USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 712 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 HIS :FLIP no HD1:sc= -0.312 X(o=-0.66,f=-0.36) USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -0.0486 X(o=-0.6,f=-0.36) USER MOD Set 2.1: A 31 ASN : amide:sc= 0.137 K(o=0.82,f=0.25) USER MOD Set 2.2: A 35 GLN : amide:sc= 0.688 K(o=0.82,f=0.25) USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= 0.455 F(o=0.12!,f=1) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.579 K(o=1,f=0.12) USER MOD Single : A 6 THR OG1 : rot -19:sc= 0.538 USER MOD Single : A 8 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-4.1!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.6) USER MOD Single : A 22 CYS SG : rot -50:sc= -0.751 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 54:sc= 0.679 USER MOD Single : A 55 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.19) USER MOD Single : A 57 HIS : no HE2:sc= 0.0174 X(o=0.017,f=-0.13) USER MOD Single : A 58 CYS SG : rot 85:sc= -1.08 USER MOD Single : A 79 ASN : amide:sc= -0.902 K(o=-0.9,f=-2.6!) USER MOD Single : A 85 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-6.6!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.697 K(o=0.7,f=-3.7!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -12.532 -5.460 4.707 1.00 0.00 N ATOM 60 CA THR A 6 -11.237 -4.810 4.593 1.00 0.00 C ATOM 61 C THR A 6 -10.118 -5.821 4.354 1.00 0.00 C ATOM 62 O THR A 6 -10.271 -6.998 4.707 1.00 0.00 O ATOM 63 CB THR A 6 -10.976 -4.016 5.896 1.00 0.00 C ATOM 64 OG1 THR A 6 -11.606 -4.599 7.030 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.516 -2.595 5.774 1.00 0.00 C ATOM 0 HA THR A 6 -11.249 -4.139 3.734 1.00 0.00 H new ATOM 0 HB THR A 6 -9.895 -4.026 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.324 -5.197 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.324 -2.052 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.021 -2.088 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.590 -2.628 5.590 1.00 0.00 H new ATOM 73 N PRO A 7 -8.960 -5.377 3.831 1.00 0.00 N ATOM 74 CA PRO A 7 -7.760 -6.188 3.763 1.00 0.00 C ATOM 75 C PRO A 7 -7.159 -6.363 5.171 1.00 0.00 C ATOM 76 O PRO A 7 -6.088 -5.845 5.464 1.00 0.00 O ATOM 77 CB PRO A 7 -6.830 -5.468 2.778 1.00 0.00 C ATOM 78 CG PRO A 7 -7.227 -4.003 2.921 1.00 0.00 C ATOM 79 CD PRO A 7 -8.727 -4.088 3.199 1.00 0.00 C ATOM 0 HA PRO A 7 -7.947 -7.202 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.781 -5.626 3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.972 -5.825 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.691 -3.516 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.014 -3.435 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.047 -3.274 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.298 -4.001 2.275 1.00 0.00 H new ATOM 87 N HIS A 8 -7.844 -7.135 6.021 1.00 0.00 N ATOM 88 CA HIS A 8 -7.565 -7.434 7.424 1.00 0.00 C ATOM 89 C HIS A 8 -7.910 -6.270 8.381 1.00 0.00 C ATOM 90 O HIS A 8 -7.791 -5.104 8.000 1.00 0.00 O ATOM 91 CB HIS A 8 -6.098 -7.887 7.584 1.00 0.00 C ATOM 92 CG HIS A 8 -5.952 -8.942 8.633 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.327 -8.797 9.846 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.521 -10.183 8.593 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.572 -9.903 10.564 1.00 0.00 C ATOM 96 NE2 HIS A 8 -6.273 -10.783 9.827 1.00 0.00 N ATOM 0 H HIS A 8 -8.690 -7.612 5.710 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.225 -8.251 7.716 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.730 -8.269 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.479 -7.028 7.844 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.060 -10.617 7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.253 -10.063 11.583 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.568 -11.715 10.117 1.00 0.00 H new ATOM 104 N PRO A 9 -8.330 -6.544 9.637 1.00 0.00 N ATOM 105 CA PRO A 9 -8.551 -5.503 10.641 1.00 0.00 C ATOM 106 C PRO A 9 -7.253 -4.989 11.276 1.00 0.00 C ATOM 107 O PRO A 9 -7.224 -3.843 11.714 1.00 0.00 O ATOM 108 CB PRO A 9 -9.448 -6.137 11.710 1.00 0.00 C ATOM 109 CG PRO A 9 -9.091 -7.617 11.630 1.00 0.00 C ATOM 110 CD PRO A 9 -8.819 -7.822 10.142 1.00 0.00 C ATOM 0 HA PRO A 9 -9.006 -4.631 10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.247 -5.727 12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.504 -5.966 11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.218 -7.855 12.237 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.906 -8.249 11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.082 -8.610 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.726 -8.126 9.619 1.00 0.00 H new ATOM 118 N GLN A 10 -6.190 -5.803 11.368 1.00 0.00 N ATOM 119 CA GLN A 10 -4.899 -5.339 11.894 1.00 0.00 C ATOM 120 C GLN A 10 -4.203 -4.364 10.945 1.00 0.00 C ATOM 121 O GLN A 10 -3.357 -3.595 11.406 1.00 0.00 O ATOM 122 CB GLN A 10 -3.947 -6.511 12.183 1.00 0.00 C ATOM 123 CG GLN A 10 -4.107 -7.110 13.587 1.00 0.00 C ATOM 124 CD GLN A 10 -2.807 -6.930 14.362 1.00 0.00 C ATOM 125 OE1 GLN A 10 -1.852 -7.672 14.150 1.00 0.00 O ATOM 126 NE2 GLN A 10 -2.720 -5.902 15.185 1.00 0.00 N ATOM 0 H GLN A 10 -6.200 -6.783 11.086 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.130 -4.821 12.825 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.115 -7.294 11.443 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.919 -6.170 12.059 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.928 -6.621 14.112 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.359 -8.168 13.517 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.531 -5.303 15.341 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.842 -5.706 15.665 1.00 0.00 H new ATOM 135 N LEU A 11 -4.540 -4.390 9.654 1.00 0.00 N ATOM 136 CA LEU A 11 -4.158 -3.327 8.744 1.00 0.00 C ATOM 137 C LEU A 11 -4.839 -2.043 9.199 1.00 0.00 C ATOM 138 O LEU A 11 -6.033 -2.047 9.520 1.00 0.00 O ATOM 139 CB LEU A 11 -4.573 -3.711 7.320 1.00 0.00 C ATOM 140 CG LEU A 11 -4.386 -2.571 6.300 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.857 -3.139 4.986 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.692 -1.807 6.060 1.00 0.00 C ATOM 0 H LEU A 11 -5.078 -5.141 9.222 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.079 -3.173 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.990 -4.574 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.619 -4.017 7.324 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.664 -1.865 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.726 -2.331 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.899 -3.628 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.568 -3.864 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.520 -1.011 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.448 -2.491 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.038 -1.374 6.999 1.00 0.00 H new ATOM 154 N ILE A 12 -4.089 -0.947 9.214 1.00 0.00 N ATOM 155 CA ILE A 12 -4.579 0.364 9.534 1.00 0.00 C ATOM 156 C ILE A 12 -4.627 1.191 8.246 1.00 0.00 C ATOM 157 O ILE A 12 -4.210 0.720 7.190 1.00 0.00 O ATOM 158 CB ILE A 12 -3.657 0.904 10.629 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.453 1.886 11.461 1.00 0.00 C ATOM 160 CG2 ILE A 12 -2.396 1.602 10.117 1.00 0.00 C ATOM 161 CD1 ILE A 12 -3.985 1.906 12.896 1.00 0.00 C ATOM 0 H ILE A 12 -3.093 -0.960 8.995 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.597 0.386 9.923 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.309 0.044 11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.361 2.884 11.034 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.510 1.621 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.804 1.951 10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.806 0.901 9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.678 2.452 9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.580 2.623 13.463 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.102 0.913 13.331 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.935 2.197 12.932 1.00 0.00 H new ATOM 173 N TRP A 13 -5.078 2.442 8.322 1.00 0.00 N ATOM 174 CA TRP A 13 -5.015 3.340 7.182 1.00 0.00 C ATOM 175 C TRP A 13 -4.230 4.593 7.561 1.00 0.00 C ATOM 176 O TRP A 13 -4.295 5.011 8.723 1.00 0.00 O ATOM 177 CB TRP A 13 -6.420 3.646 6.676 1.00 0.00 C ATOM 178 CG TRP A 13 -7.225 2.423 6.365 1.00 0.00 C ATOM 179 CD1 TRP A 13 -7.938 1.703 7.261 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.263 1.664 5.119 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.454 0.584 6.646 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.034 0.487 5.339 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.694 1.822 3.836 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.220 -0.489 4.354 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.865 0.836 2.845 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.610 -0.327 3.101 1.00 0.00 C ATOM 0 H TRP A 13 -5.489 2.851 9.161 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.484 2.865 6.357 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.947 4.236 7.426 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.348 4.261 5.779 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.081 1.965 8.299 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.070 -0.089 7.102 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.121 2.710 3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -8.827 -1.359 4.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.416 0.976 1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.712 -1.088 2.342 1.00 0.00 H new ATOM 197 N PRO A 14 -3.540 5.228 6.602 1.00 0.00 N ATOM 198 CA PRO A 14 -3.447 4.797 5.208 1.00 0.00 C ATOM 199 C PRO A 14 -2.647 3.497 4.987 1.00 0.00 C ATOM 200 O PRO A 14 -1.895 3.068 5.872 1.00 0.00 O ATOM 201 CB PRO A 14 -2.806 5.964 4.474 1.00 0.00 C ATOM 202 CG PRO A 14 -2.097 6.790 5.542 1.00 0.00 C ATOM 203 CD PRO A 14 -2.927 6.530 6.791 1.00 0.00 C ATOM 0 HA PRO A 14 -4.441 4.548 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.101 5.612 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.557 6.559 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.062 6.475 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.077 7.849 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.302 6.541 7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.685 7.302 6.923 1.00 0.00 H new ATOM 211 N ALA A 15 -2.842 2.886 3.810 1.00 0.00 N ATOM 212 CA ALA A 15 -2.255 1.622 3.364 1.00 0.00 C ATOM 213 C ALA A 15 -1.852 1.696 1.901 1.00 0.00 C ATOM 214 O ALA A 15 -2.154 2.651 1.186 1.00 0.00 O ATOM 215 CB ALA A 15 -3.251 0.461 3.528 1.00 0.00 C ATOM 0 H ALA A 15 -3.454 3.290 3.101 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.376 1.445 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.788 -0.466 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.529 0.365 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.143 0.660 2.934 1.00 0.00 H new ATOM 221 N LEU A 16 -1.123 0.656 1.511 1.00 0.00 N ATOM 222 CA LEU A 16 -0.205 0.612 0.408 1.00 0.00 C ATOM 223 C LEU A 16 -0.373 -0.703 -0.304 1.00 0.00 C ATOM 224 O LEU A 16 -0.029 -1.744 0.270 1.00 0.00 O ATOM 225 CB LEU A 16 1.214 0.657 0.983 1.00 0.00 C ATOM 226 CG LEU A 16 1.599 1.933 1.724 1.00 0.00 C ATOM 227 CD1 LEU A 16 1.317 3.118 0.811 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.090 2.124 3.149 1.00 0.00 C ATOM 0 H LEU A 16 -1.171 -0.237 2.002 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.384 1.442 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.334 -0.185 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.920 0.509 0.166 1.00 0.00 H new ATOM 0 HG LEU A 16 2.665 1.841 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.585 4.043 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.906 3.023 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.257 3.138 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.448 3.077 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.000 2.118 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.458 1.314 3.778 1.00 0.00 H new ATOM 240 N LEU A 17 -0.868 -0.668 -1.539 1.00 0.00 N ATOM 241 CA LEU A 17 -0.843 -1.860 -2.382 1.00 0.00 C ATOM 242 C LEU A 17 0.333 -1.771 -3.356 1.00 0.00 C ATOM 243 O LEU A 17 0.736 -0.662 -3.720 1.00 0.00 O ATOM 244 CB LEU A 17 -2.201 -2.026 -3.091 1.00 0.00 C ATOM 245 CG LEU A 17 -2.414 -3.306 -3.920 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.632 -4.518 -3.013 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.636 -3.123 -4.830 1.00 0.00 C ATOM 0 H LEU A 17 -1.284 0.157 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.692 -2.754 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.984 -1.980 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.344 -1.170 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.521 -3.482 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.780 -5.408 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.759 -4.657 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.513 -4.354 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.790 -4.027 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.519 -2.933 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.468 -2.279 -5.499 1.00 0.00 H new ATOM 259 N LYS A 18 0.882 -2.918 -3.781 1.00 0.00 N ATOM 260 CA LYS A 18 1.888 -2.969 -4.843 1.00 0.00 C ATOM 261 C LYS A 18 1.618 -4.199 -5.709 1.00 0.00 C ATOM 262 O LYS A 18 2.162 -5.264 -5.423 1.00 0.00 O ATOM 263 CB LYS A 18 3.310 -2.936 -4.229 1.00 0.00 C ATOM 264 CG LYS A 18 4.231 -1.971 -4.978 1.00 0.00 C ATOM 265 CD LYS A 18 4.680 -2.474 -6.349 1.00 0.00 C ATOM 266 CE LYS A 18 5.566 -3.718 -6.293 1.00 0.00 C ATOM 267 NZ LYS A 18 6.882 -3.478 -5.658 1.00 0.00 N ATOM 0 H LYS A 18 0.640 -3.832 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 18 1.825 -2.095 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.247 -2.639 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.739 -3.938 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.717 -1.018 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.113 -1.779 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.798 -2.695 -6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.222 -1.677 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.044 -4.502 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.722 -4.089 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.431 -4.361 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.399 -2.752 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.741 -3.152 -4.680 1.00 0.00 H new ATOM 281 N GLN A 19 0.780 -4.071 -6.747 1.00 0.00 N ATOM 282 CA GLN A 19 0.318 -5.220 -7.525 1.00 0.00 C ATOM 283 C GLN A 19 1.504 -6.043 -8.011 1.00 0.00 C ATOM 284 O GLN A 19 2.496 -5.496 -8.498 1.00 0.00 O ATOM 285 CB GLN A 19 -0.544 -4.801 -8.734 1.00 0.00 C ATOM 286 CG GLN A 19 -2.054 -4.839 -8.462 1.00 0.00 C ATOM 287 CD GLN A 19 -2.786 -5.816 -9.389 1.00 0.00 C ATOM 288 OE1 GLN A 19 -3.083 -7.027 -8.948 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 -3.095 -5.520 -10.537 1.00 0.00 N flip ATOM 0 H GLN A 19 0.409 -3.176 -7.066 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.305 -5.821 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.264 -3.792 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.319 -5.458 -9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.227 -5.126 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.470 -3.839 -8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.877 -4.592 -10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.570 -6.201 -11.129 1.00 0.00 H new ATOM 298 N GLN A 20 1.379 -7.363 -7.932 1.00 0.00 N ATOM 299 CA GLN A 20 2.373 -8.303 -8.357 1.00 0.00 C ATOM 300 C GLN A 20 2.646 -8.076 -9.842 1.00 0.00 C ATOM 301 O GLN A 20 1.772 -8.289 -10.692 1.00 0.00 O ATOM 302 CB GLN A 20 1.850 -9.702 -7.992 1.00 0.00 C ATOM 303 CG GLN A 20 2.940 -10.611 -7.437 1.00 0.00 C ATOM 304 CD GLN A 20 3.583 -10.151 -6.120 1.00 0.00 C ATOM 305 OE1 GLN A 20 3.299 -9.096 -5.567 1.00 0.00 O ATOM 306 NE2 GLN A 20 4.514 -10.921 -5.584 1.00 0.00 N ATOM 0 H GLN A 20 0.544 -7.811 -7.553 1.00 0.00 H new ATOM 0 HA GLN A 20 3.337 -8.185 -7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.052 -9.606 -7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.413 -10.164 -8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.517 -11.604 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.724 -10.709 -8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.765 -11.804 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.982 -10.633 -4.725 1.00 0.00 H new ATOM 315 N GLY A 21 3.836 -7.554 -10.129 1.00 0.00 N ATOM 316 CA GLY A 21 4.331 -7.229 -11.450 1.00 0.00 C ATOM 317 C GLY A 21 4.441 -5.729 -11.687 1.00 0.00 C ATOM 318 O GLY A 21 5.403 -5.315 -12.338 1.00 0.00 O ATOM 0 H GLY A 21 4.514 -7.337 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.310 -7.687 -11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.668 -7.663 -12.198 1.00 0.00 H new ATOM 322 N CYS A 22 3.524 -4.905 -11.160 1.00 0.00 N ATOM 323 CA CYS A 22 3.615 -3.464 -11.302 1.00 0.00 C ATOM 324 C CYS A 22 4.790 -2.953 -10.475 1.00 0.00 C ATOM 325 O CYS A 22 5.350 -3.656 -9.623 1.00 0.00 O ATOM 326 CB CYS A 22 2.299 -2.786 -10.869 1.00 0.00 C ATOM 327 SG CYS A 22 2.202 -2.469 -9.098 1.00 0.00 S ATOM 0 H CYS A 22 2.712 -5.224 -10.632 1.00 0.00 H new ATOM 0 HA CYS A 22 3.781 -3.215 -12.350 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.192 -1.843 -11.405 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.460 -3.417 -11.163 1.00 0.00 H new ATOM 0 HG CYS A 22 2.504 -3.552 -8.446 1.00 0.00 H new ATOM 333 N ASN A 23 5.086 -1.678 -10.667 1.00 0.00 N ATOM 334 CA ASN A 23 6.058 -0.935 -9.884 1.00 0.00 C ATOM 335 C ASN A 23 5.340 0.190 -9.144 1.00 0.00 C ATOM 336 O ASN A 23 5.890 0.745 -8.199 1.00 0.00 O ATOM 337 CB ASN A 23 7.156 -0.389 -10.818 1.00 0.00 C ATOM 338 CG ASN A 23 7.588 -1.451 -11.817 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.266 -2.411 -11.463 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.098 -1.388 -13.039 1.00 0.00 N ATOM 0 H ASN A 23 4.643 -1.115 -11.394 1.00 0.00 H new ATOM 0 HA ASN A 23 6.535 -1.582 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.786 0.488 -11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.014 -0.066 -10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.281 -2.142 -13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.536 -0.585 -13.322 1.00 0.00 H new ATOM 347 N GLU A 24 4.119 0.529 -9.556 1.00 0.00 N ATOM 348 CA GLU A 24 3.395 1.697 -9.095 1.00 0.00 C ATOM 349 C GLU A 24 2.838 1.414 -7.699 1.00 0.00 C ATOM 350 O GLU A 24 1.956 0.574 -7.525 1.00 0.00 O ATOM 351 CB GLU A 24 2.330 2.040 -10.144 1.00 0.00 C ATOM 352 CG GLU A 24 1.669 3.408 -9.935 1.00 0.00 C ATOM 353 CD GLU A 24 0.949 3.882 -11.207 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.301 3.061 -11.901 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.114 5.075 -11.570 1.00 0.00 O ATOM 0 H GLU A 24 3.598 -0.021 -10.239 1.00 0.00 H new ATOM 0 HA GLU A 24 4.034 2.574 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.787 2.016 -11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.559 1.269 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.956 3.348 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.425 4.139 -9.649 1.00 0.00 H new ATOM 362 N LEU A 25 3.399 2.071 -6.680 1.00 0.00 N ATOM 363 CA LEU A 25 2.849 2.003 -5.325 1.00 0.00 C ATOM 364 C LEU A 25 1.514 2.732 -5.318 1.00 0.00 C ATOM 365 O LEU A 25 1.412 3.825 -5.877 1.00 0.00 O ATOM 366 CB LEU A 25 3.780 2.619 -4.258 1.00 0.00 C ATOM 367 CG LEU A 25 4.759 1.651 -3.575 1.00 0.00 C ATOM 368 CD1 LEU A 25 4.016 0.628 -2.705 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.713 0.994 -4.578 1.00 0.00 C ATOM 0 H LEU A 25 4.231 2.654 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 25 2.734 0.951 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.357 3.417 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.162 3.081 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 25 5.387 2.238 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.736 -0.042 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.450 1.150 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.334 0.049 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.386 0.318 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.137 0.432 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.295 1.764 -5.085 1.00 0.00 H new ATOM 381 N LEU A 26 0.542 2.126 -4.648 1.00 0.00 N ATOM 382 CA LEU A 26 -0.872 2.456 -4.596 1.00 0.00 C ATOM 383 C LEU A 26 -1.286 3.077 -3.263 1.00 0.00 C ATOM 384 O LEU A 26 -1.513 2.336 -2.305 1.00 0.00 O ATOM 385 CB LEU A 26 -1.744 1.258 -4.988 1.00 0.00 C ATOM 386 CG LEU A 26 -2.943 1.539 -5.906 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.105 2.031 -5.038 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.708 2.532 -7.047 1.00 0.00 C ATOM 0 H LEU A 26 0.748 1.310 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.043 3.231 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.107 0.522 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.118 0.798 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.153 0.595 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.969 2.237 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.364 1.264 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.810 2.942 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.626 2.647 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.415 3.497 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.916 2.159 -7.696 1.00 0.00 H new ATOM 400 N PRO A 27 -1.204 4.404 -3.094 1.00 0.00 N ATOM 401 CA PRO A 27 -1.685 5.063 -1.890 1.00 0.00 C ATOM 402 C PRO A 27 -3.219 4.951 -1.765 1.00 0.00 C ATOM 403 O PRO A 27 -3.945 5.430 -2.641 1.00 0.00 O ATOM 404 CB PRO A 27 -1.215 6.516 -2.048 1.00 0.00 C ATOM 405 CG PRO A 27 -1.227 6.751 -3.557 1.00 0.00 C ATOM 406 CD PRO A 27 -0.854 5.383 -4.116 1.00 0.00 C ATOM 0 HA PRO A 27 -1.301 4.610 -0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.880 7.208 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.219 6.660 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.206 7.078 -3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.511 7.518 -3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.392 5.184 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.210 5.337 -4.348 1.00 0.00 H new ATOM 414 N LEU A 28 -3.703 4.347 -0.674 1.00 0.00 N ATOM 415 CA LEU A 28 -5.098 4.337 -0.221 1.00 0.00 C ATOM 416 C LEU A 28 -5.130 5.158 1.072 1.00 0.00 C ATOM 417 O LEU A 28 -4.621 4.699 2.101 1.00 0.00 O ATOM 418 CB LEU A 28 -5.574 2.897 0.089 1.00 0.00 C ATOM 419 CG LEU A 28 -5.820 1.903 -1.067 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.514 2.502 -2.289 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.555 1.172 -1.513 1.00 0.00 C ATOM 0 H LEU A 28 -3.095 3.821 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.751 4.744 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.836 2.447 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.504 2.976 0.653 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.508 1.183 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.644 1.731 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.489 2.893 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.905 3.310 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.797 0.489 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.817 1.898 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.147 0.607 -0.675 1.00 0.00 H new ATOM 433 N ARG A 29 -5.697 6.371 1.043 1.00 0.00 N ATOM 434 CA ARG A 29 -5.819 7.228 2.230 1.00 0.00 C ATOM 435 C ARG A 29 -6.636 6.522 3.308 1.00 0.00 C ATOM 436 O ARG A 29 -6.217 6.498 4.463 1.00 0.00 O ATOM 437 CB ARG A 29 -6.487 8.574 1.910 1.00 0.00 C ATOM 438 CG ARG A 29 -5.665 9.576 1.079 1.00 0.00 C ATOM 439 CD ARG A 29 -6.606 10.506 0.295 1.00 0.00 C ATOM 440 NE ARG A 29 -6.117 11.891 0.173 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.746 12.981 0.632 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.770 12.891 1.469 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.352 14.184 0.251 1.00 0.00 N ATOM 0 H ARG A 29 -6.084 6.786 0.196 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.806 7.422 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.417 8.374 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.755 9.053 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.022 10.164 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.012 9.040 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.756 10.096 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.580 10.517 0.785 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.225 12.031 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.097 11.976 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.231 13.737 1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.568 14.283 -0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.832 15.013 0.602 1.00 0.00 H new ATOM 457 N THR A 30 -7.807 5.982 2.961 1.00 0.00 N ATOM 458 CA THR A 30 -8.665 5.260 3.894 1.00 0.00 C ATOM 459 C THR A 30 -9.278 4.044 3.194 1.00 0.00 C ATOM 460 O THR A 30 -9.132 3.875 1.979 1.00 0.00 O ATOM 461 CB THR A 30 -9.725 6.186 4.534 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.748 6.555 3.627 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.166 7.461 5.172 1.00 0.00 C ATOM 0 H THR A 30 -8.186 6.036 2.016 1.00 0.00 H new ATOM 0 HA THR A 30 -8.060 4.896 4.724 1.00 0.00 H new ATOM 0 HB THR A 30 -10.136 5.568 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.392 7.138 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.984 8.045 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.465 7.195 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.651 8.052 4.414 1.00 0.00 H new ATOM 471 N ASN A 31 -10.004 3.220 3.956 1.00 0.00 N ATOM 472 CA ASN A 31 -10.692 2.033 3.466 1.00 0.00 C ATOM 473 C ASN A 31 -11.659 2.374 2.339 1.00 0.00 C ATOM 474 O ASN A 31 -11.797 1.588 1.409 1.00 0.00 O ATOM 475 CB ASN A 31 -11.449 1.345 4.615 1.00 0.00 C ATOM 476 CG ASN A 31 -12.585 0.455 4.118 1.00 0.00 C ATOM 477 OD1 ASN A 31 -13.752 0.717 4.393 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.289 -0.604 3.388 1.00 0.00 N ATOM 0 H ASN A 31 -10.129 3.369 4.957 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.938 1.352 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.750 0.745 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.853 2.104 5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.033 -1.213 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.316 -0.814 3.165 1.00 0.00 H new ATOM 485 N ASP A 32 -12.331 3.524 2.391 1.00 0.00 N ATOM 486 CA ASP A 32 -13.303 3.855 1.353 1.00 0.00 C ATOM 487 C ASP A 32 -12.604 3.991 0.000 1.00 0.00 C ATOM 488 O ASP A 32 -13.192 3.632 -1.014 1.00 0.00 O ATOM 489 CB ASP A 32 -14.100 5.124 1.695 1.00 0.00 C ATOM 490 CG ASP A 32 -15.590 4.922 1.421 1.00 0.00 C ATOM 491 OD1 ASP A 32 -16.037 5.042 0.262 1.00 0.00 O ATOM 492 OD2 ASP A 32 -16.332 4.654 2.390 1.00 0.00 O ATOM 0 H ASP A 32 -12.224 4.226 3.123 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.021 3.037 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.950 5.381 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.728 5.962 1.106 1.00 0.00 H new ATOM 497 N ASP A 33 -11.333 4.426 -0.046 1.00 0.00 N ATOM 498 CA ASP A 33 -10.605 4.440 -1.317 1.00 0.00 C ATOM 499 C ASP A 33 -10.309 3.027 -1.797 1.00 0.00 C ATOM 500 O ASP A 33 -10.450 2.739 -2.982 1.00 0.00 O ATOM 501 CB ASP A 33 -9.280 5.213 -1.276 1.00 0.00 C ATOM 502 CG ASP A 33 -8.928 5.605 -2.718 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.783 6.226 -3.391 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.825 5.295 -3.211 1.00 0.00 O ATOM 0 H ASP A 33 -10.805 4.762 0.759 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.273 4.957 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.373 6.100 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.491 4.598 -0.843 1.00 0.00 H new ATOM 509 N TRP A 34 -9.932 2.138 -0.871 1.00 0.00 N ATOM 510 CA TRP A 34 -9.715 0.727 -1.160 1.00 0.00 C ATOM 511 C TRP A 34 -10.975 0.104 -1.772 1.00 0.00 C ATOM 512 O TRP A 34 -10.866 -0.656 -2.734 1.00 0.00 O ATOM 513 CB TRP A 34 -9.258 -0.018 0.109 1.00 0.00 C ATOM 514 CG TRP A 34 -9.332 -1.504 0.005 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.438 -2.248 0.242 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.339 -2.416 -0.540 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.211 -3.535 -0.191 1.00 0.00 N ATOM 518 CE2 TRP A 34 -8.993 -3.646 -0.813 1.00 0.00 C ATOM 519 CE3 TRP A 34 -6.997 -2.298 -0.956 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.397 -4.655 -1.571 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.349 -3.362 -1.613 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.045 -4.546 -1.929 1.00 0.00 C ATOM 0 H TRP A 34 -9.769 2.385 0.105 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.917 0.634 -1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.231 0.269 0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.872 0.307 0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.350 -1.890 0.697 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.865 -4.308 -0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.459 -1.380 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.973 -5.515 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.306 -3.269 -1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.545 -5.357 -2.439 1.00 0.00 H new ATOM 533 N GLN A 35 -12.156 0.412 -1.231 1.00 0.00 N ATOM 534 CA GLN A 35 -13.420 -0.040 -1.805 1.00 0.00 C ATOM 535 C GLN A 35 -13.590 0.548 -3.212 1.00 0.00 C ATOM 536 O GLN A 35 -13.762 -0.189 -4.184 1.00 0.00 O ATOM 537 CB GLN A 35 -14.610 0.333 -0.901 1.00 0.00 C ATOM 538 CG GLN A 35 -14.574 -0.310 0.499 1.00 0.00 C ATOM 539 CD GLN A 35 -15.902 -0.137 1.241 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.963 -0.437 0.703 1.00 0.00 O ATOM 541 NE2 GLN A 35 -15.906 0.332 2.480 1.00 0.00 N ATOM 0 H GLN A 35 -12.260 0.978 -0.389 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.400 -1.127 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.639 1.417 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.534 0.039 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.346 -1.372 0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.770 0.138 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.027 0.583 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.788 0.442 2.981 1.00 0.00 H new ATOM 550 N ARG A 36 -13.527 1.878 -3.332 1.00 0.00 N ATOM 551 CA ARG A 36 -13.794 2.604 -4.577 1.00 0.00 C ATOM 552 C ARG A 36 -12.822 2.235 -5.695 1.00 0.00 C ATOM 553 O ARG A 36 -13.173 2.386 -6.858 1.00 0.00 O ATOM 554 CB ARG A 36 -13.757 4.115 -4.312 1.00 0.00 C ATOM 555 CG ARG A 36 -14.912 4.577 -3.404 1.00 0.00 C ATOM 556 CD ARG A 36 -14.555 5.861 -2.641 1.00 0.00 C ATOM 557 NE ARG A 36 -15.128 7.065 -3.249 1.00 0.00 N ATOM 558 CZ ARG A 36 -14.631 7.775 -4.260 1.00 0.00 C ATOM 559 NH1 ARG A 36 -13.471 7.438 -4.803 1.00 0.00 N ATOM 560 NH2 ARG A 36 -15.295 8.841 -4.691 1.00 0.00 N ATOM 0 H ARG A 36 -13.285 2.490 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.787 2.312 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.806 4.377 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.807 4.649 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.803 4.748 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.155 3.787 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.908 5.776 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.471 5.963 -2.599 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.007 7.397 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.956 6.633 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.093 7.984 -5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.175 9.107 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.925 9.394 -5.465 1.00 0.00 H new ATOM 696 N LEU A 45 -6.651 -8.375 -8.983 1.00 0.00 N ATOM 697 CA LEU A 45 -6.142 -8.731 -7.666 1.00 0.00 C ATOM 698 C LEU A 45 -5.493 -10.100 -7.812 1.00 0.00 C ATOM 699 O LEU A 45 -6.111 -11.001 -8.378 1.00 0.00 O ATOM 700 CB LEU A 45 -7.288 -8.757 -6.641 1.00 0.00 C ATOM 701 CG LEU A 45 -7.790 -7.352 -6.251 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.137 -7.482 -5.538 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.797 -6.623 -5.334 1.00 0.00 C ATOM 0 HA LEU A 45 -5.417 -8.002 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.119 -9.331 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.952 -9.277 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.893 -6.765 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.498 -6.492 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.857 -7.957 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.017 -8.090 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.189 -5.637 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.655 -7.200 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.841 -6.513 -5.847 1.00 0.00 H new ATOM 715 N GLN A 46 -4.246 -10.262 -7.373 1.00 0.00 N ATOM 716 CA GLN A 46 -3.479 -11.501 -7.455 1.00 0.00 C ATOM 717 C GLN A 46 -3.137 -11.949 -6.038 1.00 0.00 C ATOM 718 O GLN A 46 -2.798 -11.112 -5.192 1.00 0.00 O ATOM 719 CB GLN A 46 -2.194 -11.256 -8.262 1.00 0.00 C ATOM 720 CG GLN A 46 -2.494 -10.811 -9.699 1.00 0.00 C ATOM 721 CD GLN A 46 -1.284 -10.189 -10.359 1.00 0.00 C ATOM 722 OE1 GLN A 46 -0.369 -10.865 -10.832 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.253 -8.875 -10.447 1.00 0.00 N ATOM 0 H GLN A 46 -3.723 -9.504 -6.934 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.059 -12.277 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.593 -10.495 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.599 -12.169 -8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.826 -11.669 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.314 -10.093 -9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.013 -8.319 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.469 -8.413 -10.908 1.00 0.00 H new ATOM 732 N TYR A 47 -3.191 -13.257 -5.776 1.00 0.00 N ATOM 733 CA TYR A 47 -2.694 -13.809 -4.518 1.00 0.00 C ATOM 734 C TYR A 47 -1.193 -13.543 -4.475 1.00 0.00 C ATOM 735 O TYR A 47 -0.441 -14.140 -5.250 1.00 0.00 O ATOM 736 CB TYR A 47 -2.925 -15.323 -4.362 1.00 0.00 C ATOM 737 CG TYR A 47 -4.361 -15.774 -4.394 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.253 -15.239 -3.456 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.801 -16.736 -5.326 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.609 -15.586 -3.507 1.00 0.00 C ATOM 741 CE2 TYR A 47 -6.156 -17.113 -5.361 1.00 0.00 C ATOM 742 CZ TYR A 47 -7.066 -16.521 -4.456 1.00 0.00 C ATOM 743 OH TYR A 47 -8.372 -16.888 -4.428 1.00 0.00 O ATOM 0 H TYR A 47 -3.574 -13.951 -6.418 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.242 -13.331 -3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.385 -15.838 -5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.484 -15.643 -3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.896 -14.561 -2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.098 -17.183 -6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.306 -15.135 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.498 -17.849 -6.074 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.545 -17.538 -5.141 1.00 0.00 H new ATOM 753 N GLY A 48 -0.766 -12.630 -3.610 1.00 0.00 N ATOM 754 CA GLY A 48 0.624 -12.235 -3.469 1.00 0.00 C ATOM 755 C GLY A 48 0.812 -10.720 -3.458 1.00 0.00 C ATOM 756 O GLY A 48 1.880 -10.257 -3.067 1.00 0.00 O ATOM 0 H GLY A 48 -1.393 -12.135 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.023 -12.652 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.203 -12.662 -4.288 1.00 0.00 H new ATOM 760 N ASP A 49 -0.221 -9.956 -3.827 1.00 0.00 N ATOM 761 CA ASP A 49 -0.192 -8.518 -4.159 1.00 0.00 C ATOM 762 C ASP A 49 0.285 -7.581 -3.041 1.00 0.00 C ATOM 763 O ASP A 49 0.505 -6.403 -3.300 1.00 0.00 O ATOM 764 CB ASP A 49 -1.622 -8.090 -4.525 1.00 0.00 C ATOM 765 CG ASP A 49 -1.964 -8.035 -6.009 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.087 -8.127 -6.891 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.167 -7.883 -6.309 1.00 0.00 O ATOM 0 H ASP A 49 -1.161 -10.344 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 49 0.532 -8.422 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.316 -8.777 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.801 -7.103 -4.098 1.00 0.00 H new ATOM 772 N LYS A 50 0.418 -8.103 -1.816 1.00 0.00 N ATOM 773 CA LYS A 50 0.922 -7.489 -0.586 1.00 0.00 C ATOM 774 C LYS A 50 0.224 -6.177 -0.187 1.00 0.00 C ATOM 775 O LYS A 50 0.237 -5.183 -0.913 1.00 0.00 O ATOM 776 CB LYS A 50 2.428 -7.238 -0.738 1.00 0.00 C ATOM 777 CG LYS A 50 3.200 -7.345 0.587 1.00 0.00 C ATOM 778 CD LYS A 50 4.703 -7.479 0.315 1.00 0.00 C ATOM 779 CE LYS A 50 5.038 -8.899 -0.174 1.00 0.00 C ATOM 780 NZ LYS A 50 6.059 -8.893 -1.238 1.00 0.00 N ATOM 0 H LYS A 50 0.145 -9.071 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 50 0.705 -8.194 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.839 -7.955 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.583 -6.246 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.011 -6.463 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.847 -8.207 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.010 -6.749 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.264 -7.259 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.393 -9.497 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.132 -9.378 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.254 -9.870 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.711 -8.345 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.933 -8.460 -0.878 1.00 0.00 H new ATOM 794 N LEU A 51 -0.312 -6.121 1.027 1.00 0.00 N ATOM 795 CA LEU A 51 -0.632 -4.849 1.665 1.00 0.00 C ATOM 796 C LEU A 51 0.501 -4.538 2.634 1.00 0.00 C ATOM 797 O LEU A 51 1.104 -5.438 3.224 1.00 0.00 O ATOM 798 CB LEU A 51 -1.989 -4.894 2.394 1.00 0.00 C ATOM 799 CG LEU A 51 -3.203 -4.307 1.639 1.00 0.00 C ATOM 800 CD1 LEU A 51 -2.972 -2.922 1.024 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.729 -5.259 0.567 1.00 0.00 C ATOM 0 H LEU A 51 -0.534 -6.942 1.590 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.725 -4.067 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.210 -5.933 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.885 -4.360 3.339 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.954 -4.180 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.879 -2.594 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.720 -2.212 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.153 -2.974 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.582 -4.804 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.942 -5.459 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.039 -6.195 1.032 1.00 0.00 H new ATOM 813 N VAL A 52 0.727 -3.248 2.820 1.00 0.00 N ATOM 814 CA VAL A 52 1.498 -2.612 3.872 1.00 0.00 C ATOM 815 C VAL A 52 0.581 -1.534 4.444 1.00 0.00 C ATOM 816 O VAL A 52 -0.297 -1.028 3.734 1.00 0.00 O ATOM 817 CB VAL A 52 2.833 -2.097 3.278 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.562 -1.071 4.159 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.768 -3.287 3.034 1.00 0.00 C ATOM 0 H VAL A 52 0.339 -2.557 2.178 1.00 0.00 H new ATOM 0 HA VAL A 52 1.797 -3.276 4.683 1.00 0.00 H new ATOM 0 HB VAL A 52 2.574 -1.585 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.486 -0.763 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.923 -0.201 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.795 -1.521 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.709 -2.930 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.960 -3.798 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.300 -3.980 2.335 1.00 0.00 H new ATOM 829 N ASP A 53 0.759 -1.186 5.715 1.00 0.00 N ATOM 830 CA ASP A 53 -0.023 -0.189 6.429 1.00 0.00 C ATOM 831 C ASP A 53 0.889 0.761 7.213 1.00 0.00 C ATOM 832 O ASP A 53 2.118 0.633 7.210 1.00 0.00 O ATOM 833 CB ASP A 53 -1.045 -0.903 7.330 1.00 0.00 C ATOM 834 CG ASP A 53 -0.522 -1.339 8.702 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.699 -1.541 8.848 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.340 -1.392 9.648 1.00 0.00 O ATOM 0 H ASP A 53 1.482 -1.610 6.297 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.571 0.431 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.897 -0.240 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.414 -1.784 6.804 1.00 0.00 H new ATOM 841 N SER A 54 0.283 1.730 7.901 1.00 0.00 N ATOM 842 CA SER A 54 1.007 2.695 8.724 1.00 0.00 C ATOM 843 C SER A 54 1.617 2.080 10.003 1.00 0.00 C ATOM 844 O SER A 54 2.416 2.747 10.665 1.00 0.00 O ATOM 845 CB SER A 54 0.076 3.856 9.084 1.00 0.00 C ATOM 846 OG SER A 54 -0.543 4.470 7.960 1.00 0.00 O ATOM 0 H SER A 54 -0.728 1.866 7.902 1.00 0.00 H new ATOM 0 HA SER A 54 1.849 3.052 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.699 3.491 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.645 4.609 9.629 1.00 0.00 H new ATOM 0 HG SER A 54 -1.005 3.789 7.428 1.00 0.00 H new ATOM 852 N ASN A 55 1.273 0.836 10.367 1.00 0.00 N ATOM 853 CA ASN A 55 1.927 0.077 11.435 1.00 0.00 C ATOM 854 C ASN A 55 3.159 -0.664 10.917 1.00 0.00 C ATOM 855 O ASN A 55 3.833 -1.313 11.722 1.00 0.00 O ATOM 856 CB ASN A 55 0.992 -0.977 12.053 1.00 0.00 C ATOM 857 CG ASN A 55 -0.075 -0.411 12.958 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.221 -0.046 14.095 1.00 0.00 O ATOM 859 ND2 ASN A 55 -1.322 -0.374 12.525 1.00 0.00 N ATOM 0 H ASN A 55 0.516 0.322 9.916 1.00 0.00 H new ATOM 0 HA ASN A 55 2.207 0.813 12.188 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.511 -1.534 11.249 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.592 -1.689 12.620 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.065 -0.037 13.138 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.542 -0.682 11.578 1.00 0.00 H new ATOM 866 N PHE A 56 3.458 -0.611 9.610 1.00 0.00 N ATOM 867 CA PHE A 56 4.478 -1.434 8.967 1.00 0.00 C ATOM 868 C PHE A 56 4.133 -2.924 9.124 1.00 0.00 C ATOM 869 O PHE A 56 5.019 -3.766 8.991 1.00 0.00 O ATOM 870 CB PHE A 56 5.899 -1.050 9.466 1.00 0.00 C ATOM 871 CG PHE A 56 6.441 0.275 8.954 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.777 1.481 9.249 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.624 0.311 8.188 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.260 2.695 8.743 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.119 1.537 7.700 1.00 0.00 C ATOM 876 CZ PHE A 56 7.430 2.735 7.970 1.00 0.00 C ATOM 0 H PHE A 56 2.985 0.020 8.963 1.00 0.00 H new ATOM 0 HA PHE A 56 4.489 -1.237 7.895 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.886 -1.020 10.555 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.592 -1.841 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.892 1.470 9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.154 -0.606 7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.726 3.610 8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.028 1.558 7.118 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.798 3.675 7.586 1.00 0.00 H new ATOM 886 N HIS A 57 2.867 -3.295 9.340 1.00 0.00 N ATOM 887 CA HIS A 57 2.402 -4.671 9.231 1.00 0.00 C ATOM 888 C HIS A 57 2.290 -5.044 7.752 1.00 0.00 C ATOM 889 O HIS A 57 1.458 -4.480 7.039 1.00 0.00 O ATOM 890 CB HIS A 57 1.032 -4.822 9.901 1.00 0.00 C ATOM 891 CG HIS A 57 0.970 -4.573 11.385 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.162 -4.181 12.071 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.975 -4.769 12.294 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.143 -4.167 13.379 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.428 -4.527 13.562 1.00 0.00 N ATOM 0 H HIS A 57 2.132 -2.637 9.598 1.00 0.00 H new ATOM 0 HA HIS A 57 3.112 -5.331 9.730 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.338 -4.138 9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.671 -5.833 9.711 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.065 -3.945 11.660 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.993 -5.055 12.076 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.544 -3.905 14.170 1.00 0.00 H new ATOM 903 N CYS A 58 3.110 -5.990 7.276 1.00 0.00 N ATOM 904 CA CYS A 58 2.885 -6.543 5.950 1.00 0.00 C ATOM 905 C CYS A 58 1.748 -7.555 6.039 1.00 0.00 C ATOM 906 O CYS A 58 1.595 -8.248 7.054 1.00 0.00 O ATOM 907 CB CYS A 58 4.111 -7.281 5.404 1.00 0.00 C ATOM 908 SG CYS A 58 5.658 -6.364 5.543 1.00 0.00 S ATOM 0 H CYS A 58 3.911 -6.374 7.778 1.00 0.00 H new ATOM 0 HA CYS A 58 2.657 -5.711 5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.215 -8.228 5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.938 -7.520 4.355 1.00 0.00 H new ATOM 0 HG CYS A 58 6.172 -6.557 6.721 1.00 0.00 H new ATOM 914 N PHE A 59 1.052 -7.737 4.922 1.00 0.00 N ATOM 915 CA PHE A 59 0.039 -8.755 4.710 1.00 0.00 C ATOM 916 C PHE A 59 0.217 -9.305 3.300 1.00 0.00 C ATOM 917 O PHE A 59 0.653 -8.576 2.413 1.00 0.00 O ATOM 918 CB PHE A 59 -1.343 -8.112 4.861 1.00 0.00 C ATOM 919 CG PHE A 59 -1.594 -7.538 6.241 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.878 -8.391 7.324 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.422 -6.160 6.466 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.952 -7.874 8.629 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.508 -5.643 7.768 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.753 -6.501 8.853 1.00 0.00 C ATOM 0 H PHE A 59 1.189 -7.147 4.101 1.00 0.00 H new ATOM 0 HA PHE A 59 0.132 -9.564 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.449 -7.319 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.108 -8.857 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.039 -9.445 7.152 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.223 -5.499 5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.162 -8.532 9.459 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.386 -4.583 7.936 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.788 -6.106 9.858 1.00 0.00 H new ATOM 934 N VAL A 60 -0.167 -10.552 3.063 1.00 0.00 N ATOM 935 CA VAL A 60 -0.186 -11.254 1.787 1.00 0.00 C ATOM 936 C VAL A 60 -1.522 -12.015 1.714 1.00 0.00 C ATOM 937 O VAL A 60 -2.063 -12.447 2.729 1.00 0.00 O ATOM 938 CB VAL A 60 1.059 -12.165 1.666 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.993 -13.091 0.446 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.344 -11.329 1.511 1.00 0.00 C ATOM 0 H VAL A 60 -0.501 -11.147 3.821 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.129 -10.573 0.937 1.00 0.00 H new ATOM 0 HB VAL A 60 1.074 -12.755 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.891 -13.708 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.115 -13.732 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.927 -12.492 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.203 -11.995 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.273 -10.715 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.466 -10.685 2.382 1.00 0.00 H new ATOM 950 N LEU A 61 -2.074 -12.084 0.505 1.00 0.00 N ATOM 951 CA LEU A 61 -3.348 -12.713 0.144 1.00 0.00 C ATOM 952 C LEU A 61 -3.161 -14.232 -0.009 1.00 0.00 C ATOM 953 O LEU A 61 -2.229 -14.618 -0.718 1.00 0.00 O ATOM 954 CB LEU A 61 -3.735 -12.120 -1.220 1.00 0.00 C ATOM 955 CG LEU A 61 -5.203 -12.189 -1.695 1.00 0.00 C ATOM 956 CD1 LEU A 61 -5.416 -11.894 -3.185 1.00 0.00 C ATOM 957 CD2 LEU A 61 -6.232 -13.065 -1.002 1.00 0.00 C ATOM 0 H LEU A 61 -1.613 -11.674 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.107 -12.536 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.444 -11.070 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.125 -12.615 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.551 -11.307 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.477 -11.967 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.062 -10.888 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.860 -12.617 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.195 -12.959 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.913 -14.106 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.328 -12.759 0.040 1.00 0.00 H new ATOM 969 N GLU A 62 -4.046 -15.069 0.546 1.00 0.00 N ATOM 970 CA GLU A 62 -4.023 -16.530 0.363 1.00 0.00 C ATOM 971 C GLU A 62 -5.194 -17.008 -0.496 1.00 0.00 C ATOM 972 O GLU A 62 -6.176 -16.291 -0.637 1.00 0.00 O ATOM 973 CB GLU A 62 -4.082 -17.299 1.677 1.00 0.00 C ATOM 974 CG GLU A 62 -3.016 -16.797 2.640 1.00 0.00 C ATOM 975 CD GLU A 62 -2.158 -17.865 3.319 1.00 0.00 C ATOM 976 OE1 GLU A 62 -1.839 -18.912 2.701 1.00 0.00 O ATOM 977 OE2 GLU A 62 -1.684 -17.609 4.448 1.00 0.00 O ATOM 0 H GLU A 62 -4.809 -14.749 1.143 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.072 -16.733 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.068 -17.186 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.938 -18.363 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.355 -16.122 2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.506 -16.208 3.415 1.00 0.00 H new ATOM 984 N GLU A 63 -5.202 -18.261 -0.954 1.00 0.00 N ATOM 985 CA GLU A 63 -6.294 -18.817 -1.762 1.00 0.00 C ATOM 986 C GLU A 63 -7.642 -18.823 -1.022 1.00 0.00 C ATOM 987 O GLU A 63 -8.700 -19.005 -1.632 1.00 0.00 O ATOM 988 CB GLU A 63 -5.974 -20.239 -2.250 1.00 0.00 C ATOM 989 CG GLU A 63 -4.597 -20.379 -2.914 1.00 0.00 C ATOM 990 CD GLU A 63 -3.562 -20.918 -1.924 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.141 -20.169 -1.011 1.00 0.00 O ATOM 992 OE2 GLU A 63 -3.175 -22.097 -2.081 1.00 0.00 O ATOM 0 H GLU A 63 -4.448 -18.924 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.385 -18.154 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.028 -20.923 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.741 -20.549 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.669 -21.049 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.272 -19.410 -3.293 1.00 0.00 H new ATOM 999 N ASP A 64 -7.617 -18.639 0.295 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.769 -18.439 1.167 1.00 0.00 C ATOM 1001 C ASP A 64 -9.383 -17.039 1.023 1.00 0.00 C ATOM 1002 O ASP A 64 -10.371 -16.755 1.698 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.342 -18.703 2.620 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.689 -20.126 3.036 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.811 -20.354 3.537 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -7.863 -21.044 2.815 1.00 0.00 O ATOM 0 H ASP A 64 -6.738 -18.625 0.813 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.548 -19.142 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.269 -18.541 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.837 -17.994 3.284 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.827 -16.140 0.190 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.219 -14.753 0.013 1.00 0.00 C ATOM 1013 C ALA A 65 -8.774 -13.888 1.188 1.00 0.00 C ATOM 1014 O ALA A 65 -8.846 -12.661 1.064 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.718 -14.580 -0.286 1.00 0.00 C ATOM 0 H ALA A 65 -8.042 -16.392 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.694 -14.402 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.945 -13.521 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.970 -15.112 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.303 -14.984 0.540 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.332 -14.477 2.306 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.853 -13.705 3.432 1.00 0.00 C ATOM 1023 C HIS A 66 -6.475 -13.130 3.182 1.00 0.00 C ATOM 1024 O HIS A 66 -5.697 -13.629 2.373 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.985 -14.436 4.780 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.320 -15.782 4.923 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -6.147 -16.205 4.350 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -7.776 -16.791 5.744 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -5.901 -17.505 4.817 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -6.917 -17.812 5.643 1.00 0.00 N flip ATOM 0 H HIS A 66 -8.301 -15.487 2.444 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.524 -12.851 3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.585 -13.782 5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.047 -14.565 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.665 -16.763 6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.061 -18.135 4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.019 -18.704 6.128 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.200 -12.067 3.918 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.939 -11.382 3.976 1.00 0.00 C ATOM 1040 C TRP A 67 -4.317 -11.805 5.291 1.00 0.00 C ATOM 1041 O TRP A 67 -4.704 -11.310 6.354 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.193 -9.884 3.814 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.430 -9.524 2.382 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.596 -9.550 1.697 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.415 -9.171 1.414 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.350 -9.213 0.376 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.024 -8.935 0.154 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.025 -9.029 1.494 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.297 -8.504 -0.966 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.280 -8.644 0.378 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.906 -8.352 -0.848 1.00 0.00 C ATOM 0 H TRP A 67 -6.900 -11.640 4.525 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.239 -11.630 3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.057 -9.593 4.412 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.338 -9.325 4.195 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.562 -9.794 2.113 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.069 -9.176 -0.346 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.522 -9.220 2.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.797 -8.293 -1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.205 -8.569 0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.322 -8.014 -1.691 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.452 -12.812 5.226 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.721 -13.331 6.368 1.00 0.00 C ATOM 1064 C HIS A 68 -1.495 -12.449 6.647 1.00 0.00 C ATOM 1065 O HIS A 68 -1.072 -11.671 5.780 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.366 -14.812 6.119 1.00 0.00 C ATOM 1067 CG HIS A 68 -3.223 -15.759 6.931 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -4.557 -15.622 7.205 1.00 0.00 N flip ATOM 1069 CD2 HIS A 68 -2.786 -16.877 7.605 1.00 0.00 C flip ATOM 1070 CE1 HIS A 68 -4.916 -16.623 8.117 1.00 0.00 C flip ATOM 1071 NE2 HIS A 68 -3.822 -17.386 8.291 1.00 0.00 N flip ATOM 0 H HIS A 68 -3.237 -13.299 4.356 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.337 -13.298 7.267 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.485 -15.037 5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.317 -14.977 6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.783 -17.276 7.585 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.879 -16.756 8.587 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.785 -18.230 8.862 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.928 -12.534 7.862 1.00 0.00 N ATOM 1080 CA PRO A 69 0.169 -11.682 8.276 1.00 0.00 C ATOM 1081 C PRO A 69 1.448 -12.142 7.584 1.00 0.00 C ATOM 1082 O PRO A 69 1.619 -13.329 7.288 1.00 0.00 O ATOM 1083 CB PRO A 69 0.234 -11.832 9.795 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.271 -13.247 10.046 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.305 -13.436 8.941 1.00 0.00 C ATOM 0 HA PRO A 69 0.037 -10.634 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.250 -11.699 10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.388 -11.091 10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.532 -13.981 9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.714 -13.349 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.319 -14.470 8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.307 -13.208 9.305 1.00 0.00 H new ATOM 1093 N ALA A 70 2.350 -11.203 7.314 1.00 0.00 N ATOM 1094 CA ALA A 70 3.538 -11.420 6.501 1.00 0.00 C ATOM 1095 C ALA A 70 4.755 -10.711 7.115 1.00 0.00 C ATOM 1096 O ALA A 70 5.581 -10.167 6.378 1.00 0.00 O ATOM 1097 CB ALA A 70 3.227 -10.993 5.061 1.00 0.00 C ATOM 0 H ALA A 70 2.271 -10.248 7.664 1.00 0.00 H new ATOM 0 HA ALA A 70 3.807 -12.476 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.107 -11.149 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.399 -11.588 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.953 -9.938 5.045 1.00 0.00 H new ATOM 1103 N ALA A 71 4.828 -10.712 8.454 1.00 0.00 N ATOM 1104 CA ALA A 71 5.796 -10.041 9.325 1.00 0.00 C ATOM 1105 C ALA A 71 5.712 -8.504 9.251 1.00 0.00 C ATOM 1106 O ALA A 71 5.108 -7.944 8.329 1.00 0.00 O ATOM 1107 CB ALA A 71 7.205 -10.585 9.042 1.00 0.00 C ATOM 0 H ALA A 71 4.145 -11.233 9.004 1.00 0.00 H new ATOM 0 HA ALA A 71 5.544 -10.273 10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.925 -10.085 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.226 -11.658 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.465 -10.398 8.000 1.00 0.00 H new ATOM 1113 N PRO A 72 6.308 -7.774 10.214 1.00 0.00 N ATOM 1114 CA PRO A 72 6.470 -6.334 10.093 1.00 0.00 C ATOM 1115 C PRO A 72 7.500 -5.967 9.014 1.00 0.00 C ATOM 1116 O PRO A 72 8.067 -6.835 8.342 1.00 0.00 O ATOM 1117 CB PRO A 72 6.887 -5.839 11.476 1.00 0.00 C ATOM 1118 CG PRO A 72 7.615 -7.044 12.065 1.00 0.00 C ATOM 1119 CD PRO A 72 6.807 -8.217 11.510 1.00 0.00 C ATOM 0 HA PRO A 72 5.543 -5.858 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.536 -4.966 11.414 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.025 -5.553 12.079 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.658 -7.083 11.750 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.612 -7.028 13.155 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.428 -9.107 11.407 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.986 -8.477 12.178 1.00 0.00 H new ATOM 1127 N LEU A 73 7.742 -4.665 8.846 1.00 0.00 N ATOM 1128 CA LEU A 73 8.557 -4.080 7.791 1.00 0.00 C ATOM 1129 C LEU A 73 9.599 -3.138 8.430 1.00 0.00 C ATOM 1130 O LEU A 73 9.275 -2.487 9.428 1.00 0.00 O ATOM 1131 CB LEU A 73 7.543 -3.478 6.795 1.00 0.00 C ATOM 1132 CG LEU A 73 8.075 -3.006 5.437 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.065 -3.005 4.289 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.538 -1.594 5.592 1.00 0.00 C ATOM 0 H LEU A 73 7.355 -3.961 9.474 1.00 0.00 H new ATOM 0 HA LEU A 73 9.181 -4.770 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.769 -4.224 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.060 -2.630 7.280 1.00 0.00 H new ATOM 0 HG LEU A 73 8.855 -3.719 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.550 -2.654 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.690 -4.017 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.234 -2.344 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.923 -1.231 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.702 -0.970 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.327 -1.550 6.342 1.00 0.00 H new ATOM 1146 N PRO A 74 10.841 -3.045 7.911 1.00 0.00 N ATOM 1147 CA PRO A 74 11.906 -2.232 8.497 1.00 0.00 C ATOM 1148 C PRO A 74 11.787 -0.766 8.061 1.00 0.00 C ATOM 1149 O PRO A 74 11.144 -0.485 7.052 1.00 0.00 O ATOM 1150 CB PRO A 74 13.205 -2.854 7.971 1.00 0.00 C ATOM 1151 CG PRO A 74 12.830 -3.439 6.616 1.00 0.00 C ATOM 1152 CD PRO A 74 11.355 -3.791 6.771 1.00 0.00 C ATOM 0 HA PRO A 74 11.862 -2.226 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.992 -2.106 7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.577 -3.625 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.988 -2.720 5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.429 -4.318 6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.803 -3.536 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.232 -4.863 6.928 1.00 0.00 H new ATOM 1160 N PRO A 75 12.469 0.184 8.714 1.00 0.00 N ATOM 1161 CA PRO A 75 12.351 1.595 8.355 1.00 0.00 C ATOM 1162 C PRO A 75 12.773 1.887 6.908 1.00 0.00 C ATOM 1163 O PRO A 75 12.249 2.826 6.309 1.00 0.00 O ATOM 1164 CB PRO A 75 13.202 2.351 9.378 1.00 0.00 C ATOM 1165 CG PRO A 75 14.148 1.290 9.928 1.00 0.00 C ATOM 1166 CD PRO A 75 13.327 0.009 9.872 1.00 0.00 C ATOM 0 HA PRO A 75 11.310 1.917 8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.749 3.171 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.587 2.784 10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.054 1.211 9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.460 1.521 10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.965 -0.868 9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.744 -0.130 10.782 1.00 0.00 H new ATOM 1174 N GLU A 76 13.685 1.092 6.337 1.00 0.00 N ATOM 1175 CA GLU A 76 14.101 1.209 4.942 1.00 0.00 C ATOM 1176 C GLU A 76 13.163 0.470 3.980 1.00 0.00 C ATOM 1177 O GLU A 76 13.155 0.782 2.790 1.00 0.00 O ATOM 1178 CB GLU A 76 15.530 0.663 4.778 1.00 0.00 C ATOM 1179 CG GLU A 76 15.691 -0.804 5.205 1.00 0.00 C ATOM 1180 CD GLU A 76 16.975 -1.427 4.663 1.00 0.00 C ATOM 1181 OE1 GLU A 76 18.040 -0.777 4.759 1.00 0.00 O ATOM 1182 OE2 GLU A 76 16.910 -2.574 4.157 1.00 0.00 O ATOM 0 H GLU A 76 14.158 0.341 6.840 1.00 0.00 H new ATOM 0 HA GLU A 76 14.064 2.268 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.828 0.762 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.213 1.278 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.691 -0.866 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.834 -1.379 4.853 1.00 0.00 H new ATOM 1189 N GLY A 77 12.371 -0.501 4.457 1.00 0.00 N ATOM 1190 CA GLY A 77 11.559 -1.343 3.591 1.00 0.00 C ATOM 1191 C GLY A 77 10.505 -0.525 2.849 1.00 0.00 C ATOM 1192 O GLY A 77 10.072 -0.916 1.764 1.00 0.00 O ATOM 0 H GLY A 77 12.281 -0.718 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.200 -1.852 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.071 -2.115 4.185 1.00 0.00 H new ATOM 1196 N LEU A 78 10.105 0.601 3.449 1.00 0.00 N ATOM 1197 CA LEU A 78 9.197 1.591 2.903 1.00 0.00 C ATOM 1198 C LEU A 78 9.816 2.163 1.629 1.00 0.00 C ATOM 1199 O LEU A 78 9.189 2.152 0.570 1.00 0.00 O ATOM 1200 CB LEU A 78 8.971 2.680 3.973 1.00 0.00 C ATOM 1201 CG LEU A 78 8.345 3.995 3.463 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.978 3.773 2.814 1.00 0.00 C ATOM 1203 CD2 LEU A 78 8.186 4.974 4.629 1.00 0.00 C ATOM 0 H LEU A 78 10.431 0.852 4.383 1.00 0.00 H new ATOM 0 HA LEU A 78 8.231 1.157 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.328 2.271 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.929 2.911 4.439 1.00 0.00 H new ATOM 0 HG LEU A 78 9.016 4.401 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.579 4.728 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.084 3.098 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.296 3.335 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.744 5.902 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.538 4.535 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.163 5.183 5.064 1.00 0.00 H new ATOM 1215 N ASN A 79 11.067 2.627 1.719 1.00 0.00 N ATOM 1216 CA ASN A 79 11.790 3.186 0.589 1.00 0.00 C ATOM 1217 C ASN A 79 11.983 2.119 -0.486 1.00 0.00 C ATOM 1218 O ASN A 79 11.929 2.438 -1.664 1.00 0.00 O ATOM 1219 CB ASN A 79 13.155 3.748 1.021 1.00 0.00 C ATOM 1220 CG ASN A 79 13.107 4.630 2.255 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.421 4.171 3.346 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.721 5.889 2.165 1.00 0.00 N ATOM 0 H ASN A 79 11.603 2.622 2.587 1.00 0.00 H new ATOM 0 HA ASN A 79 11.199 4.007 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.834 2.916 1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.576 4.322 0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.686 6.473 3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.458 6.278 1.260 1.00 0.00 H new ATOM 1229 N ASP A 80 12.180 0.860 -0.091 1.00 0.00 N ATOM 1230 CA ASP A 80 12.365 -0.320 -0.950 1.00 0.00 C ATOM 1231 C ASP A 80 11.105 -0.669 -1.749 1.00 0.00 C ATOM 1232 O ASP A 80 11.190 -1.152 -2.883 1.00 0.00 O ATOM 1233 CB ASP A 80 12.732 -1.503 -0.025 1.00 0.00 C ATOM 1234 CG ASP A 80 13.933 -2.350 -0.425 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.499 -2.162 -1.526 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.322 -3.219 0.391 1.00 0.00 O ATOM 0 H ASP A 80 12.218 0.618 0.899 1.00 0.00 H new ATOM 0 HA ASP A 80 13.148 -0.110 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.915 -1.107 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.864 -2.159 0.046 1.00 0.00 H new ATOM 1241 N LEU A 81 9.924 -0.411 -1.181 1.00 0.00 N ATOM 1242 CA LEU A 81 8.669 -0.396 -1.921 1.00 0.00 C ATOM 1243 C LEU A 81 8.699 0.784 -2.890 1.00 0.00 C ATOM 1244 O LEU A 81 8.737 0.590 -4.107 1.00 0.00 O ATOM 1245 CB LEU A 81 7.474 -0.326 -0.947 1.00 0.00 C ATOM 1246 CG LEU A 81 6.751 -1.672 -0.761 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.671 -2.787 -0.253 1.00 0.00 C ATOM 1248 CD2 LEU A 81 5.627 -1.493 0.259 1.00 0.00 C ATOM 0 H LEU A 81 9.816 -0.206 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 81 8.548 -1.315 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.827 0.025 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.761 0.413 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 81 6.377 -1.967 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.099 -3.709 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.480 -2.944 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.089 -2.502 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.108 -2.441 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.047 -1.166 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.923 -0.744 -0.103 1.00 0.00 H new ATOM 1260 N ILE A 82 8.697 2.007 -2.353 1.00 0.00 N ATOM 1261 CA ILE A 82 8.539 3.267 -3.084 1.00 0.00 C ATOM 1262 C ILE A 82 9.549 3.397 -4.234 1.00 0.00 C ATOM 1263 O ILE A 82 9.239 4.005 -5.259 1.00 0.00 O ATOM 1264 CB ILE A 82 8.627 4.433 -2.071 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.412 4.451 -1.112 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.798 5.801 -2.752 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.117 4.999 -1.725 1.00 0.00 C ATOM 0 H ILE A 82 8.811 2.152 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 82 7.561 3.293 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 82 9.526 4.251 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.230 3.436 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.666 5.051 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.854 6.581 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.715 5.802 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.947 5.991 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.322 4.973 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.275 6.027 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.832 4.387 -2.581 1.00 0.00 H new ATOM 1279 N ARG A 83 10.729 2.790 -4.104 1.00 0.00 N ATOM 1280 CA ARG A 83 11.764 2.690 -5.123 1.00 0.00 C ATOM 1281 C ARG A 83 11.165 2.314 -6.475 1.00 0.00 C ATOM 1282 O ARG A 83 11.469 2.994 -7.453 1.00 0.00 O ATOM 1283 CB ARG A 83 12.845 1.692 -4.639 1.00 0.00 C ATOM 1284 CG ARG A 83 14.158 2.370 -4.196 1.00 0.00 C ATOM 1285 CD ARG A 83 15.384 1.725 -4.852 1.00 0.00 C ATOM 1286 NE ARG A 83 15.466 2.025 -6.296 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.087 1.271 -7.213 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.689 0.132 -6.876 1.00 0.00 N ATOM 1289 NH2 ARG A 83 16.115 1.656 -8.482 1.00 0.00 N ATOM 0 H ARG A 83 10.999 2.330 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 83 12.242 3.658 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.446 1.113 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.063 0.988 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.124 3.429 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.251 2.307 -3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.288 2.080 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.345 0.645 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 83 15.012 2.878 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.683 -0.180 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.156 -0.428 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.663 2.527 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.588 1.081 -9.179 1.00 0.00 H new ATOM 1303 N ALA A 84 10.284 1.316 -6.535 1.00 0.00 N ATOM 1304 CA ALA A 84 9.647 0.887 -7.775 1.00 0.00 C ATOM 1305 C ALA A 84 8.785 2.001 -8.383 1.00 0.00 C ATOM 1306 O ALA A 84 8.910 2.297 -9.570 1.00 0.00 O ATOM 1307 CB ALA A 84 8.885 -0.423 -7.522 1.00 0.00 C ATOM 0 H ALA A 84 9.992 0.780 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 84 10.406 0.682 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.406 -0.750 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.582 -1.190 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.126 -0.260 -6.757 1.00 0.00 H new ATOM 1313 N HIS A 85 7.952 2.656 -7.577 1.00 0.00 N ATOM 1314 CA HIS A 85 7.081 3.743 -8.016 1.00 0.00 C ATOM 1315 C HIS A 85 7.925 4.883 -8.597 1.00 0.00 C ATOM 1316 O HIS A 85 7.679 5.380 -9.695 1.00 0.00 O ATOM 1317 CB HIS A 85 6.212 4.203 -6.834 1.00 0.00 C ATOM 1318 CG HIS A 85 5.134 5.195 -7.197 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.763 5.033 -7.084 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.351 6.462 -7.667 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.184 6.160 -7.514 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.110 7.060 -7.856 1.00 0.00 N ATOM 0 H HIS A 85 7.862 2.442 -6.584 1.00 0.00 H new ATOM 0 HA HIS A 85 6.414 3.401 -8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.745 3.328 -6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.857 4.648 -6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.313 6.915 -7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.118 6.320 -7.576 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.939 8.008 -8.192 1.00 0.00 H new ATOM 1330 N CYS A 86 8.956 5.304 -7.871 1.00 0.00 N ATOM 1331 CA CYS A 86 9.814 6.389 -8.323 1.00 0.00 C ATOM 1332 C CYS A 86 10.655 5.967 -9.530 1.00 0.00 C ATOM 1333 O CYS A 86 11.004 6.838 -10.319 1.00 0.00 O ATOM 1334 CB CYS A 86 10.710 6.814 -7.164 1.00 0.00 C ATOM 1335 SG CYS A 86 9.712 7.582 -5.850 1.00 0.00 S ATOM 0 H CYS A 86 9.216 4.909 -6.967 1.00 0.00 H new ATOM 0 HA CYS A 86 9.196 7.228 -8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.241 5.948 -6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.464 7.517 -7.516 1.00 0.00 H new ATOM 0 HG CYS A 86 10.487 7.937 -4.868 1.00 0.00 H new ATOM 1341 N ALA A 87 10.956 4.677 -9.702 1.00 0.00 N ATOM 1342 CA ALA A 87 11.697 4.147 -10.841 1.00 0.00 C ATOM 1343 C ALA A 87 10.844 4.001 -12.110 1.00 0.00 C ATOM 1344 O ALA A 87 11.409 3.813 -13.190 1.00 0.00 O ATOM 1345 CB ALA A 87 12.280 2.781 -10.468 1.00 0.00 C ATOM 0 H ALA A 87 10.682 3.957 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 87 12.484 4.866 -11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.835 2.379 -11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.949 2.892 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.471 2.099 -10.208 1.00 0.00 H new ATOM 1351 N THR A 88 9.512 4.064 -12.006 1.00 0.00 N ATOM 1352 CA THR A 88 8.627 3.964 -13.167 1.00 0.00 C ATOM 1353 C THR A 88 8.175 5.350 -13.651 1.00 0.00 C ATOM 1354 O THR A 88 7.760 5.473 -14.805 1.00 0.00 O ATOM 1355 CB THR A 88 7.501 2.945 -12.888 1.00 0.00 C ATOM 1356 OG1 THR A 88 6.867 2.535 -14.075 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.409 3.372 -11.910 1.00 0.00 C ATOM 0 H THR A 88 9.022 4.185 -11.120 1.00 0.00 H new ATOM 0 HA THR A 88 9.170 3.561 -14.022 1.00 0.00 H new ATOM 0 HB THR A 88 8.048 2.134 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.161 1.889 -13.863 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.682 2.567 -11.803 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.855 3.590 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.910 4.264 -12.289 1.00 0.00 H new ATOM 1365 N LEU A 89 8.319 6.393 -12.822 1.00 0.00 N ATOM 1366 CA LEU A 89 7.964 7.775 -13.158 1.00 0.00 C ATOM 1367 C LEU A 89 9.216 8.632 -13.325 1.00 0.00 C ATOM 1368 O LEU A 89 9.303 9.433 -14.251 1.00 0.00 O ATOM 1369 CB LEU A 89 7.062 8.375 -12.064 1.00 0.00 C ATOM 1370 CG LEU A 89 5.739 7.611 -11.861 1.00 0.00 C ATOM 1371 CD1 LEU A 89 4.986 8.206 -10.677 1.00 0.00 C ATOM 1372 CD2 LEU A 89 4.843 7.622 -13.103 1.00 0.00 C ATOM 0 H LEU A 89 8.694 6.295 -11.879 1.00 0.00 H new ATOM 0 HA LEU A 89 7.421 7.765 -14.103 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.610 8.390 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.837 9.411 -12.319 1.00 0.00 H new ATOM 0 HG LEU A 89 5.996 6.570 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.050 7.666 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.596 8.121 -9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.772 9.257 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.927 7.068 -12.896 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.594 8.651 -13.363 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.369 7.155 -13.936 1.00 0.00 H new ATOM 1384 N GLY A 90 10.202 8.448 -12.446 1.00 0.00 N ATOM 1385 CA GLY A 90 11.451 9.186 -12.427 1.00 0.00 C ATOM 1386 C GLY A 90 11.464 10.222 -11.325 1.00 0.00 C ATOM 1387 O GLY A 90 11.504 11.415 -11.611 1.00 0.00 O ATOM 0 H GLY A 90 10.143 7.753 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.282 8.494 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.601 9.675 -13.390 1.00 0.00 H new ATOM 1391 N HIS A 91 11.421 9.779 -10.068 1.00 0.00 N ATOM 1392 CA HIS A 91 11.480 10.652 -8.901 1.00 0.00 C ATOM 1393 C HIS A 91 12.519 10.169 -7.895 1.00 0.00 C ATOM 1394 O HIS A 91 13.086 9.079 -8.003 1.00 0.00 O ATOM 1395 CB HIS A 91 10.074 10.801 -8.281 1.00 0.00 C ATOM 1396 CG HIS A 91 9.348 11.974 -8.878 1.00 0.00 C ATOM 1397 ND1 HIS A 91 9.314 13.263 -8.382 1.00 0.00 N ATOM 1398 CD2 HIS A 91 8.743 11.976 -10.101 1.00 0.00 C ATOM 1399 CE1 HIS A 91 8.687 14.030 -9.289 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.383 13.302 -10.376 1.00 0.00 N ATOM 0 H HIS A 91 11.343 8.790 -9.831 1.00 0.00 H new ATOM 0 HA HIS A 91 11.806 11.643 -9.217 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.500 9.889 -8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.159 10.931 -7.202 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.574 11.119 -10.736 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.460 15.078 -9.163 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.968 13.650 -11.240 1.00 0.00 H new ATOM 1494 N HIS A 98 13.969 10.479 2.495 1.00 0.00 N ATOM 1495 CA HIS A 98 12.923 10.293 1.482 1.00 0.00 C ATOM 1496 C HIS A 98 11.580 10.632 2.154 1.00 0.00 C ATOM 1497 O HIS A 98 11.075 11.732 1.956 1.00 0.00 O ATOM 1498 CB HIS A 98 12.972 8.871 0.883 1.00 0.00 C ATOM 1499 CG HIS A 98 13.760 8.666 -0.382 1.00 0.00 C ATOM 1500 ND1 HIS A 98 15.077 8.271 -0.487 1.00 0.00 N ATOM 1501 CD2 HIS A 98 13.230 8.694 -1.641 1.00 0.00 C ATOM 1502 CE1 HIS A 98 15.321 8.062 -1.793 1.00 0.00 C ATOM 1503 NE2 HIS A 98 14.233 8.330 -2.543 1.00 0.00 N ATOM 0 HA HIS A 98 13.071 10.956 0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.378 8.202 1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.947 8.553 0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.213 8.953 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.267 7.723 -2.190 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.158 8.278 -3.559 1.00 0.00 H new ATOM 1511 N LEU A 99 10.992 9.713 2.921 1.00 0.00 N ATOM 1512 CA LEU A 99 9.610 9.743 3.359 1.00 0.00 C ATOM 1513 C LEU A 99 9.550 9.430 4.851 1.00 0.00 C ATOM 1514 O LEU A 99 9.672 8.275 5.250 1.00 0.00 O ATOM 1515 CB LEU A 99 8.781 8.772 2.502 1.00 0.00 C ATOM 1516 CG LEU A 99 8.722 9.173 1.010 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.040 8.065 0.214 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.989 10.502 0.789 1.00 0.00 C ATOM 0 H LEU A 99 11.494 8.895 3.265 1.00 0.00 H new ATOM 0 HA LEU A 99 9.177 10.734 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.205 7.771 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.767 8.723 2.899 1.00 0.00 H new ATOM 0 HG LEU A 99 9.747 9.311 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.998 8.346 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.606 7.140 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.028 7.916 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.976 10.738 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.966 10.418 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.504 11.296 1.330 1.00 0.00 H new ATOM 1530 N HIS A 100 9.320 10.474 5.653 1.00 0.00 N ATOM 1531 CA HIS A 100 9.178 10.474 7.111 1.00 0.00 C ATOM 1532 C HIS A 100 8.277 9.367 7.666 1.00 0.00 C ATOM 1533 O HIS A 100 8.537 8.818 8.745 1.00 0.00 O ATOM 1534 CB HIS A 100 8.647 11.876 7.493 1.00 0.00 C ATOM 1535 CG HIS A 100 7.842 12.005 8.769 1.00 0.00 C ATOM 1536 ND1 HIS A 100 6.615 12.625 8.842 1.00 0.00 N ATOM 1537 CD2 HIS A 100 8.109 11.478 10.004 1.00 0.00 C ATOM 1538 CE1 HIS A 100 6.148 12.471 10.092 1.00 0.00 C ATOM 1539 NE2 HIS A 100 7.039 11.803 10.845 1.00 0.00 N ATOM 0 H HIS A 100 9.221 11.414 5.269 1.00 0.00 H new ATOM 0 HA HIS A 100 10.148 10.261 7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.502 12.548 7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.029 12.235 6.670 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.144 13.115 8.081 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.987 10.913 10.280 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.192 12.832 10.442 1.00 0.00 H new ATOM 1547 N SER A 101 7.170 9.107 6.989 1.00 0.00 N ATOM 1548 CA SER A 101 6.096 8.271 7.479 1.00 0.00 C ATOM 1549 C SER A 101 5.263 7.842 6.278 1.00 0.00 C ATOM 1550 O SER A 101 5.361 8.423 5.192 1.00 0.00 O ATOM 1551 CB SER A 101 5.294 9.106 8.487 1.00 0.00 C ATOM 1552 OG SER A 101 4.235 8.431 9.128 1.00 0.00 O ATOM 0 H SER A 101 6.993 9.484 6.058 1.00 0.00 H new ATOM 0 HA SER A 101 6.446 7.370 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.978 9.479 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.888 9.975 7.970 1.00 0.00 H new ATOM 0 HG SER A 101 3.787 9.042 9.750 1.00 0.00 H new ATOM 1558 N VAL A 102 4.412 6.845 6.490 1.00 0.00 N ATOM 1559 CA VAL A 102 3.473 6.368 5.490 1.00 0.00 C ATOM 1560 C VAL A 102 2.516 7.507 5.123 1.00 0.00 C ATOM 1561 O VAL A 102 2.262 7.730 3.944 1.00 0.00 O ATOM 1562 CB VAL A 102 2.773 5.102 6.023 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.569 4.713 5.166 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.777 3.941 6.085 1.00 0.00 C ATOM 0 H VAL A 102 4.357 6.340 7.375 1.00 0.00 H new ATOM 0 HA VAL A 102 3.975 6.077 4.567 1.00 0.00 H new ATOM 0 HB VAL A 102 2.403 5.321 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.105 3.816 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.845 5.528 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.897 4.517 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.278 3.048 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.167 3.744 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.599 4.206 6.750 1.00 0.00 H new ATOM 1574 N MET A 103 2.023 8.266 6.102 1.00 0.00 N ATOM 1575 CA MET A 103 1.143 9.405 5.878 1.00 0.00 C ATOM 1576 C MET A 103 1.779 10.431 4.940 1.00 0.00 C ATOM 1577 O MET A 103 1.115 10.925 4.027 1.00 0.00 O ATOM 1578 CB MET A 103 0.784 10.026 7.232 1.00 0.00 C ATOM 1579 CG MET A 103 -0.100 11.267 7.071 1.00 0.00 C ATOM 1580 SD MET A 103 -1.414 11.442 8.299 1.00 0.00 S ATOM 1581 CE MET A 103 -2.568 10.218 7.623 1.00 0.00 C ATOM 0 H MET A 103 2.229 8.101 7.087 1.00 0.00 H new ATOM 0 HA MET A 103 0.232 9.064 5.387 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.267 9.288 7.845 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.697 10.296 7.762 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.534 12.153 7.112 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.552 11.245 6.079 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.459 10.174 8.249 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.850 10.504 6.610 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.090 9.239 7.604 1.00 0.00 H new ATOM 1591 N ASP A 104 3.056 10.747 5.160 1.00 0.00 N ATOM 1592 CA ASP A 104 3.784 11.680 4.302 1.00 0.00 C ATOM 1593 C ASP A 104 3.962 11.089 2.902 1.00 0.00 C ATOM 1594 O ASP A 104 3.793 11.793 1.906 1.00 0.00 O ATOM 1595 CB ASP A 104 5.128 12.112 4.930 1.00 0.00 C ATOM 1596 CG ASP A 104 5.093 13.563 5.433 1.00 0.00 C ATOM 1597 OD1 ASP A 104 4.543 14.436 4.723 1.00 0.00 O ATOM 1598 OD2 ASP A 104 5.641 13.831 6.529 1.00 0.00 O ATOM 0 H ASP A 104 3.609 10.368 5.929 1.00 0.00 H new ATOM 0 HA ASP A 104 3.189 12.588 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.370 11.447 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.923 12.004 4.192 1.00 0.00 H new ATOM 1603 N ALA A 105 4.218 9.779 2.809 1.00 0.00 N ATOM 1604 CA ALA A 105 4.311 9.078 1.536 1.00 0.00 C ATOM 1605 C ALA A 105 3.023 9.187 0.719 1.00 0.00 C ATOM 1606 O ALA A 105 3.114 9.277 -0.501 1.00 0.00 O ATOM 1607 CB ALA A 105 4.675 7.604 1.754 1.00 0.00 C ATOM 0 H ALA A 105 4.366 9.179 3.620 1.00 0.00 H new ATOM 0 HA ALA A 105 5.103 9.562 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.739 7.099 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.637 7.538 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.908 7.126 2.364 1.00 0.00 H new ATOM 1613 N ILE A 106 1.843 9.175 1.349 1.00 0.00 N ATOM 1614 CA ILE A 106 0.581 9.335 0.633 1.00 0.00 C ATOM 1615 C ILE A 106 0.616 10.660 -0.128 1.00 0.00 C ATOM 1616 O ILE A 106 0.449 10.655 -1.344 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.639 9.213 1.583 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.745 7.828 2.262 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.971 9.540 0.886 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.908 6.625 1.325 1.00 0.00 C ATOM 0 H ILE A 106 1.740 9.055 2.357 1.00 0.00 H new ATOM 0 HA ILE A 106 0.461 8.526 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.457 9.959 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.149 7.673 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.593 7.846 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.789 9.438 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.943 10.562 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.126 8.851 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.971 5.710 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.819 6.742 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.050 6.566 0.656 1.00 0.00 H new ATOM 1632 N ASP A 107 0.819 11.788 0.559 1.00 0.00 N ATOM 1633 CA ASP A 107 0.638 13.102 -0.063 1.00 0.00 C ATOM 1634 C ASP A 107 1.806 13.494 -0.957 1.00 0.00 C ATOM 1635 O ASP A 107 1.654 14.346 -1.830 1.00 0.00 O ATOM 1636 CB ASP A 107 0.435 14.191 0.994 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.756 15.115 0.676 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -1.391 15.025 -0.402 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -1.098 15.984 1.511 1.00 0.00 O ATOM 0 H ASP A 107 1.106 11.818 1.537 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.254 13.017 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.277 13.723 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.343 14.789 1.072 1.00 0.00 H new ATOM 1644 N PHE A 108 2.969 12.877 -0.746 1.00 0.00 N ATOM 1645 CA PHE A 108 4.060 12.893 -1.718 1.00 0.00 C ATOM 1646 C PHE A 108 3.551 12.356 -3.056 1.00 0.00 C ATOM 1647 O PHE A 108 3.546 13.071 -4.055 1.00 0.00 O ATOM 1648 CB PHE A 108 5.269 12.086 -1.204 1.00 0.00 C ATOM 1649 CG PHE A 108 6.392 11.952 -2.222 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.256 13.033 -2.473 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.544 10.764 -2.963 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.266 12.924 -3.447 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.536 10.659 -3.954 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.404 11.739 -4.190 1.00 0.00 C ATOM 0 H PHE A 108 3.180 12.353 0.103 1.00 0.00 H new ATOM 0 HA PHE A 108 4.402 13.918 -1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.660 12.565 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.933 11.091 -0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.144 13.951 -1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.892 9.925 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.936 13.752 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.631 9.752 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.176 11.658 -4.941 1.00 0.00 H new ATOM 1664 N LEU A 109 3.107 11.097 -3.071 1.00 0.00 N ATOM 1665 CA LEU A 109 2.675 10.427 -4.294 1.00 0.00 C ATOM 1666 C LEU A 109 1.456 11.121 -4.886 1.00 0.00 C ATOM 1667 O LEU A 109 1.331 11.235 -6.106 1.00 0.00 O ATOM 1668 CB LEU A 109 2.351 8.957 -4.008 1.00 0.00 C ATOM 1669 CG LEU A 109 3.541 8.140 -3.477 1.00 0.00 C ATOM 1670 CD1 LEU A 109 3.010 6.788 -3.009 1.00 0.00 C ATOM 1671 CD2 LEU A 109 4.649 7.929 -4.502 1.00 0.00 C ATOM 0 H LEU A 109 3.038 10.516 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 109 3.489 10.478 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.540 8.910 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.986 8.492 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 109 3.993 8.705 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.834 6.186 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.274 6.940 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.542 6.271 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.453 7.345 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.250 7.395 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.038 8.896 -4.822 1.00 0.00 H new ATOM 1683 N ASN A 110 0.552 11.593 -4.028 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.692 12.213 -4.460 1.00 0.00 C ATOM 1685 C ASN A 110 -0.455 13.513 -5.241 1.00 0.00 C ATOM 1686 O ASN A 110 -1.360 13.961 -5.948 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.650 12.436 -3.277 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.103 12.326 -3.720 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.716 13.284 -4.179 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -3.717 11.163 -3.565 1.00 0.00 N ATOM 0 H ASN A 110 0.665 11.554 -3.015 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.169 11.514 -5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.448 11.701 -2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.473 13.419 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.698 11.065 -3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.209 10.365 -3.183 1.00 0.00 H new ATOM 1697 N ALA A 111 0.737 14.114 -5.138 1.00 0.00 N ATOM 1698 CA ALA A 111 1.100 15.362 -5.804 1.00 0.00 C ATOM 1699 C ALA A 111 1.939 15.156 -7.073 1.00 0.00 C ATOM 1700 O ALA A 111 2.233 16.129 -7.772 1.00 0.00 O ATOM 1701 CB ALA A 111 1.842 16.247 -4.804 1.00 0.00 C ATOM 0 H ALA A 111 1.494 13.731 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 111 0.180 15.843 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.121 17.185 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.195 16.455 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.740 15.734 -4.461 1.00 0.00 H new ATOM 1707 N LEU A 112 2.346 13.919 -7.377 1.00 0.00 N ATOM 1708 CA LEU A 112 3.027 13.607 -8.635 1.00 0.00 C ATOM 1709 C LEU A 112 2.068 13.774 -9.820 1.00 0.00 C ATOM 1710 O LEU A 112 2.471 14.286 -10.864 1.00 0.00 O ATOM 1711 CB LEU A 112 3.594 12.179 -8.605 1.00 0.00 C ATOM 1712 CG LEU A 112 4.599 11.900 -7.468 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.183 10.491 -7.612 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.761 12.899 -7.428 1.00 0.00 C ATOM 0 H LEU A 112 2.214 13.114 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 112 3.856 14.304 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.765 11.477 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.082 11.978 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 112 4.036 12.001 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.891 10.306 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.378 9.757 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.696 10.406 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.430 12.646 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.310 12.857 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.370 13.906 -7.281 1.00 0.00 H new