USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 66 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc=-0.00451 F(o=-1.1,f=-0.0045) USER MOD Single : A 23 CYS SG : rot 57:sc= -5.29! USER MOD Single : A 24 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.3) USER MOD Single : A 25 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 36 GLN : amide:sc= -4.44! C(o=-4.4!,f=-14!) USER MOD Single : A 37 ASN : amide:sc=-0.00332 X(o=-0.0033,f=-0.057) USER MOD Single : A 39 MET CE :methyl 149:sc= -4.34! (180deg=-6.37!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.44) USER MOD Single : A 45 GLN : amide:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.8!) USER MOD Single : A 52 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.0036) USER MOD Single : A 56 SER OG : rot 63:sc= 0.403 USER MOD Single : A 57 MET CE :methyl -149:sc= -2.07 (180deg=-3.27!) USER MOD Single : A 59 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -119:sc= 0.253 (180deg=0) USER MOD Single : A 76 SER OG : rot 46:sc= 1.02 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.956 -14.259 14.893 1.00 0.00 N ATOM 2 CA GLY A 1 5.468 -13.952 13.568 1.00 0.00 C ATOM 3 C GLY A 1 5.969 -12.508 13.495 1.00 0.00 C ATOM 4 O GLY A 1 6.892 -12.130 14.215 1.00 0.00 O ATOM 0 H1 GLY A 1 4.622 -15.244 14.917 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.713 -14.133 15.595 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.166 -13.620 15.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.280 -14.635 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.684 -14.107 12.826 1.00 0.00 H new ATOM 8 N SER A 2 5.338 -11.740 12.618 1.00 0.00 N ATOM 9 CA SER A 2 5.709 -10.346 12.442 1.00 0.00 C ATOM 10 C SER A 2 4.493 -9.535 11.989 1.00 0.00 C ATOM 11 O SER A 2 4.120 -9.570 10.817 1.00 0.00 O ATOM 12 CB SER A 2 6.848 -10.203 11.431 1.00 0.00 C ATOM 13 OG SER A 2 7.530 -8.960 11.568 1.00 0.00 O ATOM 0 H SER A 2 4.573 -12.057 12.022 1.00 0.00 H new ATOM 0 HA SER A 2 6.059 -9.961 13.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.556 -11.021 11.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.449 -10.288 10.420 1.00 0.00 H new ATOM 0 HG SER A 2 8.251 -8.908 10.906 1.00 0.00 H new ATOM 19 N SER A 3 3.908 -8.824 12.942 1.00 0.00 N ATOM 20 CA SER A 3 2.742 -8.006 12.656 1.00 0.00 C ATOM 21 C SER A 3 3.168 -6.715 11.954 1.00 0.00 C ATOM 22 O SER A 3 2.708 -6.423 10.851 1.00 0.00 O ATOM 23 CB SER A 3 1.968 -7.684 13.936 1.00 0.00 C ATOM 24 OG SER A 3 0.558 -7.717 13.731 1.00 0.00 O ATOM 0 H SER A 3 4.220 -8.798 13.913 1.00 0.00 H new ATOM 0 HA SER A 3 2.082 -8.570 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.238 -8.400 14.712 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.259 -6.697 14.297 1.00 0.00 H new ATOM 0 HG SER A 3 0.100 -7.508 14.572 1.00 0.00 H new ATOM 30 N GLY A 4 4.042 -5.977 12.622 1.00 0.00 N ATOM 31 CA GLY A 4 4.535 -4.724 12.076 1.00 0.00 C ATOM 32 C GLY A 4 4.079 -3.537 12.928 1.00 0.00 C ATOM 33 O GLY A 4 2.885 -3.261 13.025 1.00 0.00 O ATOM 0 H GLY A 4 4.422 -6.223 13.536 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.624 -4.746 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.176 -4.602 11.054 1.00 0.00 H new ATOM 37 N SER A 5 5.055 -2.868 13.523 1.00 0.00 N ATOM 38 CA SER A 5 4.769 -1.717 14.363 1.00 0.00 C ATOM 39 C SER A 5 3.935 -0.697 13.587 1.00 0.00 C ATOM 40 O SER A 5 2.972 -0.145 14.118 1.00 0.00 O ATOM 41 CB SER A 5 6.060 -1.072 14.871 1.00 0.00 C ATOM 42 OG SER A 5 6.527 -1.682 16.071 1.00 0.00 O ATOM 0 H SER A 5 6.045 -3.101 13.440 1.00 0.00 H new ATOM 0 HA SER A 5 4.200 -2.058 15.228 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.830 -1.148 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.889 -0.010 15.047 1.00 0.00 H new ATOM 0 HG SER A 5 7.354 -1.243 16.361 1.00 0.00 H new ATOM 48 N SER A 6 4.334 -0.477 12.343 1.00 0.00 N ATOM 49 CA SER A 6 3.635 0.467 11.488 1.00 0.00 C ATOM 50 C SER A 6 3.584 1.841 12.159 1.00 0.00 C ATOM 51 O SER A 6 4.468 2.671 11.950 1.00 0.00 O ATOM 52 CB SER A 6 2.220 -0.021 11.170 1.00 0.00 C ATOM 53 OG SER A 6 2.146 -0.648 9.893 1.00 0.00 O ATOM 0 H SER A 6 5.133 -0.937 11.906 1.00 0.00 H new ATOM 0 HA SER A 6 4.182 0.548 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.898 -0.724 11.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.530 0.822 11.200 1.00 0.00 H new ATOM 0 HG SER A 6 1.227 -0.947 9.728 1.00 0.00 H new ATOM 59 N GLY A 7 2.540 2.040 12.951 1.00 0.00 N ATOM 60 CA GLY A 7 2.362 3.299 13.654 1.00 0.00 C ATOM 61 C GLY A 7 0.967 3.874 13.404 1.00 0.00 C ATOM 62 O GLY A 7 0.172 3.288 12.670 1.00 0.00 O ATOM 0 H GLY A 7 1.809 1.350 13.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.510 3.147 14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.118 4.013 13.326 1.00 0.00 H new ATOM 66 N PRO A 8 0.705 5.045 14.044 1.00 0.00 N ATOM 67 CA PRO A 8 -0.581 5.706 13.898 1.00 0.00 C ATOM 68 C PRO A 8 -0.696 6.387 12.533 1.00 0.00 C ATOM 69 O PRO A 8 -0.533 7.601 12.425 1.00 0.00 O ATOM 70 CB PRO A 8 -0.654 6.685 15.058 1.00 0.00 C ATOM 71 CG PRO A 8 0.777 6.870 15.538 1.00 0.00 C ATOM 72 CD PRO A 8 1.622 5.768 14.920 1.00 0.00 C ATOM 0 HA PRO A 8 -1.418 5.009 13.929 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.086 7.634 14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.287 6.298 15.857 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.154 7.850 15.245 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.824 6.822 16.626 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.462 6.180 14.361 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.039 5.113 15.685 1.00 0.00 H new ATOM 80 N ASP A 9 -0.976 5.575 11.524 1.00 0.00 N ATOM 81 CA ASP A 9 -1.114 6.083 10.170 1.00 0.00 C ATOM 82 C ASP A 9 -2.291 5.385 9.485 1.00 0.00 C ATOM 83 O ASP A 9 -3.268 5.024 10.139 1.00 0.00 O ATOM 84 CB ASP A 9 0.145 5.806 9.346 1.00 0.00 C ATOM 85 CG ASP A 9 1.456 5.857 10.132 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.595 6.796 10.944 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.290 4.955 9.902 1.00 0.00 O ATOM 0 H ASP A 9 -1.111 4.568 11.617 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.276 7.159 10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.052 4.821 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.197 6.532 8.534 1.00 0.00 H new ATOM 92 N ALA A 10 -2.158 5.216 8.178 1.00 0.00 N ATOM 93 CA ALA A 10 -3.198 4.568 7.398 1.00 0.00 C ATOM 94 C ALA A 10 -3.284 3.093 7.797 1.00 0.00 C ATOM 95 O ALA A 10 -2.394 2.307 7.476 1.00 0.00 O ATOM 96 CB ALA A 10 -2.908 4.752 5.907 1.00 0.00 C ATOM 0 H ALA A 10 -1.346 5.517 7.639 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.168 5.022 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.688 4.266 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.886 5.816 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.943 4.306 5.666 1.00 0.00 H new ATOM 102 N ASP A 11 -4.364 2.763 8.490 1.00 0.00 N ATOM 103 CA ASP A 11 -4.578 1.397 8.936 1.00 0.00 C ATOM 104 C ASP A 11 -4.219 0.433 7.803 1.00 0.00 C ATOM 105 O ASP A 11 -4.139 0.834 6.643 1.00 0.00 O ATOM 106 CB ASP A 11 -6.043 1.162 9.309 1.00 0.00 C ATOM 107 CG ASP A 11 -6.283 0.766 10.767 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.461 1.183 11.611 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.284 0.056 11.005 1.00 0.00 O ATOM 0 H ASP A 11 -5.100 3.418 8.753 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.951 1.226 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.606 2.071 9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.445 0.380 8.665 1.00 0.00 H new ATOM 114 N PRO A 12 -4.006 -0.854 8.189 1.00 0.00 N ATOM 115 CA PRO A 12 -3.657 -1.878 7.219 1.00 0.00 C ATOM 116 C PRO A 12 -4.878 -2.291 6.395 1.00 0.00 C ATOM 117 O PRO A 12 -4.895 -2.121 5.176 1.00 0.00 O ATOM 118 CB PRO A 12 -3.083 -3.020 8.042 1.00 0.00 C ATOM 119 CG PRO A 12 -3.557 -2.786 9.467 1.00 0.00 C ATOM 120 CD PRO A 12 -4.092 -1.366 9.554 1.00 0.00 C ATOM 0 HA PRO A 12 -2.932 -1.531 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.430 -3.983 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.994 -3.031 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.333 -3.503 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.736 -2.928 10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.119 -1.351 9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.501 -0.761 10.242 1.00 0.00 H new ATOM 128 N VAL A 13 -5.870 -2.825 7.092 1.00 0.00 N ATOM 129 CA VAL A 13 -7.092 -3.263 6.439 1.00 0.00 C ATOM 130 C VAL A 13 -7.536 -2.201 5.431 1.00 0.00 C ATOM 131 O VAL A 13 -7.780 -2.510 4.266 1.00 0.00 O ATOM 132 CB VAL A 13 -8.162 -3.576 7.487 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.366 -2.391 8.433 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.479 -3.981 6.823 1.00 0.00 C ATOM 0 H VAL A 13 -5.853 -2.964 8.102 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.919 -4.185 5.885 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.813 -4.421 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.132 -2.640 9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.430 -2.169 8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.682 -1.519 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.222 -4.198 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.835 -3.165 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.320 -4.869 6.211 1.00 0.00 H new ATOM 144 N GLU A 14 -7.627 -0.972 5.916 1.00 0.00 N ATOM 145 CA GLU A 14 -8.037 0.137 5.072 1.00 0.00 C ATOM 146 C GLU A 14 -7.271 0.108 3.748 1.00 0.00 C ATOM 147 O GLU A 14 -7.876 0.070 2.677 1.00 0.00 O ATOM 148 CB GLU A 14 -7.840 1.474 5.789 1.00 0.00 C ATOM 149 CG GLU A 14 -9.146 2.270 5.834 1.00 0.00 C ATOM 150 CD GLU A 14 -9.331 3.093 4.557 1.00 0.00 C ATOM 151 OE1 GLU A 14 -8.884 2.603 3.497 1.00 0.00 O ATOM 152 OE2 GLU A 14 -9.914 4.192 4.670 1.00 0.00 O ATOM 0 H GLU A 14 -7.424 -0.720 6.883 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.100 0.030 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.483 1.297 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.073 2.055 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.988 1.588 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.143 2.932 6.700 1.00 0.00 H new ATOM 159 N ILE A 15 -5.951 0.127 3.864 1.00 0.00 N ATOM 160 CA ILE A 15 -5.097 0.103 2.689 1.00 0.00 C ATOM 161 C ILE A 15 -5.548 -1.024 1.758 1.00 0.00 C ATOM 162 O ILE A 15 -5.887 -0.781 0.601 1.00 0.00 O ATOM 163 CB ILE A 15 -3.626 0.011 3.098 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.218 1.212 3.954 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.724 -0.152 1.873 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.037 0.864 4.862 1.00 0.00 C ATOM 0 H ILE A 15 -5.453 0.159 4.753 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.191 1.034 2.131 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.499 -0.880 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.951 2.049 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.064 1.535 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.684 -0.215 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.995 -1.063 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.849 0.706 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.768 1.735 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.316 0.043 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.185 0.565 4.252 1.00 0.00 H new ATOM 178 N GLU A 16 -5.538 -2.234 2.298 1.00 0.00 N ATOM 179 CA GLU A 16 -5.941 -3.400 1.531 1.00 0.00 C ATOM 180 C GLU A 16 -7.302 -3.158 0.874 1.00 0.00 C ATOM 181 O GLU A 16 -7.421 -3.205 -0.350 1.00 0.00 O ATOM 182 CB GLU A 16 -5.972 -4.652 2.410 1.00 0.00 C ATOM 183 CG GLU A 16 -4.629 -4.863 3.111 1.00 0.00 C ATOM 184 CD GLU A 16 -4.533 -6.271 3.701 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.203 -7.167 3.142 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.793 -6.421 4.697 1.00 0.00 O ATOM 0 H GLU A 16 -5.257 -2.432 3.258 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.204 -3.566 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.764 -4.559 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.209 -5.524 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.816 -4.706 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.508 -4.124 3.903 1.00 0.00 H new ATOM 193 N ASN A 17 -8.293 -2.903 1.715 1.00 0.00 N ATOM 194 CA ASN A 17 -9.640 -2.653 1.232 1.00 0.00 C ATOM 195 C ASN A 17 -9.573 -1.781 -0.024 1.00 0.00 C ATOM 196 O ASN A 17 -10.171 -2.112 -1.046 1.00 0.00 O ATOM 197 CB ASN A 17 -10.473 -1.911 2.279 1.00 0.00 C ATOM 198 CG ASN A 17 -11.535 -2.830 2.886 1.00 0.00 C ATOM 199 OD1 ASN A 17 -11.171 -3.394 4.034 1.00 0.00 O flip ATOM 200 ND2 ASN A 17 -12.614 -3.014 2.347 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.190 -2.864 2.729 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.105 -3.615 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.821 -1.533 3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.954 -1.047 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.829 -2.549 1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.301 -3.633 2.778 1.00 0.00 H new ATOM 207 N ARG A 18 -8.840 -0.684 0.096 1.00 0.00 N ATOM 208 CA ARG A 18 -8.687 0.238 -1.017 1.00 0.00 C ATOM 209 C ARG A 18 -8.366 -0.528 -2.301 1.00 0.00 C ATOM 210 O ARG A 18 -9.008 -0.320 -3.330 1.00 0.00 O ATOM 211 CB ARG A 18 -7.574 1.251 -0.743 1.00 0.00 C ATOM 212 CG ARG A 18 -8.117 2.681 -0.758 1.00 0.00 C ATOM 213 CD ARG A 18 -8.892 2.960 -2.048 1.00 0.00 C ATOM 214 NE ARG A 18 -8.864 4.408 -2.352 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.627 5.320 -1.733 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.480 4.940 -0.773 1.00 0.00 N ATOM 217 NH2 ARG A 18 -9.535 6.613 -2.074 1.00 0.00 N ATOM 0 H ARG A 18 -8.346 -0.413 0.946 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.629 0.773 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.117 1.042 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.791 1.148 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.768 2.836 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.293 3.388 -0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.455 2.398 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.923 2.622 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.225 4.732 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.549 3.956 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.060 5.634 -0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.885 6.903 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.115 7.307 -1.603 1.00 0.00 H new ATOM 231 N ILE A 19 -7.372 -1.399 -2.200 1.00 0.00 N ATOM 232 CA ILE A 19 -6.958 -2.197 -3.341 1.00 0.00 C ATOM 233 C ILE A 19 -8.152 -3.005 -3.853 1.00 0.00 C ATOM 234 O ILE A 19 -8.360 -3.114 -5.061 1.00 0.00 O ATOM 235 CB ILE A 19 -5.743 -3.055 -2.982 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.510 -2.184 -2.736 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.488 -4.120 -4.051 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.576 -2.832 -1.711 1.00 0.00 C ATOM 0 H ILE A 19 -6.842 -1.569 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.634 -1.553 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.959 -3.579 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.976 -2.030 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.820 -1.201 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.619 -4.716 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.361 -4.768 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.302 -3.636 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.707 -2.192 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.106 -2.962 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.249 -3.804 -2.080 1.00 0.00 H new ATOM 250 N ILE A 20 -8.904 -3.551 -2.909 1.00 0.00 N ATOM 251 CA ILE A 20 -10.072 -4.346 -3.250 1.00 0.00 C ATOM 252 C ILE A 20 -11.024 -3.507 -4.105 1.00 0.00 C ATOM 253 O ILE A 20 -11.470 -3.951 -5.161 1.00 0.00 O ATOM 254 CB ILE A 20 -10.721 -4.914 -1.986 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.695 -5.664 -1.133 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.926 -5.789 -2.334 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.802 -6.551 -2.003 1.00 0.00 C ATOM 0 H ILE A 20 -8.728 -3.459 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.783 -5.210 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.090 -4.081 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.081 -4.950 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.210 -6.276 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.368 -6.180 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.666 -5.193 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.604 -6.618 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.082 -7.073 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.417 -7.280 -2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.270 -5.933 -2.727 1.00 0.00 H new ATOM 269 N GLU A 21 -11.306 -2.308 -3.616 1.00 0.00 N ATOM 270 CA GLU A 21 -12.196 -1.403 -4.322 1.00 0.00 C ATOM 271 C GLU A 21 -11.698 -1.176 -5.751 1.00 0.00 C ATOM 272 O GLU A 21 -12.497 -1.028 -6.674 1.00 0.00 O ATOM 273 CB GLU A 21 -12.336 -0.076 -3.573 1.00 0.00 C ATOM 274 CG GLU A 21 -13.272 -0.221 -2.371 1.00 0.00 C ATOM 275 CD GLU A 21 -14.732 -0.023 -2.786 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.254 -0.928 -3.472 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.292 1.028 -2.408 1.00 0.00 O ATOM 0 H GLU A 21 -10.934 -1.943 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.184 -1.861 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.356 0.261 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.721 0.688 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.147 -1.208 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.005 0.509 -1.607 1.00 0.00 H new ATOM 284 N LEU A 22 -10.381 -1.155 -5.888 1.00 0.00 N ATOM 285 CA LEU A 22 -9.767 -0.948 -7.189 1.00 0.00 C ATOM 286 C LEU A 22 -9.884 -2.232 -8.013 1.00 0.00 C ATOM 287 O LEU A 22 -10.441 -2.221 -9.110 1.00 0.00 O ATOM 288 CB LEU A 22 -8.329 -0.449 -7.029 1.00 0.00 C ATOM 289 CG LEU A 22 -8.121 1.058 -7.188 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.383 1.640 -5.981 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.409 1.378 -8.504 1.00 0.00 C ATOM 0 H LEU A 22 -9.721 -1.278 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.292 -0.167 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.971 -0.743 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.704 -0.961 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.100 1.535 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.248 2.713 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.966 1.461 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.409 1.161 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.274 2.456 -8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.436 0.888 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.010 1.019 -9.339 1.00 0.00 H new ATOM 303 N CYS A 23 -9.351 -3.308 -7.453 1.00 0.00 N ATOM 304 CA CYS A 23 -9.389 -4.597 -8.123 1.00 0.00 C ATOM 305 C CYS A 23 -10.793 -4.799 -8.695 1.00 0.00 C ATOM 306 O CYS A 23 -10.963 -5.479 -9.706 1.00 0.00 O ATOM 307 CB CYS A 23 -8.986 -5.734 -7.182 1.00 0.00 C ATOM 308 SG CYS A 23 -7.329 -5.407 -6.478 1.00 0.00 S ATOM 0 H CYS A 23 -8.890 -3.314 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.662 -4.611 -8.935 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.718 -5.830 -6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.980 -6.680 -7.723 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.334 -4.257 -5.872 1.00 0.00 H new ATOM 314 N HIS A 24 -11.764 -4.197 -8.024 1.00 0.00 N ATOM 315 CA HIS A 24 -13.148 -4.303 -8.453 1.00 0.00 C ATOM 316 C HIS A 24 -13.402 -3.335 -9.610 1.00 0.00 C ATOM 317 O HIS A 24 -14.022 -3.702 -10.607 1.00 0.00 O ATOM 318 CB HIS A 24 -14.100 -4.083 -7.276 1.00 0.00 C ATOM 319 CG HIS A 24 -14.558 -5.359 -6.610 1.00 0.00 C ATOM 320 ND1 HIS A 24 -15.156 -6.395 -7.307 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.500 -5.755 -5.306 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.441 -7.365 -6.451 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.034 -6.966 -5.211 1.00 0.00 N ATOM 0 H HIS A 24 -11.619 -3.634 -7.186 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.343 -5.311 -8.819 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.606 -3.455 -6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.974 -3.534 -7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.089 -5.180 -4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.913 -8.306 -6.692 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.125 -7.509 -4.353 1.00 0.00 H new ATOM 331 N GLN A 25 -12.910 -2.116 -9.438 1.00 0.00 N ATOM 332 CA GLN A 25 -13.076 -1.092 -10.456 1.00 0.00 C ATOM 333 C GLN A 25 -12.380 -1.514 -11.752 1.00 0.00 C ATOM 334 O GLN A 25 -12.810 -1.139 -12.842 1.00 0.00 O ATOM 335 CB GLN A 25 -12.550 0.258 -9.966 1.00 0.00 C ATOM 336 CG GLN A 25 -13.692 1.141 -9.461 1.00 0.00 C ATOM 337 CD GLN A 25 -14.597 1.579 -10.615 1.00 0.00 C ATOM 338 OE1 GLN A 25 -15.756 1.209 -10.703 1.00 0.00 O ATOM 339 NE2 GLN A 25 -14.005 2.386 -11.491 1.00 0.00 N ATOM 0 H GLN A 25 -12.397 -1.815 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.141 -0.978 -10.659 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.826 0.102 -9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.026 0.764 -10.777 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.278 0.596 -8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.284 2.019 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.031 2.657 -11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.525 2.734 -12.296 1.00 0.00 H new ATOM 348 N PHE A 26 -11.318 -2.289 -11.591 1.00 0.00 N ATOM 349 CA PHE A 26 -10.559 -2.765 -12.734 1.00 0.00 C ATOM 350 C PHE A 26 -10.468 -4.293 -12.734 1.00 0.00 C ATOM 351 O PHE A 26 -9.699 -4.872 -11.969 1.00 0.00 O ATOM 352 CB PHE A 26 -9.149 -2.183 -12.610 1.00 0.00 C ATOM 353 CG PHE A 26 -9.114 -0.657 -12.495 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.401 -0.058 -11.308 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.797 0.099 -13.580 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.368 1.357 -11.201 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.764 1.515 -13.473 1.00 0.00 C ATOM 358 CZ PHE A 26 -9.051 2.114 -12.286 1.00 0.00 C ATOM 0 H PHE A 26 -10.965 -2.599 -10.686 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.047 -2.456 -13.658 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.665 -2.614 -11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.564 -2.485 -13.479 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.654 -0.659 -10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.570 -0.377 -14.523 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.595 1.833 -10.258 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.511 2.116 -14.334 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.027 3.191 -12.205 1.00 0.00 H new ATOM 368 N PRO A 27 -11.286 -4.917 -13.624 1.00 0.00 N ATOM 369 CA PRO A 27 -11.305 -6.366 -13.733 1.00 0.00 C ATOM 370 C PRO A 27 -10.062 -6.877 -14.464 1.00 0.00 C ATOM 371 O PRO A 27 -9.628 -8.006 -14.242 1.00 0.00 O ATOM 372 CB PRO A 27 -12.598 -6.687 -14.464 1.00 0.00 C ATOM 373 CG PRO A 27 -13.025 -5.397 -15.145 1.00 0.00 C ATOM 374 CD PRO A 27 -12.210 -4.263 -14.545 1.00 0.00 C ATOM 0 HA PRO A 27 -11.277 -6.862 -12.763 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.447 -7.482 -15.194 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.363 -7.034 -13.769 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.859 -5.460 -16.220 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.091 -5.221 -14.997 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.675 -3.709 -15.316 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.848 -3.549 -14.025 1.00 0.00 H new ATOM 382 N HIS A 28 -9.525 -6.021 -15.321 1.00 0.00 N ATOM 383 CA HIS A 28 -8.341 -6.372 -16.086 1.00 0.00 C ATOM 384 C HIS A 28 -7.128 -6.436 -15.155 1.00 0.00 C ATOM 385 O HIS A 28 -6.297 -7.335 -15.273 1.00 0.00 O ATOM 386 CB HIS A 28 -8.141 -5.404 -17.254 1.00 0.00 C ATOM 387 CG HIS A 28 -9.327 -5.311 -18.184 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.732 -6.362 -18.989 1.00 0.00 N ATOM 389 CD2 HIS A 28 -10.190 -4.284 -18.429 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.791 -5.973 -19.683 1.00 0.00 C ATOM 391 NE2 HIS A 28 -11.073 -4.684 -19.335 1.00 0.00 N ATOM 0 H HIS A 28 -9.888 -5.085 -15.502 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.470 -7.360 -16.527 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.924 -4.412 -16.857 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.267 -5.716 -17.826 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.160 -3.310 -17.964 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.336 -6.571 -20.399 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.837 -4.121 -19.710 1.00 0.00 H new ATOM 399 N GLY A 29 -7.066 -5.470 -14.250 1.00 0.00 N ATOM 400 CA GLY A 29 -5.970 -5.405 -13.299 1.00 0.00 C ATOM 401 C GLY A 29 -5.488 -3.964 -13.115 1.00 0.00 C ATOM 402 O GLY A 29 -5.914 -3.066 -13.840 1.00 0.00 O ATOM 0 H GLY A 29 -7.757 -4.726 -14.156 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.292 -5.810 -12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.145 -6.027 -13.647 1.00 0.00 H new ATOM 406 N ILE A 30 -4.607 -3.788 -12.141 1.00 0.00 N ATOM 407 CA ILE A 30 -4.063 -2.472 -11.853 1.00 0.00 C ATOM 408 C ILE A 30 -2.547 -2.579 -11.678 1.00 0.00 C ATOM 409 O ILE A 30 -2.017 -3.670 -11.476 1.00 0.00 O ATOM 410 CB ILE A 30 -4.779 -1.848 -10.653 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.427 -2.586 -9.360 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.290 -1.788 -10.886 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.185 -1.997 -8.169 1.00 0.00 C ATOM 0 H ILE A 30 -4.256 -4.535 -11.541 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.240 -1.795 -12.688 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.430 -0.821 -10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.670 -3.644 -9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.354 -2.521 -9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.774 -1.340 -10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.498 -1.184 -11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.675 -2.796 -11.037 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.917 -2.540 -7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.921 -0.946 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.258 -2.085 -8.341 1.00 0.00 H new ATOM 425 N THR A 31 -1.892 -1.430 -11.761 1.00 0.00 N ATOM 426 CA THR A 31 -0.447 -1.381 -11.614 1.00 0.00 C ATOM 427 C THR A 31 -0.063 -0.539 -10.395 1.00 0.00 C ATOM 428 O THR A 31 -0.761 0.413 -10.049 1.00 0.00 O ATOM 429 CB THR A 31 0.144 -0.857 -12.925 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.362 0.471 -13.027 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.429 -1.569 -14.151 1.00 0.00 C ATOM 0 H THR A 31 -2.335 -0.527 -11.928 1.00 0.00 H new ATOM 0 HA THR A 31 -0.034 -2.373 -11.428 1.00 0.00 H new ATOM 0 HB THR A 31 1.227 -0.977 -12.909 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.027 0.887 -13.849 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.024 -1.160 -15.054 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.211 -2.635 -14.087 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.508 -1.421 -14.187 1.00 0.00 H new ATOM 439 N ASP A 32 1.045 -0.921 -9.778 1.00 0.00 N ATOM 440 CA ASP A 32 1.530 -0.213 -8.605 1.00 0.00 C ATOM 441 C ASP A 32 1.349 1.292 -8.812 1.00 0.00 C ATOM 442 O ASP A 32 1.159 2.036 -7.851 1.00 0.00 O ATOM 443 CB ASP A 32 3.018 -0.484 -8.375 1.00 0.00 C ATOM 444 CG ASP A 32 3.626 0.231 -7.166 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.235 -0.133 -6.036 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.467 1.125 -7.399 1.00 0.00 O ATOM 0 H ASP A 32 1.621 -1.711 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 32 0.963 -0.561 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.162 -1.558 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.568 -0.188 -9.268 1.00 0.00 H new ATOM 451 N GLN A 33 1.415 1.696 -10.072 1.00 0.00 N ATOM 452 CA GLN A 33 1.261 3.099 -10.417 1.00 0.00 C ATOM 453 C GLN A 33 -0.120 3.601 -9.994 1.00 0.00 C ATOM 454 O GLN A 33 -0.229 4.523 -9.187 1.00 0.00 O ATOM 455 CB GLN A 33 1.491 3.324 -11.913 1.00 0.00 C ATOM 456 CG GLN A 33 2.861 3.956 -12.168 1.00 0.00 C ATOM 457 CD GLN A 33 2.913 4.614 -13.549 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.363 4.122 -14.520 1.00 0.00 O ATOM 459 NE2 GLN A 33 3.603 5.750 -13.581 1.00 0.00 N ATOM 0 H GLN A 33 1.573 1.076 -10.867 1.00 0.00 H new ATOM 0 HA GLN A 33 2.015 3.671 -9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.421 2.374 -12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.709 3.970 -12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.071 4.699 -11.399 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.636 3.194 -12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.039 6.106 -12.730 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.697 6.265 -14.456 1.00 0.00 H new ATOM 468 N VAL A 34 -1.142 2.973 -10.557 1.00 0.00 N ATOM 469 CA VAL A 34 -2.512 3.344 -10.247 1.00 0.00 C ATOM 470 C VAL A 34 -2.649 3.560 -8.739 1.00 0.00 C ATOM 471 O VAL A 34 -2.814 4.691 -8.282 1.00 0.00 O ATOM 472 CB VAL A 34 -3.476 2.288 -10.790 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.902 2.540 -10.293 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.429 2.235 -12.318 1.00 0.00 C ATOM 0 H VAL A 34 -1.048 2.209 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.773 4.283 -10.734 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.156 1.317 -10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.567 1.775 -10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.920 2.502 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.236 3.522 -10.627 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.124 1.476 -12.677 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.711 3.206 -12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.419 1.985 -12.642 1.00 0.00 H new ATOM 484 N ILE A 35 -2.575 2.459 -8.006 1.00 0.00 N ATOM 485 CA ILE A 35 -2.689 2.513 -6.559 1.00 0.00 C ATOM 486 C ILE A 35 -1.937 3.740 -6.039 1.00 0.00 C ATOM 487 O ILE A 35 -2.340 4.344 -5.046 1.00 0.00 O ATOM 488 CB ILE A 35 -2.222 1.197 -5.935 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.163 0.049 -6.309 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.062 1.335 -4.419 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.375 -1.223 -6.628 1.00 0.00 C ATOM 0 H ILE A 35 -2.437 1.523 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.732 2.627 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.240 0.955 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.853 -0.143 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.765 0.334 -7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.729 0.385 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.324 2.107 -4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.019 1.611 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.067 -2.023 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.703 -1.035 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.793 -1.519 -5.755 1.00 0.00 H new ATOM 503 N GLN A 36 -0.859 4.072 -6.733 1.00 0.00 N ATOM 504 CA GLN A 36 -0.047 5.217 -6.353 1.00 0.00 C ATOM 505 C GLN A 36 -0.839 6.513 -6.537 1.00 0.00 C ATOM 506 O GLN A 36 -1.137 7.206 -5.565 1.00 0.00 O ATOM 507 CB GLN A 36 1.257 5.253 -7.151 1.00 0.00 C ATOM 508 CG GLN A 36 2.433 5.664 -6.263 1.00 0.00 C ATOM 509 CD GLN A 36 2.012 6.741 -5.260 1.00 0.00 C ATOM 510 OE1 GLN A 36 1.617 6.462 -4.140 1.00 0.00 O ATOM 511 NE2 GLN A 36 2.118 7.983 -5.724 1.00 0.00 N ATOM 0 H GLN A 36 -0.528 3.569 -7.556 1.00 0.00 H new ATOM 0 HA GLN A 36 0.214 5.120 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.450 4.271 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.161 5.954 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.812 4.793 -5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.248 6.038 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.456 8.146 -6.672 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.861 8.772 -5.131 1.00 0.00 H new ATOM 520 N ASN A 37 -1.156 6.802 -7.791 1.00 0.00 N ATOM 521 CA ASN A 37 -1.907 8.003 -8.115 1.00 0.00 C ATOM 522 C ASN A 37 -3.253 7.969 -7.388 1.00 0.00 C ATOM 523 O ASN A 37 -3.758 9.006 -6.960 1.00 0.00 O ATOM 524 CB ASN A 37 -2.183 8.091 -9.617 1.00 0.00 C ATOM 525 CG ASN A 37 -1.449 9.280 -10.240 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.604 10.420 -9.835 1.00 0.00 O ATOM 527 ND2 ASN A 37 -0.643 8.951 -11.246 1.00 0.00 N ATOM 0 H ASN A 37 -0.906 6.225 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.315 8.865 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.867 7.168 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.255 8.190 -9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.108 9.673 -11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.560 7.976 -11.535 1.00 0.00 H new ATOM 534 N GLU A 38 -3.796 6.766 -7.270 1.00 0.00 N ATOM 535 CA GLU A 38 -5.073 6.584 -6.602 1.00 0.00 C ATOM 536 C GLU A 38 -4.924 6.818 -5.098 1.00 0.00 C ATOM 537 O GLU A 38 -5.761 7.477 -4.483 1.00 0.00 O ATOM 538 CB GLU A 38 -5.647 5.194 -6.886 1.00 0.00 C ATOM 539 CG GLU A 38 -5.937 5.015 -8.378 1.00 0.00 C ATOM 540 CD GLU A 38 -7.054 5.956 -8.836 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.012 6.124 -8.050 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.925 6.484 -9.961 1.00 0.00 O ATOM 0 H GLU A 38 -3.375 5.908 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.775 7.319 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.943 4.431 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.564 5.051 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.033 5.211 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.223 3.982 -8.575 1.00 0.00 H new ATOM 549 N MET A 39 -3.852 6.266 -4.549 1.00 0.00 N ATOM 550 CA MET A 39 -3.583 6.407 -3.128 1.00 0.00 C ATOM 551 C MET A 39 -2.132 6.829 -2.884 1.00 0.00 C ATOM 552 O MET A 39 -1.334 6.050 -2.367 1.00 0.00 O ATOM 553 CB MET A 39 -3.853 5.077 -2.422 1.00 0.00 C ATOM 554 CG MET A 39 -5.182 4.473 -2.881 1.00 0.00 C ATOM 555 SD MET A 39 -4.891 2.928 -3.726 1.00 0.00 S ATOM 556 CE MET A 39 -4.427 1.900 -2.343 1.00 0.00 C ATOM 0 H MET A 39 -3.160 5.720 -5.062 1.00 0.00 H new ATOM 0 HA MET A 39 -4.239 7.180 -2.728 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.041 4.380 -2.630 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.873 5.231 -1.343 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.833 4.310 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.697 5.168 -3.544 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.734 0.872 -2.535 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.346 1.937 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.917 2.263 -1.440 1.00 0.00 H new ATOM 566 N PRO A 40 -1.828 8.095 -3.278 1.00 0.00 N ATOM 567 CA PRO A 40 -0.488 8.630 -3.107 1.00 0.00 C ATOM 568 C PRO A 40 -0.221 8.985 -1.643 1.00 0.00 C ATOM 569 O PRO A 40 0.861 9.459 -1.303 1.00 0.00 O ATOM 570 CB PRO A 40 -0.426 9.836 -4.031 1.00 0.00 C ATOM 571 CG PRO A 40 -1.869 10.206 -4.331 1.00 0.00 C ATOM 572 CD PRO A 40 -2.749 9.047 -3.893 1.00 0.00 C ATOM 0 HA PRO A 40 0.288 7.908 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.099 10.665 -3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.115 9.599 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.147 11.117 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.999 10.403 -5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.511 9.374 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.270 8.603 -4.741 1.00 0.00 H new ATOM 580 N HIS A 41 -1.227 8.740 -0.816 1.00 0.00 N ATOM 581 CA HIS A 41 -1.115 9.028 0.604 1.00 0.00 C ATOM 582 C HIS A 41 -0.672 7.767 1.349 1.00 0.00 C ATOM 583 O HIS A 41 -0.628 7.751 2.579 1.00 0.00 O ATOM 584 CB HIS A 41 -2.422 9.609 1.146 1.00 0.00 C ATOM 585 CG HIS A 41 -3.634 8.748 0.880 1.00 0.00 C ATOM 586 ND1 HIS A 41 -4.403 8.869 -0.265 1.00 0.00 N ATOM 587 CD2 HIS A 41 -4.200 7.752 1.620 1.00 0.00 C ATOM 588 CE1 HIS A 41 -5.385 7.982 -0.205 1.00 0.00 C ATOM 589 NE2 HIS A 41 -5.258 7.291 0.964 1.00 0.00 N ATOM 0 H HIS A 41 -2.123 8.345 -1.102 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.353 9.790 0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -2.323 9.757 2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -2.583 10.592 0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.847 7.398 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.152 7.832 -0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -5.874 6.543 1.282 1.00 0.00 H new ATOM 597 N ILE A 42 -0.355 6.740 0.574 1.00 0.00 N ATOM 598 CA ILE A 42 0.082 5.478 1.145 1.00 0.00 C ATOM 599 C ILE A 42 1.611 5.420 1.133 1.00 0.00 C ATOM 600 O ILE A 42 2.261 6.226 0.468 1.00 0.00 O ATOM 601 CB ILE A 42 -0.583 4.304 0.424 1.00 0.00 C ATOM 602 CG1 ILE A 42 -2.094 4.518 0.307 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.243 2.978 1.106 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.822 3.964 1.534 1.00 0.00 C ATOM 0 H ILE A 42 -0.392 6.757 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.233 5.402 2.186 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.185 4.256 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.307 5.582 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.466 4.028 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.728 2.160 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.837 2.829 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.595 2.999 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.894 4.129 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.626 2.895 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.465 4.473 2.429 1.00 0.00 H new ATOM 616 N GLU A 43 2.141 4.460 1.875 1.00 0.00 N ATOM 617 CA GLU A 43 3.581 4.286 1.958 1.00 0.00 C ATOM 618 C GLU A 43 4.033 3.151 1.037 1.00 0.00 C ATOM 619 O GLU A 43 3.233 2.296 0.661 1.00 0.00 O ATOM 620 CB GLU A 43 4.021 4.029 3.401 1.00 0.00 C ATOM 621 CG GLU A 43 4.092 5.336 4.193 1.00 0.00 C ATOM 622 CD GLU A 43 5.536 5.663 4.584 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.295 6.056 3.672 1.00 0.00 O ATOM 624 OE2 GLU A 43 5.847 5.511 5.785 1.00 0.00 O ATOM 0 H GLU A 43 1.599 3.794 2.425 1.00 0.00 H new ATOM 0 HA GLU A 43 4.058 5.209 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.321 3.346 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.996 3.543 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.680 6.150 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.478 5.256 5.090 1.00 0.00 H new ATOM 631 N ALA A 44 5.314 3.180 0.700 1.00 0.00 N ATOM 632 CA ALA A 44 5.882 2.164 -0.170 1.00 0.00 C ATOM 633 C ALA A 44 5.718 0.790 0.483 1.00 0.00 C ATOM 634 O ALA A 44 5.246 -0.151 -0.153 1.00 0.00 O ATOM 635 CB ALA A 44 7.346 2.501 -0.460 1.00 0.00 C ATOM 0 H ALA A 44 5.975 3.891 1.014 1.00 0.00 H new ATOM 0 HA ALA A 44 5.358 2.140 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.772 1.739 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.405 3.473 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.905 2.531 0.476 1.00 0.00 H new ATOM 641 N GLN A 45 6.117 0.718 1.745 1.00 0.00 N ATOM 642 CA GLN A 45 6.021 -0.525 2.490 1.00 0.00 C ATOM 643 C GLN A 45 4.554 -0.880 2.742 1.00 0.00 C ATOM 644 O GLN A 45 4.158 -2.036 2.597 1.00 0.00 O ATOM 645 CB GLN A 45 6.797 -0.437 3.806 1.00 0.00 C ATOM 646 CG GLN A 45 8.134 -1.173 3.704 1.00 0.00 C ATOM 647 CD GLN A 45 9.115 -0.678 4.769 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.518 -1.404 5.663 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.475 0.594 4.624 1.00 0.00 N ATOM 0 H GLN A 45 6.507 1.501 2.270 1.00 0.00 H new ATOM 0 HA GLN A 45 6.470 -1.319 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.972 0.608 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.202 -0.866 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.973 -2.245 3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.561 -1.022 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.100 1.146 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.127 1.018 5.284 1.00 0.00 H new ATOM 658 N GLN A 46 3.788 0.135 3.114 1.00 0.00 N ATOM 659 CA GLN A 46 2.373 -0.056 3.387 1.00 0.00 C ATOM 660 C GLN A 46 1.657 -0.576 2.139 1.00 0.00 C ATOM 661 O GLN A 46 0.815 -1.469 2.229 1.00 0.00 O ATOM 662 CB GLN A 46 1.732 1.240 3.888 1.00 0.00 C ATOM 663 CG GLN A 46 2.308 1.648 5.245 1.00 0.00 C ATOM 664 CD GLN A 46 1.633 0.878 6.382 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.666 -0.340 6.446 1.00 0.00 O ATOM 666 NE2 GLN A 46 1.020 1.654 7.271 1.00 0.00 N ATOM 0 H GLN A 46 4.120 1.092 3.233 1.00 0.00 H new ATOM 0 HA GLN A 46 2.272 -0.801 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.900 2.037 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.653 1.108 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.381 1.459 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.171 2.719 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.031 2.668 7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.539 1.236 8.067 1.00 0.00 H new ATOM 675 N ARG A 47 2.018 0.004 1.004 1.00 0.00 N ATOM 676 CA ARG A 47 1.420 -0.389 -0.260 1.00 0.00 C ATOM 677 C ARG A 47 1.706 -1.865 -0.546 1.00 0.00 C ATOM 678 O ARG A 47 0.808 -2.611 -0.933 1.00 0.00 O ATOM 679 CB ARG A 47 1.961 0.460 -1.413 1.00 0.00 C ATOM 680 CG ARG A 47 0.897 1.435 -1.921 1.00 0.00 C ATOM 681 CD ARG A 47 1.184 1.857 -3.363 1.00 0.00 C ATOM 682 NE ARG A 47 2.462 2.602 -3.427 1.00 0.00 N ATOM 683 CZ ARG A 47 2.627 3.851 -2.970 1.00 0.00 C ATOM 684 NH1 ARG A 47 1.597 4.502 -2.413 1.00 0.00 N ATOM 685 NH2 ARG A 47 3.822 4.448 -3.070 1.00 0.00 N ATOM 0 H ARG A 47 2.717 0.743 0.934 1.00 0.00 H new ATOM 0 HA ARG A 47 0.344 -0.232 -0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.839 1.014 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.283 -0.189 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.086 0.968 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.869 2.316 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.233 0.978 -4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.371 2.480 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 47 3.267 2.136 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.687 4.047 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.723 5.453 -2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.606 3.952 -3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.948 5.399 -2.722 1.00 0.00 H new ATOM 699 N ALA A 48 2.959 -2.242 -0.343 1.00 0.00 N ATOM 700 CA ALA A 48 3.374 -3.616 -0.574 1.00 0.00 C ATOM 701 C ALA A 48 2.680 -4.530 0.437 1.00 0.00 C ATOM 702 O ALA A 48 1.999 -5.480 0.054 1.00 0.00 O ATOM 703 CB ALA A 48 4.899 -3.709 -0.493 1.00 0.00 C ATOM 0 H ALA A 48 3.701 -1.621 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 48 3.080 -3.944 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.210 -4.739 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.344 -3.063 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.231 -3.391 0.495 1.00 0.00 H new ATOM 709 N VAL A 49 2.876 -4.212 1.708 1.00 0.00 N ATOM 710 CA VAL A 49 2.277 -4.993 2.776 1.00 0.00 C ATOM 711 C VAL A 49 0.846 -5.369 2.387 1.00 0.00 C ATOM 712 O VAL A 49 0.542 -6.544 2.187 1.00 0.00 O ATOM 713 CB VAL A 49 2.355 -4.222 4.095 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.219 -4.630 5.037 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.717 -4.414 4.764 1.00 0.00 C ATOM 0 H VAL A 49 3.442 -3.423 2.022 1.00 0.00 H new ATOM 0 HA VAL A 49 2.828 -5.922 2.925 1.00 0.00 H new ATOM 0 HB VAL A 49 2.240 -3.162 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.298 -4.067 5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.260 -4.417 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.289 -5.696 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.745 -3.855 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.876 -5.473 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.502 -4.051 4.101 1.00 0.00 H new ATOM 725 N ALA A 50 0.006 -4.350 2.291 1.00 0.00 N ATOM 726 CA ALA A 50 -1.386 -4.559 1.929 1.00 0.00 C ATOM 727 C ALA A 50 -1.460 -5.508 0.731 1.00 0.00 C ATOM 728 O ALA A 50 -2.237 -6.461 0.737 1.00 0.00 O ATOM 729 CB ALA A 50 -2.048 -3.209 1.644 1.00 0.00 C ATOM 0 H ALA A 50 0.262 -3.377 2.458 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.931 -5.022 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.092 -3.366 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.995 -2.582 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.529 -2.716 0.822 1.00 0.00 H new ATOM 735 N ILE A 51 -0.640 -5.215 -0.268 1.00 0.00 N ATOM 736 CA ILE A 51 -0.602 -6.030 -1.470 1.00 0.00 C ATOM 737 C ILE A 51 -0.272 -7.475 -1.090 1.00 0.00 C ATOM 738 O ILE A 51 -1.081 -8.377 -1.302 1.00 0.00 O ATOM 739 CB ILE A 51 0.360 -5.428 -2.496 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.274 -4.230 -3.205 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.841 -6.491 -3.485 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.775 -3.441 -3.991 1.00 0.00 C ATOM 0 H ILE A 51 0.004 -4.424 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.579 -6.042 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 51 1.239 -5.060 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.057 -4.575 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.750 -3.579 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.523 -6.037 -4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.358 -7.284 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.015 -6.911 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.298 -2.595 -4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.543 -3.077 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.232 -4.088 -4.739 1.00 0.00 H new ATOM 754 N ASN A 52 0.919 -7.650 -0.536 1.00 0.00 N ATOM 755 CA ASN A 52 1.366 -8.970 -0.125 1.00 0.00 C ATOM 756 C ASN A 52 0.232 -9.680 0.617 1.00 0.00 C ATOM 757 O ASN A 52 -0.015 -10.864 0.394 1.00 0.00 O ATOM 758 CB ASN A 52 2.565 -8.876 0.821 1.00 0.00 C ATOM 759 CG ASN A 52 3.623 -9.924 0.471 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.337 -11.096 0.290 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.858 -9.439 0.387 1.00 0.00 N ATOM 0 H ASN A 52 1.588 -6.900 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 52 1.655 -9.522 -1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.002 -7.879 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.233 -9.018 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.635 -10.059 0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.028 -8.447 0.550 1.00 0.00 H new ATOM 768 N ARG A 53 -0.427 -8.926 1.485 1.00 0.00 N ATOM 769 CA ARG A 53 -1.528 -9.469 2.262 1.00 0.00 C ATOM 770 C ARG A 53 -2.627 -9.990 1.333 1.00 0.00 C ATOM 771 O ARG A 53 -2.936 -11.181 1.339 1.00 0.00 O ATOM 772 CB ARG A 53 -2.119 -8.409 3.194 1.00 0.00 C ATOM 773 CG ARG A 53 -1.547 -8.541 4.607 1.00 0.00 C ATOM 774 CD ARG A 53 -0.845 -7.251 5.037 1.00 0.00 C ATOM 775 NE ARG A 53 -1.369 -6.803 6.347 1.00 0.00 N ATOM 776 CZ ARG A 53 -1.194 -7.473 7.495 1.00 0.00 C ATOM 777 NH1 ARG A 53 -0.510 -8.625 7.501 1.00 0.00 N ATOM 778 NH2 ARG A 53 -1.705 -6.991 8.636 1.00 0.00 N ATOM 0 H ARG A 53 -0.220 -7.944 1.667 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.137 -10.289 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.904 -7.415 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.204 -8.512 3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.349 -8.774 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.842 -9.372 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.230 -7.417 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.002 -6.475 4.288 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.896 -5.930 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.122 -8.992 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.377 -9.135 8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.227 -6.115 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.572 -7.500 9.510 1.00 0.00 H new ATOM 792 N LEU A 54 -3.185 -9.073 0.557 1.00 0.00 N ATOM 793 CA LEU A 54 -4.243 -9.426 -0.375 1.00 0.00 C ATOM 794 C LEU A 54 -3.798 -10.625 -1.215 1.00 0.00 C ATOM 795 O LEU A 54 -4.583 -11.538 -1.465 1.00 0.00 O ATOM 796 CB LEU A 54 -4.649 -8.209 -1.209 1.00 0.00 C ATOM 797 CG LEU A 54 -5.161 -6.999 -0.425 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.226 -5.756 -1.315 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.508 -7.303 0.235 1.00 0.00 C ATOM 0 H LEU A 54 -2.925 -8.087 0.554 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.140 -9.729 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.789 -7.896 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.424 -8.517 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.452 -6.785 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.593 -4.911 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.230 -5.529 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.901 -5.942 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.849 -6.427 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.240 -7.557 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.396 -8.142 0.922 1.00 0.00 H new ATOM 811 N LEU A 55 -2.539 -10.584 -1.626 1.00 0.00 N ATOM 812 CA LEU A 55 -1.980 -11.657 -2.432 1.00 0.00 C ATOM 813 C LEU A 55 -2.168 -12.988 -1.703 1.00 0.00 C ATOM 814 O LEU A 55 -2.874 -13.871 -2.187 1.00 0.00 O ATOM 815 CB LEU A 55 -0.524 -11.353 -2.793 1.00 0.00 C ATOM 816 CG LEU A 55 -0.299 -10.169 -3.735 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.194 -9.905 -3.937 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.030 -10.378 -5.063 1.00 0.00 C ATOM 0 H LEU A 55 -1.890 -9.825 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.510 -11.736 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.027 -11.168 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.091 -12.243 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.723 -9.278 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.326 -9.058 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.657 -9.680 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.665 -10.789 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.853 -9.522 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.659 -11.283 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.099 -10.479 -4.878 1.00 0.00 H new ATOM 830 N SER A 56 -1.524 -13.091 -0.549 1.00 0.00 N ATOM 831 CA SER A 56 -1.612 -14.300 0.252 1.00 0.00 C ATOM 832 C SER A 56 -3.067 -14.566 0.640 1.00 0.00 C ATOM 833 O SER A 56 -3.604 -15.635 0.355 1.00 0.00 O ATOM 834 CB SER A 56 -0.739 -14.195 1.504 1.00 0.00 C ATOM 835 OG SER A 56 0.137 -13.072 1.452 1.00 0.00 O ATOM 0 H SER A 56 -0.939 -12.357 -0.150 1.00 0.00 H new ATOM 0 HA SER A 56 -1.244 -15.134 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.376 -14.117 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.153 -15.107 1.615 1.00 0.00 H new ATOM 0 HG SER A 56 -0.391 -12.247 1.422 1.00 0.00 H new ATOM 841 N MET A 57 -3.665 -13.575 1.285 1.00 0.00 N ATOM 842 CA MET A 57 -5.048 -13.689 1.716 1.00 0.00 C ATOM 843 C MET A 57 -5.885 -14.441 0.679 1.00 0.00 C ATOM 844 O MET A 57 -6.689 -15.302 1.031 1.00 0.00 O ATOM 845 CB MET A 57 -5.634 -12.291 1.928 1.00 0.00 C ATOM 846 CG MET A 57 -5.021 -11.621 3.160 1.00 0.00 C ATOM 847 SD MET A 57 -6.308 -11.169 4.311 1.00 0.00 S ATOM 848 CE MET A 57 -5.937 -9.437 4.526 1.00 0.00 C ATOM 0 H MET A 57 -3.217 -12.689 1.520 1.00 0.00 H new ATOM 0 HA MET A 57 -5.073 -14.249 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.449 -11.678 1.046 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.715 -12.360 2.047 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.314 -12.299 3.639 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.461 -10.735 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.218 -9.127 5.532 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.869 -9.273 4.381 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.496 -8.852 3.796 1.00 0.00 H new ATOM 858 N GLY A 58 -5.667 -14.088 -0.579 1.00 0.00 N ATOM 859 CA GLY A 58 -6.391 -14.719 -1.670 1.00 0.00 C ATOM 860 C GLY A 58 -7.478 -13.791 -2.216 1.00 0.00 C ATOM 861 O GLY A 58 -8.372 -14.232 -2.936 1.00 0.00 O ATOM 0 H GLY A 58 -4.999 -13.373 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.697 -14.981 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.842 -15.648 -1.322 1.00 0.00 H new ATOM 865 N GLN A 59 -7.364 -12.521 -1.853 1.00 0.00 N ATOM 866 CA GLN A 59 -8.326 -11.527 -2.298 1.00 0.00 C ATOM 867 C GLN A 59 -7.827 -10.837 -3.569 1.00 0.00 C ATOM 868 O GLN A 59 -8.621 -10.481 -4.438 1.00 0.00 O ATOM 869 CB GLN A 59 -8.609 -10.506 -1.194 1.00 0.00 C ATOM 870 CG GLN A 59 -9.039 -11.201 0.099 1.00 0.00 C ATOM 871 CD GLN A 59 -10.471 -10.817 0.478 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.434 -11.199 -0.166 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.556 -10.042 1.556 1.00 0.00 N ATOM 0 H GLN A 59 -6.621 -12.158 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.263 -12.034 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.717 -9.908 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.391 -9.820 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.969 -12.282 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.360 -10.928 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.709 -9.759 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.468 -9.731 1.890 1.00 0.00 H new ATOM 882 N LEU A 60 -6.515 -10.670 -3.637 1.00 0.00 N ATOM 883 CA LEU A 60 -5.901 -10.029 -4.787 1.00 0.00 C ATOM 884 C LEU A 60 -5.182 -11.084 -5.630 1.00 0.00 C ATOM 885 O LEU A 60 -4.725 -12.098 -5.104 1.00 0.00 O ATOM 886 CB LEU A 60 -4.997 -8.878 -4.340 1.00 0.00 C ATOM 887 CG LEU A 60 -4.178 -8.202 -5.442 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.088 -7.656 -6.544 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.268 -7.118 -4.861 1.00 0.00 C ATOM 0 H LEU A 60 -5.860 -10.968 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.662 -9.577 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.617 -8.121 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.309 -9.255 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.534 -8.953 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.481 -7.181 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.658 -8.474 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.774 -6.923 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.697 -6.653 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.875 -6.362 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.583 -7.566 -4.141 1.00 0.00 H new ATOM 901 N ASP A 61 -5.104 -10.810 -6.924 1.00 0.00 N ATOM 902 CA ASP A 61 -4.448 -11.723 -7.844 1.00 0.00 C ATOM 903 C ASP A 61 -3.306 -10.992 -8.554 1.00 0.00 C ATOM 904 O ASP A 61 -3.528 -9.973 -9.206 1.00 0.00 O ATOM 905 CB ASP A 61 -5.423 -12.225 -8.911 1.00 0.00 C ATOM 906 CG ASP A 61 -5.568 -13.746 -8.990 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.918 -14.422 -8.163 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.326 -14.198 -9.875 1.00 0.00 O ATOM 0 H ASP A 61 -5.484 -9.968 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.075 -12.570 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.404 -11.791 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.096 -11.855 -9.883 1.00 0.00 H new ATOM 913 N LEU A 62 -2.110 -11.542 -8.404 1.00 0.00 N ATOM 914 CA LEU A 62 -0.934 -10.955 -9.022 1.00 0.00 C ATOM 915 C LEU A 62 -0.788 -11.496 -10.446 1.00 0.00 C ATOM 916 O LEU A 62 -0.836 -12.706 -10.662 1.00 0.00 O ATOM 917 CB LEU A 62 0.301 -11.183 -8.148 1.00 0.00 C ATOM 918 CG LEU A 62 1.267 -10.002 -8.031 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.645 -10.466 -7.554 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.348 -9.227 -9.347 1.00 0.00 C ATOM 0 H LEU A 62 -1.930 -12.388 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.045 -9.874 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.032 -11.455 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.849 -12.038 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 62 0.879 -9.317 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.312 -9.607 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.551 -10.939 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.054 -11.183 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.041 -8.393 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.700 -9.889 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.360 -8.846 -9.606 1.00 0.00 H new ATOM 932 N LEU A 63 -0.612 -10.573 -11.381 1.00 0.00 N ATOM 933 CA LEU A 63 -0.459 -10.943 -12.777 1.00 0.00 C ATOM 934 C LEU A 63 0.797 -10.277 -13.342 1.00 0.00 C ATOM 935 O LEU A 63 0.807 -9.072 -13.591 1.00 0.00 O ATOM 936 CB LEU A 63 -1.732 -10.617 -13.561 1.00 0.00 C ATOM 937 CG LEU A 63 -2.545 -11.818 -14.049 1.00 0.00 C ATOM 938 CD1 LEU A 63 -4.039 -11.608 -13.795 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.251 -12.118 -15.520 1.00 0.00 C ATOM 0 H LEU A 63 -0.572 -9.570 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.320 -12.020 -12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.374 -10.000 -12.932 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.458 -10.013 -14.426 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.240 -12.693 -13.475 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.594 -12.476 -14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.212 -11.480 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.377 -10.718 -14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.842 -12.976 -15.841 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.510 -11.251 -16.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.191 -12.342 -15.641 1.00 0.00 H new ATOM 951 N ARG A 64 1.827 -11.090 -13.527 1.00 0.00 N ATOM 952 CA ARG A 64 3.086 -10.594 -14.058 1.00 0.00 C ATOM 953 C ARG A 64 2.986 -10.405 -15.573 1.00 0.00 C ATOM 954 O ARG A 64 2.927 -11.379 -16.321 1.00 0.00 O ATOM 955 CB ARG A 64 4.232 -11.557 -13.745 1.00 0.00 C ATOM 956 CG ARG A 64 4.650 -11.455 -12.277 1.00 0.00 C ATOM 957 CD ARG A 64 4.067 -12.610 -11.460 1.00 0.00 C ATOM 958 NE ARG A 64 4.858 -12.804 -10.223 1.00 0.00 N ATOM 959 CZ ARG A 64 4.519 -13.650 -9.240 1.00 0.00 C ATOM 960 NH1 ARG A 64 3.403 -14.384 -9.343 1.00 0.00 N ATOM 961 NH2 ARG A 64 5.296 -13.761 -8.155 1.00 0.00 N ATOM 0 H ARG A 64 1.816 -12.088 -13.319 1.00 0.00 H new ATOM 0 HA ARG A 64 3.292 -9.635 -13.582 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.924 -12.578 -13.969 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.085 -11.333 -14.386 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.737 -11.465 -12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.311 -10.505 -11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.028 -12.400 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.073 -13.525 -12.053 1.00 0.00 H new ATOM 0 HE ARG A 64 5.714 -12.260 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.811 -14.299 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.145 -15.028 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.146 -13.202 -8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.038 -14.405 -7.407 1.00 0.00 H new ATOM 975 N SER A 65 2.969 -9.144 -15.980 1.00 0.00 N ATOM 976 CA SER A 65 2.877 -8.815 -17.392 1.00 0.00 C ATOM 977 C SER A 65 3.859 -7.692 -17.732 1.00 0.00 C ATOM 978 O SER A 65 4.583 -7.210 -16.862 1.00 0.00 O ATOM 979 CB SER A 65 1.452 -8.407 -17.770 1.00 0.00 C ATOM 980 OG SER A 65 0.905 -9.250 -18.780 1.00 0.00 O ATOM 0 H SER A 65 3.017 -8.338 -15.356 1.00 0.00 H new ATOM 0 HA SER A 65 3.137 -9.703 -17.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.818 -8.444 -16.884 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.451 -7.375 -18.120 1.00 0.00 H new ATOM 0 HG SER A 65 -0.006 -8.958 -18.992 1.00 0.00 H new ATOM 986 N ASN A 66 3.853 -7.308 -19.000 1.00 0.00 N ATOM 987 CA ASN A 66 4.734 -6.251 -19.467 1.00 0.00 C ATOM 988 C ASN A 66 4.565 -5.021 -18.573 1.00 0.00 C ATOM 989 O ASN A 66 3.450 -4.685 -18.177 1.00 0.00 O ATOM 990 CB ASN A 66 4.394 -5.843 -20.902 1.00 0.00 C ATOM 991 CG ASN A 66 5.564 -5.103 -21.553 1.00 0.00 C ATOM 992 OD1 ASN A 66 6.593 -5.675 -21.873 1.00 0.00 O ATOM 993 ND2 ASN A 66 5.349 -3.803 -21.731 1.00 0.00 N ATOM 0 H ASN A 66 3.252 -7.710 -19.719 1.00 0.00 H new ATOM 0 HA ASN A 66 5.757 -6.625 -19.432 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.149 -6.729 -21.487 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.510 -5.205 -20.903 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.069 -3.221 -22.159 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.464 -3.388 -21.440 1.00 0.00 H new ATOM 1000 N THR A 67 5.688 -4.382 -18.281 1.00 0.00 N ATOM 1001 CA THR A 67 5.679 -3.196 -17.442 1.00 0.00 C ATOM 1002 C THR A 67 5.185 -3.542 -16.036 1.00 0.00 C ATOM 1003 O THR A 67 3.981 -3.591 -15.791 1.00 0.00 O ATOM 1004 CB THR A 67 4.830 -2.131 -18.138 1.00 0.00 C ATOM 1005 OG1 THR A 67 5.601 -1.765 -19.280 1.00 0.00 O ATOM 1006 CG2 THR A 67 4.732 -0.837 -17.327 1.00 0.00 C ATOM 0 H THR A 67 6.611 -4.664 -18.611 1.00 0.00 H new ATOM 0 HA THR A 67 6.685 -2.797 -17.311 1.00 0.00 H new ATOM 0 HB THR A 67 3.829 -2.525 -18.316 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.123 -1.079 -19.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.119 -0.115 -17.866 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.278 -1.048 -16.359 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.730 -0.425 -17.177 1.00 0.00 H new ATOM 1014 N GLY A 68 6.141 -3.774 -15.148 1.00 0.00 N ATOM 1015 CA GLY A 68 5.819 -4.114 -13.773 1.00 0.00 C ATOM 1016 C GLY A 68 4.801 -5.255 -13.714 1.00 0.00 C ATOM 1017 O GLY A 68 4.555 -5.924 -14.716 1.00 0.00 O ATOM 0 H GLY A 68 7.139 -3.733 -15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.727 -4.404 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.419 -3.238 -13.262 1.00 0.00 H new ATOM 1021 N LEU A 69 4.237 -5.442 -12.530 1.00 0.00 N ATOM 1022 CA LEU A 69 3.252 -6.490 -12.328 1.00 0.00 C ATOM 1023 C LEU A 69 1.850 -5.878 -12.348 1.00 0.00 C ATOM 1024 O LEU A 69 1.699 -4.661 -12.246 1.00 0.00 O ATOM 1025 CB LEU A 69 3.560 -7.277 -11.052 1.00 0.00 C ATOM 1026 CG LEU A 69 5.030 -7.321 -10.631 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.195 -8.039 -9.290 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.896 -7.948 -11.726 1.00 0.00 C ATOM 0 H LEU A 69 4.444 -4.885 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 69 3.296 -7.215 -13.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.981 -6.847 -10.235 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.210 -8.301 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 69 5.376 -6.297 -10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.249 -8.056 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.628 -7.512 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.826 -9.061 -9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.936 -7.967 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.558 -8.966 -11.919 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.812 -7.358 -12.639 1.00 0.00 H new ATOM 1040 N LEU A 70 0.860 -6.748 -12.481 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.524 -6.308 -12.516 1.00 0.00 C ATOM 1042 C LEU A 70 -1.295 -6.970 -11.371 1.00 0.00 C ATOM 1043 O LEU A 70 -0.983 -8.092 -10.975 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.133 -6.564 -13.896 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.647 -6.374 -14.007 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.018 -5.685 -15.321 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.381 -7.705 -13.830 1.00 0.00 C ATOM 0 H LEU A 70 0.989 -7.756 -12.566 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.585 -5.231 -12.361 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.650 -5.900 -14.613 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.892 -7.584 -14.194 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.969 -5.719 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.100 -5.562 -15.375 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.539 -4.707 -15.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.680 -6.294 -16.159 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.455 -7.542 -13.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.059 -8.404 -14.602 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.152 -8.119 -12.848 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.286 -6.246 -10.872 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.104 -6.749 -9.781 1.00 0.00 C ATOM 1061 C TYR A 71 -4.593 -6.636 -10.114 1.00 0.00 C ATOM 1062 O TYR A 71 -5.078 -5.556 -10.445 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.794 -5.858 -8.577 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.299 -5.675 -8.306 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.490 -6.778 -8.124 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.759 -4.406 -8.245 1.00 0.00 C ATOM 1067 CE1 TYR A 71 0.916 -6.606 -7.870 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.647 -4.233 -7.990 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.416 -5.342 -7.815 1.00 0.00 C ATOM 1070 OH TYR A 71 2.744 -5.179 -7.575 1.00 0.00 O ATOM 0 H TYR A 71 -2.541 -5.315 -11.203 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.886 -7.800 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.246 -4.879 -8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.264 -6.286 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.912 -7.771 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.392 -3.543 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.560 -7.461 -7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.082 -3.246 -7.939 1.00 0.00 H new ATOM 0 HH TYR A 71 2.960 -4.223 -7.565 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.276 -7.768 -10.016 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.699 -7.809 -10.303 1.00 0.00 C ATOM 1082 C ARG A 72 -7.435 -8.606 -9.224 1.00 0.00 C ATOM 1083 O ARG A 72 -6.812 -9.135 -8.304 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.968 -8.445 -11.669 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.566 -9.921 -11.675 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.364 -10.702 -12.721 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.766 -12.017 -12.173 1.00 0.00 N ATOM 1088 CZ ARG A 72 -8.052 -13.088 -12.925 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.981 -13.008 -14.261 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.408 -14.241 -12.341 1.00 0.00 N ATOM 0 H ARG A 72 -4.870 -8.663 -9.742 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.064 -6.782 -10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.026 -8.351 -11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.412 -7.910 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.500 -10.010 -11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.734 -10.352 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.248 -10.135 -13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.763 -10.842 -13.619 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.829 -12.114 -11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.709 -12.131 -14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.199 -13.824 -14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.461 -14.303 -11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.626 -15.057 -12.913 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.750 -8.668 -9.372 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.577 -9.391 -8.421 1.00 0.00 C ATOM 1106 C ILE A 73 -9.345 -10.894 -8.590 1.00 0.00 C ATOM 1107 O ILE A 73 -9.407 -11.415 -9.702 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.043 -8.977 -8.562 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.457 -8.031 -7.433 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.955 -10.203 -8.645 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.149 -8.642 -6.065 1.00 0.00 C ATOM 0 H ILE A 73 -9.263 -8.229 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.294 -9.136 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.154 -8.430 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.931 -7.082 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.523 -7.815 -7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.991 -9.880 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.678 -10.805 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.847 -10.799 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.453 -7.949 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.695 -9.579 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.079 -8.834 -5.985 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.081 -11.549 -7.469 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.838 -12.982 -7.478 1.00 0.00 C ATOM 1125 C LYS A 74 -10.115 -13.708 -7.906 1.00 0.00 C ATOM 1126 O LYS A 74 -11.218 -13.197 -7.714 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.293 -13.442 -6.125 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.465 -14.720 -6.273 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.284 -14.724 -5.300 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.872 -16.154 -4.945 1.00 0.00 C ATOM 1131 NZ LYS A 74 -5.096 -16.759 -6.051 1.00 0.00 N ATOM 0 H LYS A 74 -9.030 -11.114 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.068 -13.233 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.678 -12.654 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.120 -13.618 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.096 -15.590 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.098 -14.804 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.439 -14.198 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.554 -14.183 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.275 -16.151 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.759 -16.755 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.596 -17.598 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.989 -16.067 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.156 -17.038 -5.704 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.924 -14.888 -8.477 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.047 -15.690 -8.933 1.00 0.00 C ATOM 1147 C ASP A 75 -10.539 -17.059 -9.389 1.00 0.00 C ATOM 1148 O ASP A 75 -10.970 -18.089 -8.873 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.750 -15.027 -10.119 1.00 0.00 C ATOM 1150 CG ASP A 75 -12.681 -15.946 -10.913 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -13.724 -16.330 -10.341 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -12.328 -16.243 -12.075 1.00 0.00 O ATOM 0 H ASP A 75 -9.008 -15.308 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.750 -15.788 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.327 -14.178 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.993 -14.629 -10.795 1.00 0.00 H new ATOM 1157 N SER A 76 -9.628 -17.026 -10.351 1.00 0.00 N ATOM 1158 CA SER A 76 -9.057 -18.252 -10.882 1.00 0.00 C ATOM 1159 C SER A 76 -7.583 -18.356 -10.486 1.00 0.00 C ATOM 1160 O SER A 76 -6.708 -17.866 -11.199 1.00 0.00 O ATOM 1161 CB SER A 76 -9.203 -18.314 -12.404 1.00 0.00 C ATOM 1162 OG SER A 76 -8.523 -17.240 -13.049 1.00 0.00 O ATOM 0 H SER A 76 -9.272 -16.170 -10.776 1.00 0.00 H new ATOM 0 HA SER A 76 -9.602 -19.095 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.809 -19.263 -12.768 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.260 -18.285 -12.668 1.00 0.00 H new ATOM 0 HG SER A 76 -7.630 -17.137 -12.659 1.00 0.00 H new ATOM 1168 N GLY A 77 -7.352 -18.999 -9.350 1.00 0.00 N ATOM 1169 CA GLY A 77 -5.999 -19.174 -8.851 1.00 0.00 C ATOM 1170 C GLY A 77 -5.976 -20.124 -7.652 1.00 0.00 C ATOM 1171 O GLY A 77 -6.977 -20.271 -6.952 1.00 0.00 O ATOM 0 H GLY A 77 -8.079 -19.405 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.363 -19.568 -9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.586 -18.207 -8.562 1.00 0.00 H new ATOM 1175 N PRO A 78 -4.791 -20.760 -7.446 1.00 0.00 N ATOM 1176 CA PRO A 78 -4.625 -21.692 -6.343 1.00 0.00 C ATOM 1177 C PRO A 78 -4.496 -20.949 -5.012 1.00 0.00 C ATOM 1178 O PRO A 78 -3.958 -19.844 -4.963 1.00 0.00 O ATOM 1179 CB PRO A 78 -3.386 -22.499 -6.694 1.00 0.00 C ATOM 1180 CG PRO A 78 -2.641 -21.686 -7.741 1.00 0.00 C ATOM 1181 CD PRO A 78 -3.585 -20.611 -8.254 1.00 0.00 C ATOM 0 HA PRO A 78 -5.487 -22.346 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.765 -22.664 -5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.657 -23.481 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.747 -21.235 -7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.312 -22.327 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.152 -19.617 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.800 -20.746 -9.314 1.00 0.00 H new ATOM 1189 N SER A 79 -5.000 -21.585 -3.965 1.00 0.00 N ATOM 1190 CA SER A 79 -4.949 -20.998 -2.636 1.00 0.00 C ATOM 1191 C SER A 79 -4.368 -22.004 -1.641 1.00 0.00 C ATOM 1192 O SER A 79 -3.339 -21.744 -1.019 1.00 0.00 O ATOM 1193 CB SER A 79 -6.336 -20.542 -2.182 1.00 0.00 C ATOM 1194 OG SER A 79 -6.392 -20.322 -0.775 1.00 0.00 O ATOM 0 H SER A 79 -5.446 -22.501 -4.010 1.00 0.00 H new ATOM 0 HA SER A 79 -4.303 -20.121 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.604 -19.623 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.074 -21.294 -2.461 1.00 0.00 H new ATOM 0 HG SER A 79 -7.294 -20.031 -0.525 1.00 0.00 H new ATOM 1200 N SER A 80 -5.052 -23.133 -1.522 1.00 0.00 N ATOM 1201 CA SER A 80 -4.617 -24.179 -0.613 1.00 0.00 C ATOM 1202 C SER A 80 -4.398 -25.483 -1.383 1.00 0.00 C ATOM 1203 O SER A 80 -4.796 -25.599 -2.542 1.00 0.00 O ATOM 1204 CB SER A 80 -5.634 -24.391 0.510 1.00 0.00 C ATOM 1205 OG SER A 80 -5.041 -24.983 1.662 1.00 0.00 O ATOM 0 H SER A 80 -5.904 -23.346 -2.040 1.00 0.00 H new ATOM 0 HA SER A 80 -3.675 -23.869 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.078 -23.434 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.443 -25.027 0.151 1.00 0.00 H new ATOM 0 HG SER A 80 -5.722 -25.100 2.357 1.00 0.00 H new ATOM 1211 N GLY A 81 -3.766 -26.433 -0.709 1.00 0.00 N ATOM 1212 CA GLY A 81 -3.490 -27.724 -1.315 1.00 0.00 C ATOM 1213 C GLY A 81 -1.986 -27.930 -1.503 1.00 0.00 C ATOM 1214 O GLY A 81 -1.178 -27.255 -0.867 1.00 0.00 O ATOM 0 H GLY A 81 -3.437 -26.334 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.894 -28.518 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.994 -27.792 -2.279 1.00 0.00 H new TER 1218 GLY A 81