 C ATOM 1957 CD ARG A 116 -1.911 -20.579 -2.995 1.00 0.63 C ATOM 1958 NE ARG A 116 -1.399 -19.630 -3.980 1.00 0.60 N ATOM 1959 CZ ARG A 116 -1.434 -18.310 -3.824 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -1.956 -17.782 -2.723 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -0.948 -17.516 -4.767 1.00 0.55 N ATOM 0 H ARG A 116 2.367 -21.642 -1.415 1.00 0.68 H new ATOM 0 HA ARG A 116 0.000 -21.969 0.337 1.00 0.70 H new ATOM 0 HB2 ARG A 116 0.390 -22.088 -2.667 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -0.990 -22.844 -1.896 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -1.570 -20.609 -0.877 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -0.264 -19.895 -1.801 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.035 -21.556 -3.463 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -2.898 -20.258 -2.662 1.00 0.63 H new ATOM 0 HE ARG A 116 -0.991 -20.002 -4.838 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -2.331 -18.389 -1.995 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -1.982 -16.769 -2.606 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -0.546 -17.917 -5.614 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -0.976 -16.504 -4.646 1.00 0.55 H new ATOM 1975 N ARG A 117 -0.004 -24.501 0.259 1.00 0.76 N ATOM 1976 CA ARG A 117 0.180 -25.934 0.457 1.00 0.80 C ATOM 1977 C ARG A 117 -0.194 -26.711 -0.800 1.00 0.82 C ATOM 1978 O ARG A 117 0.620 -27.580 -1.204 1.00 0.85 O ATOM 1979 CB ARG A 117 -0.662 -26.418 1.640 1.00 0.82 C ATOM 1980 CG ARG A 117 -0.571 -25.519 2.862 1.00 0.80 C ATOM 1981 CD ARG A 117 -1.461 -26.019 3.987 1.00 0.81 C ATOM 1982 NE ARG A 117 -2.800 -25.440 3.921 1.00 0.79 N ATOM 1983 CZ ARG A 117 -3.783 -25.750 4.763 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -3.578 -26.633 5.732 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -4.971 -25.177 4.635 1.00 0.79 N ATOM 1986 OXT ARG A 117 -1.272 -26.451 -1.428 1.00 0.81 O ATOM 0 H ARG A 117 -0.863 -24.126 0.661 1.00 0.76 H new ATOM 0 HA ARG A 117 1.234 -26.113 0.671 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -1.704 -26.488 1.328 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -0.343 -27.423 1.915 1.00 0.82 H new ATOM 0 HG2 ARG A 117 0.462 -25.474 3.206 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -0.861 -24.504 2.591 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -1.533 -27.106 3.938 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.006 -25.773 4.946 1.00 0.81 H new ATOM 0 HE ARG A 117 -2.993 -24.758 3.187 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -2.665 -27.076 5.833 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -4.333 -26.868 6.376 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.132 -24.498 3.891 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -5.724 -25.415 5.280 1.00 0.79 H new TER 2000 ARG A 117