USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 316 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 52 SER OG : rot 11:sc= 1.26 USER MOD Set 1.2: A 54 THR OG1 : rot -21:sc= 0.873 USER MOD Set 2.1: A 43 ASN : amide:sc= 0.694 K(o=1.8,f=-1.7) USER MOD Set 2.2: A 44 GLN : amide:sc= 1.09 K(o=1.8,f=-1.7!) USER MOD Set 3.1: A 42 GLN : amide:sc= 0.141 K(o=3.1,f=-0.52!) USER MOD Set 3.2: A 48 SER OG : rot 79:sc= 1.2 USER MOD Set 3.3: A 53 THR OG1 : rot -66:sc= 1.75 USER MOD Single : A 1 ASP N :NH3+ -108:sc= 0.168 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 ASN : amide:sc= 0.195 X(o=0.19,f=-0.0021) USER MOD Single : A 8 ASN : amide:sc= -0.0893 K(o=-0.089,f=-3.3!) USER MOD Single : A 10 THR OG1 : rot 150:sc= 0.026 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 14 GLN : amide:sc= -1.96 K(o=-2,f=-4.2!) USER MOD Single : A 15 MET CE :methyl -118:sc=-0.00786 (180deg=-0.0253) USER MOD Single : A 16 GLN : amide:sc= 0.0863 X(o=0.086,f=-0.2) USER MOD Single : A 17 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= 0.352 (180deg=0.0553) USER MOD Single : A 19 ASN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0.794 (180deg=0.732) USER MOD Single : A 35 THR OG1 : rot -173:sc= -0.133 USER MOD Single : A 36 SER OG : rot -80:sc= 0.79! USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.577 K(o=0.58,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.586 -3.728 -11.475 1.00 0.00 N ATOM 2 CA ASP A 1 -7.626 -4.621 -10.848 1.00 0.00 C ATOM 3 C ASP A 1 -7.859 -6.047 -11.348 1.00 0.00 C ATOM 4 O ASP A 1 -8.864 -6.323 -12.002 1.00 0.00 O ATOM 5 CB ASP A 1 -7.787 -4.621 -9.327 1.00 0.00 C ATOM 6 CG ASP A 1 -8.971 -5.435 -8.802 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.089 -4.917 -8.659 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.707 -6.669 -8.530 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.100 -3.132 -12.175 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.323 -4.288 -11.949 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.023 -3.124 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.625 -4.274 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.872 -5.009 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.895 -3.591 -8.988 1.00 0.00 H new ATOM 13 N GLN A 2 -6.916 -6.918 -11.022 1.00 0.00 N ATOM 14 CA GLN A 2 -7.102 -8.342 -11.237 1.00 0.00 C ATOM 15 C GLN A 2 -6.496 -9.138 -10.080 1.00 0.00 C ATOM 16 O GLN A 2 -5.714 -10.063 -10.301 1.00 0.00 O ATOM 17 CB GLN A 2 -6.503 -8.777 -12.576 1.00 0.00 C ATOM 18 CG GLN A 2 -5.062 -8.285 -12.718 1.00 0.00 C ATOM 19 CD GLN A 2 -4.367 -8.960 -13.903 1.00 0.00 C ATOM 20 OE1 GLN A 2 -4.239 -8.402 -14.981 1.00 0.00 O ATOM 21 NE2 GLN A 2 -3.926 -10.187 -13.644 1.00 0.00 N ATOM 0 H GLN A 2 -6.018 -6.664 -10.609 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.172 -8.548 -11.271 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.529 -9.864 -12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.107 -8.384 -13.394 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.055 -7.204 -12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.511 -8.494 -11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.066 -10.595 -12.720 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.447 -10.721 -14.370 1.00 0.00 H new ATOM 28 N ASN A 3 -6.878 -8.750 -8.873 1.00 0.00 N ATOM 29 CA ASN A 3 -6.353 -9.394 -7.680 1.00 0.00 C ATOM 30 C ASN A 3 -7.198 -8.984 -6.471 1.00 0.00 C ATOM 31 O ASN A 3 -7.667 -9.837 -5.720 1.00 0.00 O ATOM 32 CB ASN A 3 -4.908 -8.966 -7.413 1.00 0.00 C ATOM 33 CG ASN A 3 -4.184 -9.995 -6.542 1.00 0.00 C ATOM 34 OD1 ASN A 3 -3.614 -10.961 -7.022 1.00 0.00 O ATOM 35 ND2 ASN A 3 -4.238 -9.734 -5.239 1.00 0.00 N ATOM 0 H ASN A 3 -7.544 -7.999 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.387 -10.472 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.379 -8.848 -8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.898 -7.994 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.785 -10.361 -4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.733 -8.907 -4.905 1.00 0.00 H new ATOM 40 N CYS A 4 -7.367 -7.678 -6.323 1.00 0.00 N ATOM 41 CA CYS A 4 -7.987 -7.135 -5.126 1.00 0.00 C ATOM 42 C CYS A 4 -8.776 -5.885 -5.519 1.00 0.00 C ATOM 43 O CYS A 4 -10.004 -5.920 -5.591 1.00 0.00 O ATOM 44 CB CYS A 4 -6.951 -6.838 -4.039 1.00 0.00 C ATOM 45 SG CYS A 4 -5.347 -6.211 -4.657 1.00 0.00 S ATOM 0 H CYS A 4 -7.086 -6.980 -7.012 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.666 -7.872 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.370 -6.106 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -6.773 -7.749 -3.468 1.00 0.00 H new ATOM 49 N ASP A 5 -8.040 -4.811 -5.762 1.00 0.00 N ATOM 50 CA ASP A 5 -8.615 -3.478 -5.692 1.00 0.00 C ATOM 51 C ASP A 5 -7.513 -2.440 -5.910 1.00 0.00 C ATOM 52 O ASP A 5 -7.714 -1.455 -6.619 1.00 0.00 O ATOM 53 CB ASP A 5 -9.243 -3.221 -4.321 1.00 0.00 C ATOM 54 CG ASP A 5 -10.719 -2.819 -4.350 1.00 0.00 C ATOM 55 OD1 ASP A 5 -11.065 -1.644 -4.158 1.00 0.00 O ATOM 56 OD2 ASP A 5 -11.542 -3.784 -4.586 1.00 0.00 O ATOM 0 H ASP A 5 -7.050 -4.836 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.384 -3.401 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.139 -4.122 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.678 -2.435 -3.821 1.00 0.00 H new ATOM 61 N ILE A 6 -6.372 -2.696 -5.286 1.00 0.00 N ATOM 62 CA ILE A 6 -5.267 -1.753 -5.330 1.00 0.00 C ATOM 63 C ILE A 6 -5.816 -0.327 -5.253 1.00 0.00 C ATOM 64 O ILE A 6 -5.989 0.332 -6.277 1.00 0.00 O ATOM 65 CB ILE A 6 -4.392 -2.009 -6.559 1.00 0.00 C ATOM 66 CG1 ILE A 6 -3.346 -0.905 -6.727 1.00 0.00 C ATOM 67 CG2 ILE A 6 -5.248 -2.183 -7.815 1.00 0.00 C ATOM 68 CD1 ILE A 6 -2.186 -1.378 -7.604 1.00 0.00 C ATOM 0 H ILE A 6 -6.189 -3.543 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.614 -1.891 -4.468 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.852 -2.943 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.809 -0.025 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.969 -0.605 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.601 -2.364 -8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.920 -3.031 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.833 -1.279 -7.985 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.457 -0.574 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.710 -2.243 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.563 -1.654 -8.589 1.00 0.00 H new ATOM 78 N GLY A 7 -6.075 0.108 -4.027 1.00 0.00 N ATOM 79 CA GLY A 7 -6.665 1.417 -3.808 1.00 0.00 C ATOM 80 C GLY A 7 -7.452 1.450 -2.496 1.00 0.00 C ATOM 81 O GLY A 7 -7.554 2.494 -1.855 1.00 0.00 O ATOM 0 H GLY A 7 -5.887 -0.423 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.881 2.174 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.325 1.666 -4.639 1.00 0.00 H new ATOM 85 N ASN A 8 -7.989 0.293 -2.136 1.00 0.00 N ATOM 86 CA ASN A 8 -8.998 0.228 -1.093 1.00 0.00 C ATOM 87 C ASN A 8 -8.380 0.661 0.238 1.00 0.00 C ATOM 88 O ASN A 8 -9.061 1.237 1.085 1.00 0.00 O ATOM 89 CB ASN A 8 -9.528 -1.197 -0.927 1.00 0.00 C ATOM 90 CG ASN A 8 -8.389 -2.176 -0.639 1.00 0.00 C ATOM 91 OD1 ASN A 8 -7.571 -2.484 -1.491 1.00 0.00 O ATOM 92 ND2 ASN A 8 -8.379 -2.646 0.605 1.00 0.00 N ATOM 0 H ASN A 8 -7.744 -0.607 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.818 0.887 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.252 -1.227 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.053 -1.501 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.657 -3.305 0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.093 -2.347 1.269 1.00 0.00 H new ATOM 97 N ILE A 9 -7.096 0.368 0.380 1.00 0.00 N ATOM 98 CA ILE A 9 -6.419 0.566 1.650 1.00 0.00 C ATOM 99 C ILE A 9 -5.782 1.957 1.673 1.00 0.00 C ATOM 100 O ILE A 9 -5.775 2.624 2.705 1.00 0.00 O ATOM 101 CB ILE A 9 -5.428 -0.570 1.913 1.00 0.00 C ATOM 102 CG1 ILE A 9 -4.453 -0.198 3.031 1.00 0.00 C ATOM 103 CG2 ILE A 9 -4.700 -0.969 0.627 1.00 0.00 C ATOM 104 CD1 ILE A 9 -3.225 0.523 2.472 1.00 0.00 C ATOM 0 H ILE A 9 -6.506 -0.005 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.134 0.530 2.472 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.988 -1.442 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.955 0.441 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.141 -1.098 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.001 -1.778 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.427 -1.303 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.153 -0.111 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.549 0.776 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.712 -0.128 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.538 1.435 1.965 1.00 0.00 H new ATOM 114 N THR A 10 -5.261 2.351 0.520 1.00 0.00 N ATOM 115 CA THR A 10 -4.495 3.583 0.428 1.00 0.00 C ATOM 116 C THR A 10 -5.419 4.796 0.566 1.00 0.00 C ATOM 117 O THR A 10 -5.028 5.815 1.133 1.00 0.00 O ATOM 118 CB THR A 10 -3.718 3.559 -0.889 1.00 0.00 C ATOM 119 OG1 THR A 10 -4.659 3.068 -1.840 1.00 0.00 O ATOM 120 CG2 THR A 10 -2.604 2.511 -0.893 1.00 0.00 C ATOM 0 H THR A 10 -5.354 1.840 -0.358 1.00 0.00 H new ATOM 0 HA THR A 10 -3.777 3.665 1.244 1.00 0.00 H new ATOM 0 HB THR A 10 -3.290 4.544 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.460 3.446 -2.722 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.084 2.536 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.898 2.727 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.035 1.522 -0.740 1.00 0.00 H new ATOM 128 N SER A 11 -6.625 4.645 0.039 1.00 0.00 N ATOM 129 CA SER A 11 -7.528 5.774 -0.098 1.00 0.00 C ATOM 130 C SER A 11 -7.530 6.602 1.189 1.00 0.00 C ATOM 131 O SER A 11 -7.448 7.828 1.143 1.00 0.00 O ATOM 132 CB SER A 11 -8.946 5.308 -0.432 1.00 0.00 C ATOM 133 OG SER A 11 -9.862 6.397 -0.510 1.00 0.00 O ATOM 0 H SER A 11 -6.998 3.757 -0.298 1.00 0.00 H new ATOM 0 HA SER A 11 -7.176 6.395 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.937 4.773 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.284 4.603 0.328 1.00 0.00 H new ATOM 0 HG SER A 11 -10.756 6.058 -0.727 1.00 0.00 H new ATOM 138 N GLN A 12 -7.625 5.897 2.307 1.00 0.00 N ATOM 139 CA GLN A 12 -7.703 6.554 3.601 1.00 0.00 C ATOM 140 C GLN A 12 -6.365 7.213 3.943 1.00 0.00 C ATOM 141 O GLN A 12 -6.332 8.285 4.544 1.00 0.00 O ATOM 142 CB GLN A 12 -8.124 5.567 4.692 1.00 0.00 C ATOM 143 CG GLN A 12 -8.469 6.300 5.990 1.00 0.00 C ATOM 144 CD GLN A 12 -9.141 5.358 6.990 1.00 0.00 C ATOM 145 OE1 GLN A 12 -9.230 4.158 6.788 1.00 0.00 O ATOM 146 NE2 GLN A 12 -9.610 5.965 8.076 1.00 0.00 N ATOM 0 H GLN A 12 -7.650 4.878 2.344 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.465 7.332 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.986 4.992 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.318 4.856 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.562 6.715 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.131 7.138 5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.502 6.974 8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.077 5.422 8.802 1.00 0.00 H new ATOM 153 N CYS A 13 -5.293 6.543 3.545 1.00 0.00 N ATOM 154 CA CYS A 13 -3.959 6.970 3.929 1.00 0.00 C ATOM 155 C CYS A 13 -3.597 8.209 3.107 1.00 0.00 C ATOM 156 O CYS A 13 -2.848 9.069 3.571 1.00 0.00 O ATOM 157 CB CYS A 13 -2.933 5.849 3.751 1.00 0.00 C ATOM 158 SG CYS A 13 -3.461 4.218 4.393 1.00 0.00 S ATOM 0 H CYS A 13 -5.322 5.708 2.961 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.946 7.221 4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.704 5.750 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.009 6.139 4.251 1.00 0.00 H new ATOM 162 N GLN A 14 -4.144 8.261 1.902 1.00 0.00 N ATOM 163 CA GLN A 14 -3.832 9.345 0.986 1.00 0.00 C ATOM 164 C GLN A 14 -4.314 10.679 1.558 1.00 0.00 C ATOM 165 O GLN A 14 -3.640 11.699 1.418 1.00 0.00 O ATOM 166 CB GLN A 14 -4.441 9.089 -0.395 1.00 0.00 C ATOM 167 CG GLN A 14 -3.929 7.773 -0.984 1.00 0.00 C ATOM 168 CD GLN A 14 -2.495 7.491 -0.530 1.00 0.00 C ATOM 169 OE1 GLN A 14 -2.245 6.706 0.370 1.00 0.00 O ATOM 170 NE2 GLN A 14 -1.571 8.172 -1.202 1.00 0.00 N ATOM 0 H GLN A 14 -4.801 7.571 1.539 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.750 9.393 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.528 9.058 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.192 9.912 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.580 6.955 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.968 7.818 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.850 8.813 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.584 8.053 -0.975 1.00 0.00 H new ATOM 177 N MET A 15 -5.477 10.630 2.190 1.00 0.00 N ATOM 178 CA MET A 15 -6.101 11.837 2.706 1.00 0.00 C ATOM 179 C MET A 15 -5.518 12.216 4.069 1.00 0.00 C ATOM 180 O MET A 15 -5.703 13.339 4.536 1.00 0.00 O ATOM 181 CB MET A 15 -7.609 11.617 2.838 1.00 0.00 C ATOM 182 CG MET A 15 -8.242 11.325 1.476 1.00 0.00 C ATOM 183 SD MET A 15 -10.021 11.300 1.622 1.00 0.00 S ATOM 184 CE MET A 15 -10.253 9.662 2.293 1.00 0.00 C ATOM 0 H MET A 15 -6.004 9.773 2.357 1.00 0.00 H new ATOM 0 HA MET A 15 -5.904 12.651 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.801 10.787 3.518 1.00 0.00 H new ATOM 0 HB3 MET A 15 -8.072 12.501 3.276 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.939 12.084 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.886 10.366 1.099 1.00 0.00 H new ATOM 0 HE1 MET A 15 -10.842 9.064 1.597 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.282 9.190 2.446 1.00 0.00 H new ATOM 0 HE3 MET A 15 -10.777 9.730 3.246 1.00 0.00 H new ATOM 192 N GLN A 16 -4.826 11.258 4.668 1.00 0.00 N ATOM 193 CA GLN A 16 -4.447 11.372 6.066 1.00 0.00 C ATOM 194 C GLN A 16 -3.280 12.351 6.221 1.00 0.00 C ATOM 195 O GLN A 16 -3.318 13.237 7.072 1.00 0.00 O ATOM 196 CB GLN A 16 -4.094 10.004 6.651 1.00 0.00 C ATOM 197 CG GLN A 16 -3.737 10.117 8.134 1.00 0.00 C ATOM 198 CD GLN A 16 -4.922 10.645 8.945 1.00 0.00 C ATOM 199 OE1 GLN A 16 -5.814 9.912 9.339 1.00 0.00 O ATOM 200 NE2 GLN A 16 -4.881 11.955 9.172 1.00 0.00 N ATOM 0 H GLN A 16 -4.518 10.400 4.211 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.300 11.761 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.936 9.323 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.255 9.576 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.437 9.141 8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.883 10.783 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.105 12.511 8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.626 12.404 9.705 1.00 0.00 H new ATOM 207 N HIS A 17 -2.271 12.156 5.385 1.00 0.00 N ATOM 208 CA HIS A 17 -0.987 12.803 5.597 1.00 0.00 C ATOM 209 C HIS A 17 -0.146 12.707 4.323 1.00 0.00 C ATOM 210 O HIS A 17 1.071 12.540 4.390 1.00 0.00 O ATOM 211 CB HIS A 17 -0.280 12.218 6.821 1.00 0.00 C ATOM 212 CG HIS A 17 -0.307 10.710 6.883 1.00 0.00 C ATOM 213 ND1 HIS A 17 -0.241 10.007 8.073 1.00 0.00 N ATOM 214 CD2 HIS A 17 -0.394 9.778 5.891 1.00 0.00 C ATOM 215 CE1 HIS A 17 -0.286 8.713 7.798 1.00 0.00 C ATOM 216 NE2 HIS A 17 -0.381 8.573 6.445 1.00 0.00 N ATOM 0 H HIS A 17 -2.316 11.559 4.559 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.140 13.861 5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.757 12.553 6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.746 12.617 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.462 9.986 4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.253 7.909 8.519 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.433 7.687 5.942 1.00 0.00 H new ATOM 223 N LYS A 18 -0.828 12.815 3.193 1.00 0.00 N ATOM 224 CA LYS A 18 -0.227 12.459 1.918 1.00 0.00 C ATOM 225 C LYS A 18 -0.492 13.574 0.905 1.00 0.00 C ATOM 226 O LYS A 18 -1.513 13.565 0.218 1.00 0.00 O ATOM 227 CB LYS A 18 -0.716 11.083 1.461 1.00 0.00 C ATOM 228 CG LYS A 18 0.456 10.114 1.290 1.00 0.00 C ATOM 229 CD LYS A 18 1.255 10.437 0.025 1.00 0.00 C ATOM 230 CE LYS A 18 2.505 9.561 -0.073 1.00 0.00 C ATOM 231 NZ LYS A 18 2.570 8.896 -1.393 1.00 0.00 N ATOM 0 H LYS A 18 -1.792 13.144 3.133 1.00 0.00 H new ATOM 0 HA LYS A 18 0.855 12.370 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.420 10.683 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.254 11.179 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.109 10.170 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.082 9.091 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.629 10.283 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.543 11.488 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.396 10.170 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.494 8.811 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.531 8.532 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.892 8.107 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.332 9.581 -2.139 1.00 0.00 H new ATOM 240 N ASN A 19 0.445 14.509 0.843 1.00 0.00 N ATOM 241 CA ASN A 19 0.258 15.703 0.037 1.00 0.00 C ATOM 242 C ASN A 19 0.201 15.312 -1.441 1.00 0.00 C ATOM 243 O ASN A 19 -0.511 15.937 -2.226 1.00 0.00 O ATOM 244 CB ASN A 19 1.422 16.680 0.222 1.00 0.00 C ATOM 245 CG ASN A 19 1.040 18.083 -0.253 1.00 0.00 C ATOM 246 OD1 ASN A 19 0.555 18.911 0.501 1.00 0.00 O ATOM 247 ND2 ASN A 19 1.284 18.304 -1.541 1.00 0.00 N ATOM 0 H ASN A 19 1.336 14.464 1.338 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.669 16.181 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.710 16.714 1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.290 16.327 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.064 19.210 -1.954 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.692 17.567 -2.117 1.00 0.00 H new ATOM 252 N CYS A 20 0.961 14.279 -1.777 1.00 0.00 N ATOM 253 CA CYS A 20 1.037 13.821 -3.154 1.00 0.00 C ATOM 254 C CYS A 20 -0.276 13.117 -3.499 1.00 0.00 C ATOM 255 O CYS A 20 -0.769 13.228 -4.621 1.00 0.00 O ATOM 256 CB CYS A 20 2.249 12.915 -3.383 1.00 0.00 C ATOM 257 SG CYS A 20 3.858 13.655 -2.924 1.00 0.00 S ATOM 0 H CYS A 20 1.530 13.746 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 20 1.175 14.675 -3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.111 11.997 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.281 12.634 -4.436 1.00 0.00 H new ATOM 261 N GLU A 21 -0.807 12.406 -2.514 1.00 0.00 N ATOM 262 CA GLU A 21 -2.113 11.788 -2.658 1.00 0.00 C ATOM 263 C GLU A 21 -2.079 10.720 -3.753 1.00 0.00 C ATOM 264 O GLU A 21 -2.997 10.630 -4.566 1.00 0.00 O ATOM 265 CB GLU A 21 -3.188 12.837 -2.949 1.00 0.00 C ATOM 266 CG GLU A 21 -4.560 12.366 -2.466 1.00 0.00 C ATOM 267 CD GLU A 21 -5.647 13.385 -2.819 1.00 0.00 C ATOM 268 OE1 GLU A 21 -5.349 14.419 -3.435 1.00 0.00 O ATOM 269 OE2 GLU A 21 -6.836 13.070 -2.431 1.00 0.00 O ATOM 0 H GLU A 21 -0.356 12.245 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.369 11.305 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.928 13.775 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.225 13.037 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.798 11.404 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.537 12.213 -1.387 1.00 0.00 H new ATOM 275 N ASP A 22 -1.009 9.938 -3.738 1.00 0.00 N ATOM 276 CA ASP A 22 -0.907 8.794 -4.628 1.00 0.00 C ATOM 277 C ASP A 22 -0.111 7.686 -3.937 1.00 0.00 C ATOM 278 O ASP A 22 0.554 7.928 -2.931 1.00 0.00 O ATOM 279 CB ASP A 22 -0.177 9.165 -5.920 1.00 0.00 C ATOM 280 CG ASP A 22 -0.325 10.626 -6.351 1.00 0.00 C ATOM 281 OD1 ASP A 22 0.634 11.410 -6.291 1.00 0.00 O ATOM 282 OD2 ASP A 22 -1.501 10.956 -6.766 1.00 0.00 O ATOM 0 H ASP A 22 -0.206 10.074 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.917 8.461 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.883 8.944 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.544 8.526 -6.723 1.00 0.00 H new ATOM 287 N ALA A 23 -0.204 6.492 -4.505 1.00 0.00 N ATOM 288 CA ALA A 23 0.800 5.469 -4.266 1.00 0.00 C ATOM 289 C ALA A 23 1.861 5.534 -5.366 1.00 0.00 C ATOM 290 O ALA A 23 1.762 6.351 -6.281 1.00 0.00 O ATOM 291 CB ALA A 23 0.125 4.098 -4.187 1.00 0.00 C ATOM 0 H ALA A 23 -0.959 6.210 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 23 1.302 5.640 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.879 3.331 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.597 4.095 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.388 3.890 -5.126 1.00 0.00 H new ATOM 297 N ASN A 24 2.851 4.663 -5.241 1.00 0.00 N ATOM 298 CA ASN A 24 3.855 4.518 -6.282 1.00 0.00 C ATOM 299 C ASN A 24 4.649 5.821 -6.404 1.00 0.00 C ATOM 300 O ASN A 24 5.257 6.087 -7.439 1.00 0.00 O ATOM 301 CB ASN A 24 3.207 4.231 -7.637 1.00 0.00 C ATOM 302 CG ASN A 24 1.922 3.418 -7.469 1.00 0.00 C ATOM 303 OD1 ASN A 24 1.939 2.245 -7.133 1.00 0.00 O ATOM 304 ND2 ASN A 24 0.811 4.104 -7.722 1.00 0.00 N ATOM 0 H ASN A 24 2.980 4.051 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 24 4.504 3.686 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.984 5.170 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.907 3.685 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.099 3.650 -7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.869 5.084 -7.999 1.00 0.00 H new ATOM 309 N GLY A 25 4.618 6.597 -5.331 1.00 0.00 N ATOM 310 CA GLY A 25 5.380 7.833 -5.279 1.00 0.00 C ATOM 311 C GLY A 25 5.292 8.474 -3.893 1.00 0.00 C ATOM 312 O GLY A 25 4.372 8.187 -3.129 1.00 0.00 O ATOM 0 H GLY A 25 4.077 6.394 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.423 7.632 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.004 8.528 -6.030 1.00 0.00 H new ATOM 316 N CYS A 26 6.263 9.331 -3.610 1.00 0.00 N ATOM 317 CA CYS A 26 6.339 9.972 -2.309 1.00 0.00 C ATOM 318 C CYS A 26 6.215 8.891 -1.233 1.00 0.00 C ATOM 319 O CYS A 26 5.576 9.105 -0.204 1.00 0.00 O ATOM 320 CB CYS A 26 5.275 11.059 -2.149 1.00 0.00 C ATOM 321 SG CYS A 26 5.257 12.314 -3.482 1.00 0.00 S ATOM 0 H CYS A 26 7.003 9.596 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 26 7.299 10.478 -2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.295 10.585 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.431 11.564 -1.196 1.00 0.00 H new ATOM 325 N ASP A 27 6.835 7.753 -1.508 1.00 0.00 N ATOM 326 CA ASP A 27 6.496 6.526 -0.807 1.00 0.00 C ATOM 327 C ASP A 27 7.199 6.509 0.552 1.00 0.00 C ATOM 328 O ASP A 27 8.135 5.738 0.760 1.00 0.00 O ATOM 329 CB ASP A 27 6.955 5.297 -1.593 1.00 0.00 C ATOM 330 CG ASP A 27 6.493 3.954 -1.022 1.00 0.00 C ATOM 331 OD1 ASP A 27 5.344 3.535 -1.226 1.00 0.00 O ATOM 332 OD2 ASP A 27 7.380 3.320 -0.333 1.00 0.00 O ATOM 0 H ASP A 27 7.571 7.655 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 27 5.413 6.494 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.592 5.383 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.044 5.300 -1.639 1.00 0.00 H new ATOM 337 N THR A 28 6.723 7.369 1.440 1.00 0.00 N ATOM 338 CA THR A 28 7.310 7.479 2.764 1.00 0.00 C ATOM 339 C THR A 28 6.290 7.089 3.836 1.00 0.00 C ATOM 340 O THR A 28 6.497 6.129 4.576 1.00 0.00 O ATOM 341 CB THR A 28 7.847 8.902 2.926 1.00 0.00 C ATOM 342 OG1 THR A 28 9.022 8.925 2.121 1.00 0.00 O ATOM 343 CG2 THR A 28 8.360 9.178 4.341 1.00 0.00 C ATOM 0 H THR A 28 5.937 7.996 1.268 1.00 0.00 H new ATOM 0 HA THR A 28 8.142 6.786 2.886 1.00 0.00 H new ATOM 0 HB THR A 28 7.061 9.615 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.433 9.813 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.730 10.202 4.401 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.548 9.043 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.169 8.486 4.576 1.00 0.00 H new ATOM 351 N ILE A 29 5.209 7.852 3.883 1.00 0.00 N ATOM 352 CA ILE A 29 4.255 7.733 4.973 1.00 0.00 C ATOM 353 C ILE A 29 3.188 6.703 4.600 1.00 0.00 C ATOM 354 O ILE A 29 2.626 6.041 5.472 1.00 0.00 O ATOM 355 CB ILE A 29 3.684 9.105 5.339 1.00 0.00 C ATOM 356 CG1 ILE A 29 3.134 9.107 6.767 1.00 0.00 C ATOM 357 CG2 ILE A 29 2.634 9.552 4.320 1.00 0.00 C ATOM 358 CD1 ILE A 29 4.266 9.231 7.790 1.00 0.00 C ATOM 0 H ILE A 29 4.972 8.556 3.184 1.00 0.00 H new ATOM 0 HA ILE A 29 4.750 7.369 5.874 1.00 0.00 H new ATOM 0 HB ILE A 29 4.495 9.832 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.435 9.934 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.575 8.188 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.245 10.530 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.090 9.616 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.818 8.829 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.848 9.230 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.950 8.389 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.807 10.162 7.623 1.00 0.00 H new ATOM 368 N ILE A 30 2.938 6.600 3.302 1.00 0.00 N ATOM 369 CA ILE A 30 2.078 5.547 2.787 1.00 0.00 C ATOM 370 C ILE A 30 2.756 4.192 3.000 1.00 0.00 C ATOM 371 O ILE A 30 2.082 3.170 3.126 1.00 0.00 O ATOM 372 CB ILE A 30 1.705 5.826 1.331 1.00 0.00 C ATOM 373 CG1 ILE A 30 0.473 5.020 0.916 1.00 0.00 C ATOM 374 CG2 ILE A 30 2.894 5.572 0.401 1.00 0.00 C ATOM 375 CD1 ILE A 30 0.245 5.101 -0.595 1.00 0.00 C ATOM 0 H ILE A 30 3.316 7.228 2.592 1.00 0.00 H new ATOM 0 HA ILE A 30 1.136 5.522 3.334 1.00 0.00 H new ATOM 0 HB ILE A 30 1.446 6.881 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.599 3.979 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.405 5.397 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.601 5.778 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.721 6.225 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.208 4.532 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.637 4.519 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.095 6.141 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.115 4.701 -1.116 1.00 0.00 H new ATOM 385 N GLU A 31 4.080 4.226 3.035 1.00 0.00 N ATOM 386 CA GLU A 31 4.865 3.014 2.880 1.00 0.00 C ATOM 387 C GLU A 31 4.417 1.959 3.894 1.00 0.00 C ATOM 388 O GLU A 31 4.247 0.792 3.547 1.00 0.00 O ATOM 389 CB GLU A 31 6.360 3.307 3.016 1.00 0.00 C ATOM 390 CG GLU A 31 7.194 2.064 2.697 1.00 0.00 C ATOM 391 CD GLU A 31 8.684 2.406 2.634 1.00 0.00 C ATOM 392 OE1 GLU A 31 9.459 1.958 3.493 1.00 0.00 O ATOM 393 OE2 GLU A 31 9.029 3.164 1.650 1.00 0.00 O ATOM 0 H GLU A 31 4.629 5.075 3.169 1.00 0.00 H new ATOM 0 HA GLU A 31 4.697 2.621 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.638 4.118 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.577 3.645 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.024 1.302 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.874 1.641 1.745 1.00 0.00 H new ATOM 399 N GLU A 32 4.241 2.408 5.127 1.00 0.00 N ATOM 400 CA GLU A 32 3.833 1.515 6.198 1.00 0.00 C ATOM 401 C GLU A 32 2.339 1.202 6.088 1.00 0.00 C ATOM 402 O GLU A 32 1.905 0.100 6.419 1.00 0.00 O ATOM 403 CB GLU A 32 4.169 2.108 7.568 1.00 0.00 C ATOM 404 CG GLU A 32 3.779 1.147 8.692 1.00 0.00 C ATOM 405 CD GLU A 32 4.486 -0.200 8.533 1.00 0.00 C ATOM 406 OE1 GLU A 32 5.697 -0.297 8.778 1.00 0.00 O ATOM 407 OE2 GLU A 32 3.730 -1.169 8.139 1.00 0.00 O ATOM 0 H GLU A 32 4.373 3.379 5.409 1.00 0.00 H new ATOM 0 HA GLU A 32 4.389 0.583 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.236 2.324 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.645 3.055 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.037 1.586 9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.699 0.997 8.689 1.00 0.00 H new ATOM 413 N CYS A 33 1.593 2.193 5.621 1.00 0.00 N ATOM 414 CA CYS A 33 0.160 2.031 5.439 1.00 0.00 C ATOM 415 C CYS A 33 -0.068 1.020 4.313 1.00 0.00 C ATOM 416 O CYS A 33 -1.066 0.300 4.314 1.00 0.00 O ATOM 417 CB CYS A 33 -0.529 3.366 5.156 1.00 0.00 C ATOM 418 SG CYS A 33 -2.261 3.474 5.737 1.00 0.00 S ATOM 0 H CYS A 33 1.954 3.111 5.363 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.287 1.656 6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.047 4.163 5.626 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.509 3.549 4.082 1.00 0.00 H new ATOM 422 N LYS A 34 0.872 0.998 3.380 1.00 0.00 N ATOM 423 CA LYS A 34 0.642 0.350 2.100 1.00 0.00 C ATOM 424 C LYS A 34 0.751 -1.167 2.276 1.00 0.00 C ATOM 425 O LYS A 34 -0.240 -1.883 2.141 1.00 0.00 O ATOM 426 CB LYS A 34 1.583 0.916 1.036 1.00 0.00 C ATOM 427 CG LYS A 34 1.238 0.365 -0.350 1.00 0.00 C ATOM 428 CD LYS A 34 2.235 0.859 -1.400 1.00 0.00 C ATOM 429 CE LYS A 34 3.447 -0.071 -1.485 1.00 0.00 C ATOM 430 NZ LYS A 34 4.458 0.479 -2.416 1.00 0.00 N ATOM 0 H LYS A 34 1.795 1.419 3.485 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.366 0.558 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.515 2.004 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.614 0.664 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.242 -0.725 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.230 0.673 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.746 0.915 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.563 1.868 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.886 -0.197 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.132 -1.058 -1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.333 -0.079 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.094 0.435 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.659 1.468 -2.166 1.00 0.00 H new ATOM 439 N THR A 35 1.964 -1.610 2.574 1.00 0.00 N ATOM 440 CA THR A 35 2.287 -3.023 2.483 1.00 0.00 C ATOM 441 C THR A 35 1.395 -3.836 3.424 1.00 0.00 C ATOM 442 O THR A 35 1.242 -5.043 3.251 1.00 0.00 O ATOM 443 CB THR A 35 3.781 -3.186 2.770 1.00 0.00 C ATOM 444 OG1 THR A 35 4.416 -2.701 1.590 1.00 0.00 O ATOM 445 CG2 THR A 35 4.205 -4.654 2.847 1.00 0.00 C ATOM 0 H THR A 35 2.734 -1.015 2.879 1.00 0.00 H new ATOM 0 HA THR A 35 2.089 -3.410 1.483 1.00 0.00 H new ATOM 0 HB THR A 35 4.027 -2.688 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.380 -2.871 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.274 -4.714 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.654 -5.151 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.990 -5.145 1.898 1.00 0.00 H new ATOM 453 N SER A 36 0.828 -3.140 4.399 1.00 0.00 N ATOM 454 CA SER A 36 -0.135 -3.755 5.295 1.00 0.00 C ATOM 455 C SER A 36 -1.017 -4.737 4.523 1.00 0.00 C ATOM 456 O SER A 36 -0.893 -5.950 4.688 1.00 0.00 O ATOM 457 CB SER A 36 -0.999 -2.697 5.985 1.00 0.00 C ATOM 458 OG SER A 36 -1.912 -2.080 5.082 1.00 0.00 O ATOM 0 H SER A 36 1.018 -2.156 4.587 1.00 0.00 H new ATOM 0 HA SER A 36 0.414 -4.297 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.554 -3.159 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.356 -1.936 6.427 1.00 0.00 H new ATOM 0 HG SER A 36 -1.442 -1.399 4.556 1.00 0.00 H new ATOM 463 N MET A 37 -1.887 -4.177 3.695 1.00 0.00 N ATOM 464 CA MET A 37 -2.831 -4.986 2.943 1.00 0.00 C ATOM 465 C MET A 37 -2.268 -5.350 1.567 1.00 0.00 C ATOM 466 O MET A 37 -2.683 -6.338 0.965 1.00 0.00 O ATOM 467 CB MET A 37 -4.140 -4.214 2.770 1.00 0.00 C ATOM 468 CG MET A 37 -4.839 -4.012 4.116 1.00 0.00 C ATOM 469 SD MET A 37 -5.510 -5.562 4.694 1.00 0.00 S ATOM 470 CE MET A 37 -4.554 -5.777 6.185 1.00 0.00 C ATOM 0 H MET A 37 -1.958 -3.173 3.529 1.00 0.00 H new ATOM 0 HA MET A 37 -3.012 -5.908 3.496 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.938 -3.246 2.312 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.799 -4.756 2.092 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.133 -3.617 4.846 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.637 -3.276 4.014 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.848 -6.705 6.675 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.494 -5.819 5.935 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.735 -4.938 6.857 1.00 0.00 H new ATOM 478 N VAL A 38 -1.330 -4.533 1.113 1.00 0.00 N ATOM 479 CA VAL A 38 -0.916 -4.570 -0.280 1.00 0.00 C ATOM 480 C VAL A 38 0.051 -5.738 -0.489 1.00 0.00 C ATOM 481 O VAL A 38 0.433 -6.038 -1.619 1.00 0.00 O ATOM 482 CB VAL A 38 -0.319 -3.222 -0.685 1.00 0.00 C ATOM 483 CG1 VAL A 38 0.402 -3.322 -2.031 1.00 0.00 C ATOM 484 CG2 VAL A 38 -1.397 -2.135 -0.722 1.00 0.00 C ATOM 0 H VAL A 38 -0.845 -3.841 1.684 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.775 -4.738 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 38 0.417 -2.942 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.817 -2.349 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.208 -4.053 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.304 -3.636 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.947 -1.186 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.165 -2.409 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.847 -2.036 0.266 1.00 0.00 H new ATOM 494 N GLU A 39 0.419 -6.365 0.619 1.00 0.00 N ATOM 495 CA GLU A 39 1.252 -7.554 0.564 1.00 0.00 C ATOM 496 C GLU A 39 0.607 -8.614 -0.331 1.00 0.00 C ATOM 497 O GLU A 39 1.301 -9.336 -1.044 1.00 0.00 O ATOM 498 CB GLU A 39 1.513 -8.106 1.967 1.00 0.00 C ATOM 499 CG GLU A 39 2.780 -8.962 1.992 1.00 0.00 C ATOM 500 CD GLU A 39 4.034 -8.086 2.029 1.00 0.00 C ATOM 501 OE1 GLU A 39 4.601 -7.859 3.108 1.00 0.00 O ATOM 502 OE2 GLU A 39 4.416 -7.634 0.883 1.00 0.00 O ATOM 0 H GLU A 39 0.155 -6.072 1.560 1.00 0.00 H new ATOM 0 HA GLU A 39 2.214 -7.279 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.613 -7.282 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.660 -8.702 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.764 -9.616 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.807 -9.604 1.112 1.00 0.00 H new ATOM 508 N ARG A 40 -0.716 -8.673 -0.265 1.00 0.00 N ATOM 509 CA ARG A 40 -1.462 -9.644 -1.047 1.00 0.00 C ATOM 510 C ARG A 40 -1.800 -9.069 -2.424 1.00 0.00 C ATOM 511 O ARG A 40 -2.220 -9.801 -3.319 1.00 0.00 O ATOM 512 CB ARG A 40 -2.755 -10.046 -0.337 1.00 0.00 C ATOM 513 CG ARG A 40 -3.787 -8.917 -0.398 1.00 0.00 C ATOM 514 CD ARG A 40 -4.932 -9.272 -1.350 1.00 0.00 C ATOM 515 NE ARG A 40 -5.707 -10.410 -0.806 1.00 0.00 N ATOM 516 CZ ARG A 40 -6.627 -11.104 -1.510 1.00 0.00 C ATOM 517 NH1 ARG A 40 -6.911 -10.767 -2.786 1.00 0.00 N ATOM 518 NH2 ARG A 40 -7.244 -12.117 -0.932 1.00 0.00 N ATOM 0 H ARG A 40 -1.290 -8.064 0.318 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.836 -10.529 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.165 -10.944 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.542 -10.293 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.184 -8.728 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.306 -7.997 -0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.584 -8.409 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.534 -9.528 -2.332 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.535 -10.687 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.429 -9.983 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.607 -11.297 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.023 -12.365 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.942 -12.652 -1.450 1.00 0.00 H new ATOM 528 N CYS A 41 -1.604 -7.765 -2.549 1.00 0.00 N ATOM 529 CA CYS A 41 -1.769 -7.104 -3.833 1.00 0.00 C ATOM 530 C CYS A 41 -0.381 -6.847 -4.423 1.00 0.00 C ATOM 531 O CYS A 41 -0.226 -6.013 -5.313 1.00 0.00 O ATOM 532 CB CYS A 41 -2.582 -5.815 -3.704 1.00 0.00 C ATOM 533 SG CYS A 41 -4.237 -6.022 -2.950 1.00 0.00 S ATOM 0 H CYS A 41 -1.333 -7.148 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.335 -7.747 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.013 -5.102 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.702 -5.377 -4.695 1.00 0.00 H new ATOM 537 N GLN A 42 0.593 -7.580 -3.903 1.00 0.00 N ATOM 538 CA GLN A 42 1.982 -7.329 -4.245 1.00 0.00 C ATOM 539 C GLN A 42 2.167 -7.349 -5.764 1.00 0.00 C ATOM 540 O GLN A 42 2.990 -6.611 -6.302 1.00 0.00 O ATOM 541 CB GLN A 42 2.905 -8.344 -3.568 1.00 0.00 C ATOM 542 CG GLN A 42 4.368 -8.084 -3.934 1.00 0.00 C ATOM 543 CD GLN A 42 5.310 -8.691 -2.893 1.00 0.00 C ATOM 544 OE1 GLN A 42 6.094 -9.584 -3.172 1.00 0.00 O ATOM 545 NE2 GLN A 42 5.191 -8.158 -1.680 1.00 0.00 N ATOM 0 H GLN A 42 0.447 -8.348 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 42 2.253 -6.339 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.782 -8.288 -2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.625 -9.353 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.582 -8.509 -4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.543 -7.011 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.514 -7.413 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.776 -8.494 -0.915 1.00 0.00 H new ATOM 552 N ASN A 43 1.387 -8.201 -6.413 1.00 0.00 N ATOM 553 CA ASN A 43 1.411 -8.284 -7.863 1.00 0.00 C ATOM 554 C ASN A 43 1.075 -6.914 -8.453 1.00 0.00 C ATOM 555 O ASN A 43 1.795 -6.410 -9.314 1.00 0.00 O ATOM 556 CB ASN A 43 0.376 -9.287 -8.374 1.00 0.00 C ATOM 557 CG ASN A 43 0.390 -9.359 -9.903 1.00 0.00 C ATOM 558 OD1 ASN A 43 -0.433 -8.771 -10.585 1.00 0.00 O ATOM 559 ND2 ASN A 43 1.368 -10.110 -10.400 1.00 0.00 N ATOM 0 H ASN A 43 0.734 -8.840 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 43 2.407 -8.608 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.584 -10.273 -7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.617 -8.998 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.463 -10.221 -11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.023 -10.575 -9.772 1.00 0.00 H new ATOM 564 N GLN A 44 -0.022 -6.349 -7.968 1.00 0.00 N ATOM 565 CA GLN A 44 -0.667 -5.249 -8.663 1.00 0.00 C ATOM 566 C GLN A 44 0.098 -3.946 -8.422 1.00 0.00 C ATOM 567 O GLN A 44 0.367 -3.197 -9.360 1.00 0.00 O ATOM 568 CB GLN A 44 -2.130 -5.112 -8.234 1.00 0.00 C ATOM 569 CG GLN A 44 -2.949 -6.324 -8.685 1.00 0.00 C ATOM 570 CD GLN A 44 -3.317 -6.216 -10.167 1.00 0.00 C ATOM 571 OE1 GLN A 44 -4.320 -5.633 -10.542 1.00 0.00 O ATOM 572 NE2 GLN A 44 -2.452 -6.811 -10.983 1.00 0.00 N ATOM 0 H GLN A 44 -0.480 -6.633 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.653 -5.463 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.187 -5.013 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.554 -4.203 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.379 -7.237 -8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.856 -6.398 -8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.632 -7.282 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.609 -6.797 -11.991 1.00 0.00 H new ATOM 579 N GLU A 45 0.428 -3.715 -7.160 1.00 0.00 N ATOM 580 CA GLU A 45 1.127 -2.500 -6.779 1.00 0.00 C ATOM 581 C GLU A 45 2.640 -2.708 -6.868 1.00 0.00 C ATOM 582 O GLU A 45 3.412 -1.901 -6.351 1.00 0.00 O ATOM 583 CB GLU A 45 0.717 -2.049 -5.376 1.00 0.00 C ATOM 584 CG GLU A 45 1.120 -0.594 -5.127 1.00 0.00 C ATOM 585 CD GLU A 45 -0.048 0.208 -4.552 1.00 0.00 C ATOM 586 OE1 GLU A 45 -0.571 1.112 -5.221 1.00 0.00 O ATOM 587 OE2 GLU A 45 -0.412 -0.135 -3.362 1.00 0.00 O ATOM 0 H GLU A 45 0.224 -4.349 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 45 0.847 -1.709 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.361 -2.157 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.186 -2.692 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.964 -0.560 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.453 -0.140 -6.061 1.00 0.00 H new ATOM 593 N PHE A 46 3.019 -3.794 -7.526 1.00 0.00 N ATOM 594 CA PHE A 46 4.420 -4.172 -7.601 1.00 0.00 C ATOM 595 C PHE A 46 5.164 -3.774 -6.325 1.00 0.00 C ATOM 596 O PHE A 46 6.176 -3.077 -6.385 1.00 0.00 O ATOM 597 CB PHE A 46 5.024 -3.418 -8.787 1.00 0.00 C ATOM 598 CG PHE A 46 4.492 -1.994 -8.955 1.00 0.00 C ATOM 599 CD1 PHE A 46 3.355 -1.772 -9.666 1.00 0.00 C ATOM 600 CD2 PHE A 46 5.158 -0.949 -8.394 1.00 0.00 C ATOM 601 CE1 PHE A 46 2.861 -0.450 -9.822 1.00 0.00 C ATOM 602 CE2 PHE A 46 4.665 0.374 -8.549 1.00 0.00 C ATOM 603 CZ PHE A 46 3.527 0.595 -9.260 1.00 0.00 C ATOM 0 H PHE A 46 2.380 -4.424 -8.012 1.00 0.00 H new ATOM 0 HA PHE A 46 4.508 -5.252 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.107 -3.379 -8.666 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.826 -3.979 -9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.827 -2.602 -10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.062 -1.125 -7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.957 -0.274 -10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.193 1.204 -8.103 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.152 1.601 -9.379 1.00 0.00 H new ATOM 612 N GLU A 47 4.635 -4.234 -5.201 1.00 0.00 N ATOM 613 CA GLU A 47 5.207 -3.892 -3.910 1.00 0.00 C ATOM 614 C GLU A 47 6.613 -4.482 -3.779 1.00 0.00 C ATOM 615 O GLU A 47 7.428 -3.987 -3.002 1.00 0.00 O ATOM 616 CB GLU A 47 4.305 -4.366 -2.768 1.00 0.00 C ATOM 617 CG GLU A 47 4.575 -3.569 -1.491 1.00 0.00 C ATOM 618 CD GLU A 47 5.675 -4.228 -0.655 1.00 0.00 C ATOM 619 OE1 GLU A 47 5.607 -5.436 -0.383 1.00 0.00 O ATOM 620 OE2 GLU A 47 6.626 -3.438 -0.286 1.00 0.00 O ATOM 0 H GLU A 47 3.816 -4.841 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 47 5.282 -2.807 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.259 -4.256 -3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.474 -5.427 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.869 -2.552 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.660 -3.497 -0.903 1.00 0.00 H new ATOM 626 N SER A 48 6.854 -5.531 -4.552 1.00 0.00 N ATOM 627 CA SER A 48 8.144 -6.200 -4.524 1.00 0.00 C ATOM 628 C SER A 48 9.226 -5.271 -5.079 1.00 0.00 C ATOM 629 O SER A 48 10.402 -5.414 -4.748 1.00 0.00 O ATOM 630 CB SER A 48 8.105 -7.504 -5.321 1.00 0.00 C ATOM 631 OG SER A 48 9.308 -8.253 -5.178 1.00 0.00 O ATOM 0 H SER A 48 6.178 -5.934 -5.201 1.00 0.00 H new ATOM 0 HA SER A 48 8.380 -6.446 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.261 -8.107 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.941 -7.280 -6.375 1.00 0.00 H new ATOM 0 HG SER A 48 9.296 -8.730 -4.322 1.00 0.00 H new ATOM 636 N ALA A 49 8.790 -4.339 -5.915 1.00 0.00 N ATOM 637 CA ALA A 49 9.673 -3.289 -6.391 1.00 0.00 C ATOM 638 C ALA A 49 9.583 -2.087 -5.448 1.00 0.00 C ATOM 639 O ALA A 49 10.602 -1.595 -4.964 1.00 0.00 O ATOM 640 CB ALA A 49 9.308 -2.928 -7.832 1.00 0.00 C ATOM 0 H ALA A 49 7.837 -4.290 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 49 10.708 -3.630 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.971 -2.140 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.416 -3.808 -8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.276 -2.579 -7.869 1.00 0.00 H new ATOM 646 N ALA A 50 8.355 -1.648 -5.216 1.00 0.00 N ATOM 647 CA ALA A 50 8.125 -0.455 -4.420 1.00 0.00 C ATOM 648 C ALA A 50 8.108 -0.832 -2.937 1.00 0.00 C ATOM 649 O ALA A 50 7.042 -0.935 -2.332 1.00 0.00 O ATOM 650 CB ALA A 50 6.823 0.214 -4.867 1.00 0.00 C ATOM 0 H ALA A 50 7.509 -2.097 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 50 8.929 0.266 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.650 1.109 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.898 0.489 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.993 -0.479 -4.731 1.00 0.00 H new ATOM 656 N GLY A 51 9.301 -1.027 -2.395 1.00 0.00 N ATOM 657 CA GLY A 51 9.443 -1.276 -0.971 1.00 0.00 C ATOM 658 C GLY A 51 9.646 -2.766 -0.693 1.00 0.00 C ATOM 659 O GLY A 51 9.343 -3.246 0.400 1.00 0.00 O ATOM 0 H GLY A 51 10.178 -1.018 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.290 -0.711 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.556 -0.922 -0.446 1.00 0.00 H new ATOM 663 N SER A 52 10.156 -3.460 -1.700 1.00 0.00 N ATOM 664 CA SER A 52 10.643 -4.815 -1.506 1.00 0.00 C ATOM 665 C SER A 52 9.491 -5.729 -1.082 1.00 0.00 C ATOM 666 O SER A 52 8.452 -5.254 -0.627 1.00 0.00 O ATOM 667 CB SER A 52 11.762 -4.855 -0.465 1.00 0.00 C ATOM 668 OG SER A 52 11.272 -4.631 0.855 1.00 0.00 O ATOM 0 H SER A 52 10.242 -3.109 -2.654 1.00 0.00 H new ATOM 0 HA SER A 52 11.052 -5.170 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.262 -5.823 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.510 -4.100 -0.707 1.00 0.00 H new ATOM 0 HG SER A 52 10.293 -4.673 0.852 1.00 0.00 H new ATOM 673 N THR A 53 9.715 -7.025 -1.247 1.00 0.00 N ATOM 674 CA THR A 53 8.667 -8.001 -1.002 1.00 0.00 C ATOM 675 C THR A 53 8.175 -7.904 0.444 1.00 0.00 C ATOM 676 O THR A 53 6.974 -7.795 0.689 1.00 0.00 O ATOM 677 CB THR A 53 9.215 -9.383 -1.365 1.00 0.00 C ATOM 678 OG1 THR A 53 8.972 -9.495 -2.765 1.00 0.00 O ATOM 679 CG2 THR A 53 8.392 -10.519 -0.753 1.00 0.00 C ATOM 0 H THR A 53 10.606 -7.421 -1.547 1.00 0.00 H new ATOM 0 HA THR A 53 7.793 -7.807 -1.624 1.00 0.00 H new ATOM 0 HB THR A 53 10.249 -9.463 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.006 -9.528 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.824 -11.477 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.400 -10.430 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.365 -10.460 -1.114 1.00 0.00 H new ATOM 687 N THR A 54 9.127 -7.947 1.363 1.00 0.00 N ATOM 688 CA THR A 54 8.849 -7.598 2.746 1.00 0.00 C ATOM 689 C THR A 54 7.916 -8.632 3.380 1.00 0.00 C ATOM 690 O THR A 54 7.260 -9.396 2.674 1.00 0.00 O ATOM 691 CB THR A 54 8.285 -6.176 2.769 1.00 0.00 C ATOM 692 OG1 THR A 54 9.260 -5.404 2.073 1.00 0.00 O ATOM 693 CG2 THR A 54 8.272 -5.575 4.177 1.00 0.00 C ATOM 0 H THR A 54 10.093 -8.218 1.178 1.00 0.00 H new ATOM 0 HA THR A 54 9.757 -7.614 3.349 1.00 0.00 H new ATOM 0 HB THR A 54 7.272 -6.181 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.118 -5.878 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.863 -4.566 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.655 -6.192 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.289 -5.539 4.567 1.00 0.00 H new ATOM 701 N LEU A 55 7.887 -8.621 4.705 1.00 0.00 N ATOM 702 CA LEU A 55 6.869 -9.357 5.436 1.00 0.00 C ATOM 703 C LEU A 55 6.164 -8.412 6.412 1.00 0.00 C ATOM 704 O LEU A 55 6.590 -8.265 7.555 1.00 0.00 O ATOM 705 CB LEU A 55 7.478 -10.590 6.107 1.00 0.00 C ATOM 706 CG LEU A 55 7.918 -11.716 5.169 1.00 0.00 C ATOM 707 CD1 LEU A 55 8.842 -12.700 5.888 1.00 0.00 C ATOM 708 CD2 LEU A 55 6.708 -12.415 4.546 1.00 0.00 C ATOM 0 H LEU A 55 8.551 -8.115 5.291 1.00 0.00 H new ATOM 0 HA LEU A 55 6.109 -9.736 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.342 -10.272 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.749 -10.994 6.810 1.00 0.00 H new ATOM 0 HG LEU A 55 8.491 -11.276 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.140 -13.490 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.729 -12.174 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.317 -13.138 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.049 -13.211 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.087 -12.840 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.125 -11.693 3.975 1.00 0.00 H new ATOM 719 N GLY A 56 5.099 -7.796 5.922 1.00 0.00 N ATOM 720 CA GLY A 56 4.320 -6.883 6.742 1.00 0.00 C ATOM 721 C GLY A 56 3.367 -7.649 7.662 1.00 0.00 C ATOM 722 O GLY A 56 3.588 -7.718 8.870 1.00 0.00 O ATOM 0 H GLY A 56 4.757 -7.911 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.989 -6.264 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.750 -6.210 6.102 1.00 0.00 H new ATOM 726 N PRO A 57 2.301 -8.221 7.040 1.00 0.00 N ATOM 727 CA PRO A 57 1.170 -8.721 7.801 1.00 0.00 C ATOM 728 C PRO A 57 1.516 -10.039 8.495 1.00 0.00 C ATOM 729 O PRO A 57 1.204 -11.114 7.985 1.00 0.00 O ATOM 730 CB PRO A 57 0.045 -8.860 6.789 1.00 0.00 C ATOM 731 CG PRO A 57 0.713 -8.877 5.423 1.00 0.00 C ATOM 732 CD PRO A 57 2.146 -8.405 5.599 1.00 0.00 C ATOM 0 HA PRO A 57 0.879 -8.052 8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.522 -9.776 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.658 -8.031 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.691 -9.881 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.180 -8.227 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.855 -9.139 5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.326 -7.475 5.059 1.00 0.00 H new ATOM 737 N GLN A 58 2.155 -9.914 9.649 1.00 0.00 N ATOM 738 CA GLN A 58 2.284 -11.040 10.559 1.00 0.00 C ATOM 739 C GLN A 58 1.017 -11.189 11.403 1.00 0.00 C ATOM 740 O GLN A 58 0.793 -12.234 12.012 1.00 0.00 O ATOM 741 CB GLN A 58 3.521 -10.887 11.447 1.00 0.00 C ATOM 742 CG GLN A 58 4.786 -11.329 10.708 1.00 0.00 C ATOM 743 CD GLN A 58 5.127 -10.359 9.575 1.00 0.00 C ATOM 744 OE1 GLN A 58 4.807 -10.577 8.419 1.00 0.00 O ATOM 745 NE2 GLN A 58 5.792 -9.277 9.971 1.00 0.00 N ATOM 0 H GLN A 58 2.589 -9.050 9.975 1.00 0.00 H new ATOM 0 HA GLN A 58 2.411 -11.947 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.623 -9.848 11.759 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.398 -11.481 12.353 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.620 -11.384 11.408 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.643 -12.331 10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.029 -9.156 10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.065 -8.568 9.290 1.00 0.00 H new TER 752 GLN A 58