USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 891 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 11 SER OG : rot 130:sc= 0.00261 USER MOD Set 1.2: A 13 HIS : no HD1:sc= -1.96 K(o=-6.3,f=-1.7) USER MOD Set 1.3: A 65 GLN : amide:sc=-0.00197 K(o=-6.3,f=-1.7) USER MOD Set 1.4: A 86 ASN : amide:sc= -4.32! C(o=-6.3!,f=-1.7!) USER MOD Set 2.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot -37:sc= 1.14 USER MOD Set 3.2: A 22 ASN : amide:sc= -0.452 K(o=0.77,f=-4!) USER MOD Set 3.3: A 117 THR OG1 : rot -91:sc= 0.0766 USER MOD Single : A 12 GLN : amide:sc= -5.15! C(o=-5.2!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.35) USER MOD Single : A 17 ASN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0429 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0899 K(o=-0.09,f=-0.76) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -98:sc= -1.14 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.26 K(o=-1.3,f=-2) USER MOD Single : A 39 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.013) USER MOD Single : A 40 THR OG1 : rot 79:sc= 0.197 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 49 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.6!) USER MOD Single : A 50 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.24) USER MOD Single : A 54 ASN : amide:sc= 0.0172 X(o=0.017,f=-0.0022) USER MOD Single : A 55 SER OG : rot -23:sc= 0.505 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 0.172 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot -99:sc= -0.857 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -2.83! K(o=-2.8!,f=-2) USER MOD Single : A 79 THR OG1 : rot 106:sc= 1.17 USER MOD Single : A 83 SER OG : rot 9:sc= -1.42 USER MOD Single : A 85 CYS SG : rot -100:sc= -12.9! USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -107:sc= -6.53! (180deg=-9.49!) USER MOD Single : A 107 THR OG1 : rot -102:sc= -0.913 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 109 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.3!) USER MOD Single : A 111 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 112 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.6!) USER MOD Single : A 115 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 154:sc= -0.0242 (180deg=-0.494) USER MOD Single : A 122 SER OG : rot 162:sc=-0.000673 USER MOD Single : A 127 SER OG : rot 34:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 11 1.780 18.997 -5.852 1.00 0.00 N ATOM 102 CA SER A 11 1.680 17.696 -5.200 1.00 0.00 C ATOM 103 C SER A 11 2.106 16.579 -6.145 1.00 0.00 C ATOM 104 O SER A 11 2.642 16.835 -7.223 1.00 0.00 O ATOM 105 CB SER A 11 0.249 17.454 -4.716 1.00 0.00 C ATOM 106 OG SER A 11 -0.598 17.089 -5.792 1.00 0.00 O ATOM 0 HA SER A 11 2.352 17.695 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.245 16.666 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.134 18.355 -4.237 1.00 0.00 H new ATOM 0 HG SER A 11 -1.100 16.281 -5.554 1.00 0.00 H new ATOM 111 N GLN A 12 1.865 15.339 -5.734 1.00 0.00 N ATOM 112 CA GLN A 12 2.224 14.182 -6.546 1.00 0.00 C ATOM 113 C GLN A 12 1.302 13.002 -6.255 1.00 0.00 C ATOM 114 O GLN A 12 1.006 12.703 -5.098 1.00 0.00 O ATOM 115 CB GLN A 12 3.678 13.783 -6.287 1.00 0.00 C ATOM 116 CG GLN A 12 4.039 13.720 -4.811 1.00 0.00 C ATOM 117 CD GLN A 12 5.274 14.534 -4.476 1.00 0.00 C ATOM 118 OE1 GLN A 12 5.252 15.379 -3.582 1.00 0.00 O ATOM 119 NE2 GLN A 12 6.362 14.281 -5.197 1.00 0.00 N ATOM 0 H GLN A 12 1.423 15.109 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 12 2.110 14.458 -7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.865 12.809 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.336 14.497 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.198 14.083 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.205 12.681 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.335 13.571 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.224 14.797 -5.018 1.00 0.00 H new ATOM 128 N HIS A 13 0.852 12.337 -7.314 1.00 0.00 N ATOM 129 CA HIS A 13 -0.036 11.188 -7.176 1.00 0.00 C ATOM 130 C HIS A 13 0.522 9.979 -7.919 1.00 0.00 C ATOM 131 O HIS A 13 0.625 9.986 -9.147 1.00 0.00 O ATOM 132 CB HIS A 13 -1.430 11.529 -7.707 1.00 0.00 C ATOM 133 CG HIS A 13 -2.052 12.717 -7.039 1.00 0.00 C ATOM 134 ND1 HIS A 13 -2.970 13.537 -7.661 1.00 0.00 N ATOM 135 CD2 HIS A 13 -1.884 13.221 -5.793 1.00 0.00 C ATOM 136 CE1 HIS A 13 -3.339 14.492 -6.828 1.00 0.00 C ATOM 137 NE2 HIS A 13 -2.695 14.324 -5.688 1.00 0.00 N ATOM 0 H HIS A 13 1.088 12.574 -8.278 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.109 10.940 -6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.365 11.718 -8.779 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.082 10.665 -7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.234 12.829 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.048 15.278 -7.043 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.785 14.917 -4.863 1.00 0.00 H new ATOM 146 N PHE A 14 0.881 8.942 -7.169 1.00 0.00 N ATOM 147 CA PHE A 14 1.430 7.727 -7.759 1.00 0.00 C ATOM 148 C PHE A 14 0.446 6.569 -7.636 1.00 0.00 C ATOM 149 O PHE A 14 0.030 6.208 -6.536 1.00 0.00 O ATOM 150 CB PHE A 14 2.754 7.363 -7.087 1.00 0.00 C ATOM 151 CG PHE A 14 3.916 8.182 -7.571 1.00 0.00 C ATOM 152 CD1 PHE A 14 4.504 7.918 -8.798 1.00 0.00 C ATOM 153 CD2 PHE A 14 4.419 9.219 -6.800 1.00 0.00 C ATOM 154 CE1 PHE A 14 5.572 8.671 -9.247 1.00 0.00 C ATOM 155 CE2 PHE A 14 5.487 9.975 -7.245 1.00 0.00 C ATOM 156 CZ PHE A 14 6.064 9.701 -8.470 1.00 0.00 C ATOM 0 H PHE A 14 0.802 8.919 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 14 1.608 7.915 -8.818 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.653 7.492 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.964 6.308 -7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.123 7.114 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.972 9.438 -5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.022 8.454 -10.205 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.870 10.780 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.898 10.291 -8.819 1.00 0.00 H new ATOM 166 N ASN A 15 0.076 5.992 -8.775 1.00 0.00 N ATOM 167 CA ASN A 15 -0.862 4.875 -8.799 1.00 0.00 C ATOM 168 C ASN A 15 -0.291 3.664 -8.068 1.00 0.00 C ATOM 169 O ASN A 15 0.779 3.164 -8.414 1.00 0.00 O ATOM 170 CB ASN A 15 -1.204 4.502 -10.244 1.00 0.00 C ATOM 171 CG ASN A 15 -2.697 4.500 -10.503 1.00 0.00 C ATOM 172 OD1 ASN A 15 -3.488 4.121 -9.640 1.00 0.00 O ATOM 173 ND2 ASN A 15 -3.091 4.926 -11.697 1.00 0.00 N ATOM 0 H ASN A 15 0.412 6.280 -9.694 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.772 5.186 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.722 5.206 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.798 3.515 -10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.084 4.948 -11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.401 5.231 -12.383 1.00 0.00 H new ATOM 180 N LEU A 16 -1.017 3.194 -7.058 1.00 0.00 N ATOM 181 CA LEU A 16 -0.589 2.039 -6.280 1.00 0.00 C ATOM 182 C LEU A 16 -1.423 0.813 -6.634 1.00 0.00 C ATOM 183 O LEU A 16 -2.624 0.772 -6.366 1.00 0.00 O ATOM 184 CB LEU A 16 -0.704 2.336 -4.783 1.00 0.00 C ATOM 185 CG LEU A 16 -0.068 1.292 -3.865 1.00 0.00 C ATOM 186 CD1 LEU A 16 1.451 1.352 -3.963 1.00 0.00 C ATOM 187 CD2 LEU A 16 -0.525 1.495 -2.428 1.00 0.00 C ATOM 0 H LEU A 16 -1.905 3.597 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 16 0.453 1.831 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.242 3.303 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.759 2.428 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.393 0.303 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.888 0.602 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.757 1.154 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.796 2.342 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.062 0.743 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.231 2.489 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.609 1.399 -2.374 1.00 0.00 H new ATOM 199 N ASN A 17 -0.785 -0.180 -7.242 1.00 0.00 N ATOM 200 CA ASN A 17 -1.480 -1.400 -7.637 1.00 0.00 C ATOM 201 C ASN A 17 -0.665 -2.641 -7.288 1.00 0.00 C ATOM 202 O ASN A 17 0.563 -2.637 -7.370 1.00 0.00 O ATOM 203 CB ASN A 17 -1.777 -1.378 -9.137 1.00 0.00 C ATOM 204 CG ASN A 17 -2.404 -0.072 -9.583 1.00 0.00 C ATOM 205 OD1 ASN A 17 -1.757 0.976 -9.570 1.00 0.00 O ATOM 206 ND2 ASN A 17 -3.669 -0.127 -9.981 1.00 0.00 N ATOM 0 H ASN A 17 0.209 -0.165 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.418 -1.443 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.852 -1.541 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.446 -2.202 -9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.143 0.721 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.167 -1.017 -9.975 1.00 0.00 H new ATOM 213 N PHE A 18 -1.363 -3.705 -6.905 1.00 0.00 N ATOM 214 CA PHE A 18 -0.721 -4.965 -6.548 1.00 0.00 C ATOM 215 C PHE A 18 -1.767 -6.015 -6.189 1.00 0.00 C ATOM 216 O PHE A 18 -2.570 -5.820 -5.277 1.00 0.00 O ATOM 217 CB PHE A 18 0.250 -4.764 -5.381 1.00 0.00 C ATOM 218 CG PHE A 18 -0.417 -4.336 -4.105 1.00 0.00 C ATOM 219 CD1 PHE A 18 -0.859 -3.033 -3.942 1.00 0.00 C ATOM 220 CD2 PHE A 18 -0.599 -5.237 -3.067 1.00 0.00 C ATOM 221 CE1 PHE A 18 -1.469 -2.635 -2.768 1.00 0.00 C ATOM 222 CE2 PHE A 18 -1.208 -4.844 -1.890 1.00 0.00 C ATOM 223 CZ PHE A 18 -1.644 -3.542 -1.740 1.00 0.00 C ATOM 0 H PHE A 18 -2.380 -3.719 -6.834 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.157 -5.317 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.789 -5.695 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.991 -4.015 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.725 -2.320 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.261 -6.257 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.809 -1.616 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.343 -5.555 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.121 -3.233 -0.821 1.00 0.00 H new ATOM 233 N THR A 19 -1.760 -7.124 -6.921 1.00 0.00 N ATOM 234 CA THR A 19 -2.715 -8.200 -6.688 1.00 0.00 C ATOM 235 C THR A 19 -2.369 -8.985 -5.427 1.00 0.00 C ATOM 236 O THR A 19 -1.209 -9.323 -5.190 1.00 0.00 O ATOM 237 CB THR A 19 -2.753 -9.143 -7.891 1.00 0.00 C ATOM 238 OG1 THR A 19 -3.061 -8.431 -9.077 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.770 -10.255 -7.748 1.00 0.00 C ATOM 0 H THR A 19 -1.103 -7.301 -7.681 1.00 0.00 H new ATOM 0 HA THR A 19 -3.698 -7.749 -6.551 1.00 0.00 H new ATOM 0 HB THR A 19 -1.758 -9.586 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.079 -9.051 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.745 -10.887 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.533 -10.854 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.766 -9.825 -7.636 1.00 0.00 H new ATOM 247 N ILE A 20 -3.387 -9.275 -4.622 1.00 0.00 N ATOM 248 CA ILE A 20 -3.199 -10.025 -3.387 1.00 0.00 C ATOM 249 C ILE A 20 -3.623 -11.479 -3.563 1.00 0.00 C ATOM 250 O ILE A 20 -4.601 -11.771 -4.251 1.00 0.00 O ATOM 251 CB ILE A 20 -4.000 -9.404 -2.223 1.00 0.00 C ATOM 252 CG1 ILE A 20 -3.725 -7.902 -2.128 1.00 0.00 C ATOM 253 CG2 ILE A 20 -3.655 -10.097 -0.910 1.00 0.00 C ATOM 254 CD1 ILE A 20 -4.813 -7.134 -1.408 1.00 0.00 C ATOM 0 H ILE A 20 -4.352 -9.001 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.136 -9.983 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.063 -9.547 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.778 -7.746 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.610 -7.497 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.228 -9.647 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.899 -11.157 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.590 -9.983 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.552 -6.076 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.758 -7.260 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.913 -7.512 -0.391 1.00 0.00 H new ATOM 266 N THR A 21 -2.881 -12.388 -2.939 1.00 0.00 N ATOM 267 CA THR A 21 -3.181 -13.813 -3.030 1.00 0.00 C ATOM 268 C THR A 21 -3.746 -14.341 -1.713 1.00 0.00 C ATOM 269 O THR A 21 -3.669 -15.537 -1.432 1.00 0.00 O ATOM 270 CB THR A 21 -1.924 -14.596 -3.409 1.00 0.00 C ATOM 271 OG1 THR A 21 -0.966 -14.541 -2.366 1.00 0.00 O ATOM 272 CG2 THR A 21 -1.260 -14.087 -4.671 1.00 0.00 C ATOM 0 H THR A 21 -2.068 -12.164 -2.365 1.00 0.00 H new ATOM 0 HA THR A 21 -3.935 -13.949 -3.805 1.00 0.00 H new ATOM 0 HB THR A 21 -2.261 -15.618 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.984 -13.653 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.374 -14.686 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.958 -14.162 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.969 -13.045 -4.534 1.00 0.00 H new ATOM 280 N ASN A 22 -4.311 -13.445 -0.910 1.00 0.00 N ATOM 281 CA ASN A 22 -4.886 -13.827 0.376 1.00 0.00 C ATOM 282 C ASN A 22 -6.377 -13.502 0.428 1.00 0.00 C ATOM 283 O ASN A 22 -7.146 -14.186 1.104 1.00 0.00 O ATOM 284 CB ASN A 22 -4.153 -13.116 1.515 1.00 0.00 C ATOM 285 CG ASN A 22 -3.593 -14.088 2.537 1.00 0.00 C ATOM 286 OD1 ASN A 22 -3.128 -15.172 2.188 1.00 0.00 O ATOM 287 ND2 ASN A 22 -3.638 -13.702 3.807 1.00 0.00 N ATOM 0 H ASN A 22 -4.383 -12.451 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.767 -14.904 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.340 -12.518 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.837 -12.427 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.278 -14.314 4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.033 -12.794 4.050 1.00 0.00 H new ATOM 294 N LEU A 23 -6.779 -12.455 -0.284 1.00 0.00 N ATOM 295 CA LEU A 23 -8.178 -12.041 -0.316 1.00 0.00 C ATOM 296 C LEU A 23 -8.916 -12.696 -1.484 1.00 0.00 C ATOM 297 O LEU A 23 -8.728 -12.309 -2.637 1.00 0.00 O ATOM 298 CB LEU A 23 -8.275 -10.519 -0.429 1.00 0.00 C ATOM 299 CG LEU A 23 -9.560 -9.907 0.128 1.00 0.00 C ATOM 300 CD1 LEU A 23 -10.781 -10.570 -0.491 1.00 0.00 C ATOM 301 CD2 LEU A 23 -9.595 -10.032 1.645 1.00 0.00 C ATOM 0 H LEU A 23 -6.156 -11.877 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.648 -12.363 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.425 -10.077 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.185 -10.242 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.577 -8.848 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.686 -10.121 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.763 -10.429 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.771 -11.636 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.517 -9.591 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.554 -11.085 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.739 -9.510 2.073 1.00 0.00 H new ATOM 313 N PRO A 24 -9.768 -13.699 -1.204 1.00 0.00 N ATOM 314 CA PRO A 24 -10.530 -14.397 -2.245 1.00 0.00 C ATOM 315 C PRO A 24 -11.648 -13.535 -2.820 1.00 0.00 C ATOM 316 O PRO A 24 -12.604 -13.197 -2.124 1.00 0.00 O ATOM 317 CB PRO A 24 -11.110 -15.604 -1.507 1.00 0.00 C ATOM 318 CG PRO A 24 -11.219 -15.160 -0.090 1.00 0.00 C ATOM 319 CD PRO A 24 -10.060 -14.229 0.142 1.00 0.00 C ATOM 0 HA PRO A 24 -9.908 -14.661 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.083 -15.886 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.462 -16.475 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.168 -14.654 0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.178 -16.011 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.319 -13.432 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.202 -14.754 0.562 1.00 0.00 H new ATOM 327 N TYR A 25 -11.521 -13.183 -4.096 1.00 0.00 N ATOM 328 CA TYR A 25 -12.522 -12.361 -4.765 1.00 0.00 C ATOM 329 C TYR A 25 -13.873 -13.067 -4.800 1.00 0.00 C ATOM 330 O TYR A 25 -13.988 -14.182 -5.309 1.00 0.00 O ATOM 331 CB TYR A 25 -12.071 -12.028 -6.188 1.00 0.00 C ATOM 332 CG TYR A 25 -12.945 -11.004 -6.877 1.00 0.00 C ATOM 333 CD1 TYR A 25 -14.185 -11.357 -7.394 1.00 0.00 C ATOM 334 CD2 TYR A 25 -12.530 -9.685 -7.012 1.00 0.00 C ATOM 335 CE1 TYR A 25 -14.987 -10.425 -8.024 1.00 0.00 C ATOM 336 CE2 TYR A 25 -13.327 -8.747 -7.641 1.00 0.00 C ATOM 337 CZ TYR A 25 -14.554 -9.122 -8.145 1.00 0.00 C ATOM 338 OH TYR A 25 -15.350 -8.190 -8.771 1.00 0.00 O ATOM 0 H TYR A 25 -10.735 -13.454 -4.687 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.631 -11.436 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -11.046 -11.657 -6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.062 -12.943 -6.781 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -14.528 -12.377 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.569 -9.388 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.949 -10.716 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.990 -7.725 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.898 -7.321 -8.771 1.00 0.00 H new ATOM 348 N SER A 26 -14.893 -12.412 -4.254 1.00 0.00 N ATOM 349 CA SER A 26 -16.237 -12.977 -4.224 1.00 0.00 C ATOM 350 C SER A 26 -17.258 -11.978 -4.759 1.00 0.00 C ATOM 351 O SER A 26 -16.911 -10.855 -5.126 1.00 0.00 O ATOM 352 CB SER A 26 -16.607 -13.389 -2.798 1.00 0.00 C ATOM 353 OG SER A 26 -15.920 -12.598 -1.843 1.00 0.00 O ATOM 0 H SER A 26 -14.814 -11.489 -3.826 1.00 0.00 H new ATOM 0 HA SER A 26 -16.249 -13.859 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.683 -13.286 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.364 -14.441 -2.646 1.00 0.00 H new ATOM 0 HG SER A 26 -16.175 -12.880 -0.940 1.00 0.00 H new ATOM 359 N GLN A 27 -18.520 -12.396 -4.800 1.00 0.00 N ATOM 360 CA GLN A 27 -19.593 -11.538 -5.290 1.00 0.00 C ATOM 361 C GLN A 27 -19.696 -10.265 -4.456 1.00 0.00 C ATOM 362 O GLN A 27 -20.080 -9.210 -4.961 1.00 0.00 O ATOM 363 CB GLN A 27 -20.926 -12.288 -5.262 1.00 0.00 C ATOM 364 CG GLN A 27 -20.894 -13.615 -6.004 1.00 0.00 C ATOM 365 CD GLN A 27 -21.430 -13.502 -7.418 1.00 0.00 C ATOM 366 OE1 GLN A 27 -22.495 -14.033 -7.735 1.00 0.00 O ATOM 367 NE2 GLN A 27 -20.691 -12.810 -8.278 1.00 0.00 N ATOM 0 H GLN A 27 -18.824 -13.322 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 27 -19.361 -11.260 -6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.210 -12.468 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.698 -11.655 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -19.869 -13.985 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -21.482 -14.350 -5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.815 -12.387 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -21.000 -12.702 -9.244 1.00 0.00 H new ATOM 376 N ASP A 28 -19.352 -10.372 -3.177 1.00 0.00 N ATOM 377 CA ASP A 28 -19.406 -9.229 -2.272 1.00 0.00 C ATOM 378 C ASP A 28 -18.455 -8.127 -2.725 1.00 0.00 C ATOM 379 O ASP A 28 -18.833 -6.958 -2.801 1.00 0.00 O ATOM 380 CB ASP A 28 -19.059 -9.667 -0.847 1.00 0.00 C ATOM 381 CG ASP A 28 -20.181 -10.449 -0.193 1.00 0.00 C ATOM 382 OD1 ASP A 28 -20.698 -11.392 -0.830 1.00 0.00 O ATOM 383 OD2 ASP A 28 -20.544 -10.120 0.956 1.00 0.00 O ATOM 0 H ASP A 28 -19.033 -11.238 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.421 -8.832 -2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.157 -10.279 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.834 -8.787 -0.244 1.00 0.00 H new ATOM 388 N ILE A 29 -17.217 -8.507 -3.025 1.00 0.00 N ATOM 389 CA ILE A 29 -16.209 -7.551 -3.470 1.00 0.00 C ATOM 390 C ILE A 29 -16.516 -7.021 -4.869 1.00 0.00 C ATOM 391 O ILE A 29 -15.915 -6.045 -5.316 1.00 0.00 O ATOM 392 CB ILE A 29 -14.802 -8.181 -3.472 1.00 0.00 C ATOM 393 CG1 ILE A 29 -14.530 -8.884 -2.141 1.00 0.00 C ATOM 394 CG2 ILE A 29 -13.746 -7.119 -3.741 1.00 0.00 C ATOM 395 CD1 ILE A 29 -14.653 -7.974 -0.939 1.00 0.00 C ATOM 0 H ILE A 29 -16.888 -9.471 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.233 -6.722 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.755 -8.923 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.226 -9.715 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.527 -9.310 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.758 -7.580 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.931 -6.660 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.792 -6.355 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.447 -8.541 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.938 -7.156 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.664 -7.568 -0.892 1.00 0.00 H new ATOM 407 N ALA A 30 -17.451 -7.670 -5.560 1.00 0.00 N ATOM 408 CA ALA A 30 -17.827 -7.257 -6.907 1.00 0.00 C ATOM 409 C ALA A 30 -18.899 -6.170 -6.884 1.00 0.00 C ATOM 410 O ALA A 30 -19.111 -5.477 -7.878 1.00 0.00 O ATOM 411 CB ALA A 30 -18.311 -8.456 -7.709 1.00 0.00 C ATOM 0 H ALA A 30 -17.960 -8.481 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.941 -6.839 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.589 -8.134 -8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.514 -9.197 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.178 -8.897 -7.217 1.00 0.00 H new ATOM 417 N GLN A 31 -19.575 -6.023 -5.747 1.00 0.00 N ATOM 418 CA GLN A 31 -20.624 -5.018 -5.609 1.00 0.00 C ATOM 419 C GLN A 31 -20.373 -4.131 -4.390 1.00 0.00 C ATOM 420 O GLN A 31 -20.358 -4.614 -3.258 1.00 0.00 O ATOM 421 CB GLN A 31 -21.990 -5.696 -5.484 1.00 0.00 C ATOM 422 CG GLN A 31 -22.546 -6.192 -6.810 1.00 0.00 C ATOM 423 CD GLN A 31 -24.046 -6.002 -6.921 1.00 0.00 C ATOM 424 OE1 GLN A 31 -24.744 -5.879 -5.914 1.00 0.00 O ATOM 425 NE2 GLN A 31 -24.551 -5.980 -8.149 1.00 0.00 N ATOM 0 H GLN A 31 -19.415 -6.585 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 31 -20.613 -4.391 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.907 -6.538 -4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -22.697 -4.993 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -22.055 -5.662 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -22.308 -7.249 -6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -23.936 -6.086 -8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -25.554 -5.857 -8.286 1.00 0.00 H new ATOM 434 N PRO A 32 -20.170 -2.813 -4.599 1.00 0.00 N ATOM 435 CA PRO A 32 -19.922 -1.869 -3.505 1.00 0.00 C ATOM 436 C PRO A 32 -21.152 -1.677 -2.621 1.00 0.00 C ATOM 437 O PRO A 32 -21.698 -0.578 -2.522 1.00 0.00 O ATOM 438 CB PRO A 32 -19.563 -0.555 -4.215 1.00 0.00 C ATOM 439 CG PRO A 32 -19.333 -0.920 -5.644 1.00 0.00 C ATOM 440 CD PRO A 32 -20.165 -2.140 -5.904 1.00 0.00 C ATOM 0 HA PRO A 32 -19.137 -2.226 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.368 0.174 -4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.672 -0.104 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.622 -0.103 -6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.278 -1.122 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.172 -1.881 -6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.730 -2.768 -6.682 1.00 0.00 H new ATOM 448 N SER A 33 -21.579 -2.758 -1.983 1.00 0.00 N ATOM 449 CA SER A 33 -22.743 -2.723 -1.106 1.00 0.00 C ATOM 450 C SER A 33 -22.594 -3.724 0.036 1.00 0.00 C ATOM 451 O SER A 33 -22.940 -3.432 1.180 1.00 0.00 O ATOM 452 CB SER A 33 -24.015 -3.024 -1.901 1.00 0.00 C ATOM 453 OG SER A 33 -25.170 -2.602 -1.197 1.00 0.00 O ATOM 0 H SER A 33 -21.135 -3.674 -2.056 1.00 0.00 H new ATOM 0 HA SER A 33 -22.817 -1.722 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 33 -23.971 -2.521 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 33 -24.078 -4.094 -2.101 1.00 0.00 H new ATOM 0 HG SER A 33 -25.969 -2.805 -1.728 1.00 0.00 H new ATOM 459 N THR A 34 -22.076 -4.906 -0.284 1.00 0.00 N ATOM 460 CA THR A 34 -21.881 -5.952 0.713 1.00 0.00 C ATOM 461 C THR A 34 -20.922 -5.494 1.806 1.00 0.00 C ATOM 462 O THR A 34 -20.382 -4.389 1.750 1.00 0.00 O ATOM 463 CB THR A 34 -21.344 -7.221 0.049 1.00 0.00 C ATOM 464 OG1 THR A 34 -20.101 -6.970 -0.580 1.00 0.00 O ATOM 465 CG2 THR A 34 -22.279 -7.795 -0.993 1.00 0.00 C ATOM 0 H THR A 34 -21.784 -5.163 -1.227 1.00 0.00 H new ATOM 0 HA THR A 34 -22.847 -6.167 1.170 1.00 0.00 H new ATOM 0 HB THR A 34 -21.239 -7.946 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.244 -6.812 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.836 -8.693 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.232 -8.047 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 34 -22.443 -7.059 -1.780 1.00 0.00 H new ATOM 473 N THR A 35 -20.713 -6.352 2.799 1.00 0.00 N ATOM 474 CA THR A 35 -19.818 -6.039 3.907 1.00 0.00 C ATOM 475 C THR A 35 -18.369 -6.332 3.536 1.00 0.00 C ATOM 476 O THR A 35 -17.459 -5.590 3.906 1.00 0.00 O ATOM 477 CB THR A 35 -20.211 -6.840 5.149 1.00 0.00 C ATOM 478 OG1 THR A 35 -21.563 -6.600 5.494 1.00 0.00 O ATOM 479 CG2 THR A 35 -19.363 -6.519 6.361 1.00 0.00 C ATOM 0 H THR A 35 -21.152 -7.271 2.859 1.00 0.00 H new ATOM 0 HA THR A 35 -19.909 -4.975 4.125 1.00 0.00 H new ATOM 0 HB THR A 35 -20.052 -7.885 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.795 -7.123 6.290 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.694 -7.121 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.318 -6.742 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.465 -5.462 6.607 1.00 0.00 H new ATOM 487 N LYS A 36 -18.161 -7.422 2.803 1.00 0.00 N ATOM 488 CA LYS A 36 -16.822 -7.817 2.380 1.00 0.00 C ATOM 489 C LYS A 36 -16.160 -6.718 1.556 1.00 0.00 C ATOM 490 O LYS A 36 -14.962 -6.469 1.684 1.00 0.00 O ATOM 491 CB LYS A 36 -16.884 -9.111 1.566 1.00 0.00 C ATOM 492 CG LYS A 36 -15.635 -9.969 1.692 1.00 0.00 C ATOM 493 CD LYS A 36 -15.646 -10.782 2.976 1.00 0.00 C ATOM 494 CE LYS A 36 -14.250 -10.910 3.565 1.00 0.00 C ATOM 495 NZ LYS A 36 -13.446 -11.953 2.869 1.00 0.00 N ATOM 0 H LYS A 36 -18.903 -8.047 2.490 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.222 -7.984 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.748 -9.692 1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.040 -8.863 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.565 -10.640 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.751 -9.332 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.307 -10.309 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.051 -11.774 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.738 -9.950 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.324 -11.156 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.501 -12.009 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.921 -12.874 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.353 -11.706 1.863 1.00 0.00 H new ATOM 509 N TYR A 37 -16.949 -6.064 0.709 1.00 0.00 N ATOM 510 CA TYR A 37 -16.438 -4.993 -0.138 1.00 0.00 C ATOM 511 C TYR A 37 -15.857 -3.861 0.706 1.00 0.00 C ATOM 512 O TYR A 37 -14.745 -3.398 0.457 1.00 0.00 O ATOM 513 CB TYR A 37 -17.550 -4.455 -1.042 1.00 0.00 C ATOM 514 CG TYR A 37 -17.097 -3.346 -1.966 1.00 0.00 C ATOM 515 CD1 TYR A 37 -16.984 -2.039 -1.510 1.00 0.00 C ATOM 516 CD2 TYR A 37 -16.784 -3.608 -3.293 1.00 0.00 C ATOM 517 CE1 TYR A 37 -16.571 -1.024 -2.352 1.00 0.00 C ATOM 518 CE2 TYR A 37 -16.370 -2.598 -4.142 1.00 0.00 C ATOM 519 CZ TYR A 37 -16.265 -1.308 -3.666 1.00 0.00 C ATOM 520 OH TYR A 37 -15.854 -0.300 -4.507 1.00 0.00 O ATOM 0 H TYR A 37 -17.944 -6.257 0.591 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.642 -5.403 -0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.949 -5.274 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.366 -4.088 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.223 -1.812 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.865 -4.617 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.488 -0.013 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.130 -2.818 -5.172 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.677 -0.669 -5.398 1.00 0.00 H new ATOM 530 N GLN A 38 -16.617 -3.421 1.704 1.00 0.00 N ATOM 531 CA GLN A 38 -16.173 -2.344 2.583 1.00 0.00 C ATOM 532 C GLN A 38 -15.093 -2.836 3.540 1.00 0.00 C ATOM 533 O GLN A 38 -14.162 -2.102 3.871 1.00 0.00 O ATOM 534 CB GLN A 38 -17.355 -1.784 3.375 1.00 0.00 C ATOM 535 CG GLN A 38 -18.323 -0.972 2.528 1.00 0.00 C ATOM 536 CD GLN A 38 -19.673 -1.644 2.378 1.00 0.00 C ATOM 537 OE1 GLN A 38 -20.181 -2.261 3.314 1.00 0.00 O ATOM 538 NE2 GLN A 38 -20.262 -1.532 1.192 1.00 0.00 N ATOM 0 H GLN A 38 -17.541 -3.792 1.924 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.752 -1.552 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -17.895 -2.609 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -16.977 -1.157 4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.459 0.011 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -17.890 -0.812 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.806 -1.011 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.170 -1.967 1.031 1.00 0.00 H new ATOM 547 N GLN A 39 -15.222 -4.084 3.979 1.00 0.00 N ATOM 548 CA GLN A 39 -14.256 -4.675 4.898 1.00 0.00 C ATOM 549 C GLN A 39 -12.864 -4.707 4.275 1.00 0.00 C ATOM 550 O GLN A 39 -11.911 -4.162 4.831 1.00 0.00 O ATOM 551 CB GLN A 39 -14.692 -6.090 5.285 1.00 0.00 C ATOM 552 CG GLN A 39 -15.207 -6.200 6.711 1.00 0.00 C ATOM 553 CD GLN A 39 -14.692 -7.436 7.422 1.00 0.00 C ATOM 554 OE1 GLN A 39 -14.327 -7.384 8.597 1.00 0.00 O ATOM 555 NE2 GLN A 39 -14.657 -8.557 6.711 1.00 0.00 N ATOM 0 H GLN A 39 -15.986 -4.705 3.713 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.216 -4.058 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -15.472 -6.421 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.848 -6.768 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.910 -5.313 7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.297 -6.219 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.969 -8.555 5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.318 -9.420 7.136 1.00 0.00 H new ATOM 564 N THR A 40 -12.755 -5.351 3.117 1.00 0.00 N ATOM 565 CA THR A 40 -11.480 -5.457 2.419 1.00 0.00 C ATOM 566 C THR A 40 -10.960 -4.078 2.024 1.00 0.00 C ATOM 567 O THR A 40 -9.766 -3.798 2.134 1.00 0.00 O ATOM 568 CB THR A 40 -11.625 -6.334 1.175 1.00 0.00 C ATOM 569 OG1 THR A 40 -12.130 -7.612 1.518 1.00 0.00 O ATOM 570 CG2 THR A 40 -10.324 -6.539 0.430 1.00 0.00 C ATOM 0 H THR A 40 -13.535 -5.807 2.643 1.00 0.00 H new ATOM 0 HA THR A 40 -10.762 -5.917 3.097 1.00 0.00 H new ATOM 0 HB THR A 40 -12.316 -5.798 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.100 -7.557 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.499 -7.170 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.934 -5.574 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.600 -7.021 1.087 1.00 0.00 H new ATOM 578 N LYS A 41 -11.864 -3.219 1.564 1.00 0.00 N ATOM 579 CA LYS A 41 -11.497 -1.869 1.153 1.00 0.00 C ATOM 580 C LYS A 41 -10.855 -1.104 2.306 1.00 0.00 C ATOM 581 O LYS A 41 -9.921 -0.327 2.106 1.00 0.00 O ATOM 582 CB LYS A 41 -12.728 -1.114 0.648 1.00 0.00 C ATOM 583 CG LYS A 41 -12.393 0.162 -0.106 1.00 0.00 C ATOM 584 CD LYS A 41 -13.623 1.035 -0.296 1.00 0.00 C ATOM 585 CE LYS A 41 -13.372 2.138 -1.312 1.00 0.00 C ATOM 586 NZ LYS A 41 -14.637 2.795 -1.743 1.00 0.00 N ATOM 0 H LYS A 41 -12.856 -3.434 1.467 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.771 -1.948 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.304 -1.771 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.366 -0.868 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.631 0.719 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.970 -0.089 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.460 0.419 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.908 1.476 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.704 2.884 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.865 1.721 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.422 3.541 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.264 2.089 -2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.109 3.215 -0.917 1.00 0.00 H new ATOM 600 N ARG A 42 -11.361 -1.329 3.514 1.00 0.00 N ATOM 601 CA ARG A 42 -10.837 -0.662 4.700 1.00 0.00 C ATOM 602 C ARG A 42 -9.636 -1.417 5.262 1.00 0.00 C ATOM 603 O ARG A 42 -8.719 -0.816 5.822 1.00 0.00 O ATOM 604 CB ARG A 42 -11.929 -0.541 5.766 1.00 0.00 C ATOM 605 CG ARG A 42 -12.156 0.885 6.243 1.00 0.00 C ATOM 606 CD ARG A 42 -13.439 1.468 5.671 1.00 0.00 C ATOM 607 NE ARG A 42 -14.515 1.493 6.657 1.00 0.00 N ATOM 608 CZ ARG A 42 -15.805 1.609 6.344 1.00 0.00 C ATOM 609 NH1 ARG A 42 -16.180 1.710 5.077 1.00 0.00 N ATOM 610 NH2 ARG A 42 -16.720 1.623 7.304 1.00 0.00 N ATOM 0 H ARG A 42 -12.134 -1.969 3.697 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.510 0.337 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.863 -0.934 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.662 -1.163 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.201 0.902 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.310 1.507 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.250 2.481 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.751 0.880 4.808 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.265 1.417 7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.480 1.699 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.169 1.799 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.436 1.545 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.708 1.712 7.066 1.00 0.00 H new ATOM 624 N SER A 43 -9.647 -2.737 5.107 1.00 0.00 N ATOM 625 CA SER A 43 -8.560 -3.574 5.599 1.00 0.00 C ATOM 626 C SER A 43 -7.238 -3.188 4.942 1.00 0.00 C ATOM 627 O SER A 43 -6.220 -3.031 5.617 1.00 0.00 O ATOM 628 CB SER A 43 -8.862 -5.049 5.335 1.00 0.00 C ATOM 629 OG SER A 43 -8.395 -5.865 6.396 1.00 0.00 O ATOM 0 H SER A 43 -10.397 -3.250 4.644 1.00 0.00 H new ATOM 0 HA SER A 43 -8.472 -3.417 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.936 -5.187 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.392 -5.358 4.401 1.00 0.00 H new ATOM 0 HG SER A 43 -8.602 -6.803 6.203 1.00 0.00 H new ATOM 635 N ILE A 44 -7.263 -3.035 3.623 1.00 0.00 N ATOM 636 CA ILE A 44 -6.067 -2.666 2.875 1.00 0.00 C ATOM 637 C ILE A 44 -5.680 -1.216 3.144 1.00 0.00 C ATOM 638 O ILE A 44 -4.509 -0.906 3.366 1.00 0.00 O ATOM 639 CB ILE A 44 -6.268 -2.861 1.359 1.00 0.00 C ATOM 640 CG1 ILE A 44 -6.796 -4.267 1.070 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.964 -2.617 0.613 1.00 0.00 C ATOM 642 CD1 ILE A 44 -7.180 -4.482 -0.378 1.00 0.00 C ATOM 0 H ILE A 44 -8.097 -3.161 3.050 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.266 -3.323 3.213 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.004 -2.136 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.035 -4.996 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.665 -4.457 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.124 -2.759 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.625 -1.598 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.208 -3.320 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.546 -5.500 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.963 -3.776 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.308 -4.324 -1.013 1.00 0.00 H new ATOM 654 N GLU A 45 -6.670 -0.329 3.124 1.00 0.00 N ATOM 655 CA GLU A 45 -6.431 1.089 3.369 1.00 0.00 C ATOM 656 C GLU A 45 -5.816 1.303 4.748 1.00 0.00 C ATOM 657 O GLU A 45 -5.024 2.223 4.949 1.00 0.00 O ATOM 658 CB GLU A 45 -7.739 1.876 3.248 1.00 0.00 C ATOM 659 CG GLU A 45 -7.662 3.034 2.266 1.00 0.00 C ATOM 660 CD GLU A 45 -8.982 3.769 2.129 1.00 0.00 C ATOM 661 OE1 GLU A 45 -10.029 3.096 2.033 1.00 0.00 O ATOM 662 OE2 GLU A 45 -8.967 5.018 2.117 1.00 0.00 O ATOM 0 H GLU A 45 -7.645 -0.567 2.941 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.729 1.452 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.534 1.198 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.014 2.261 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.893 3.733 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.356 2.658 1.290 1.00 0.00 H new ATOM 669 N ASN A 46 -6.184 0.444 5.693 1.00 0.00 N ATOM 670 CA ASN A 46 -5.667 0.536 7.053 1.00 0.00 C ATOM 671 C ASN A 46 -4.236 0.015 7.124 1.00 0.00 C ATOM 672 O ASN A 46 -3.387 0.591 7.803 1.00 0.00 O ATOM 673 CB ASN A 46 -6.561 -0.254 8.013 1.00 0.00 C ATOM 674 CG ASN A 46 -6.108 -0.136 9.455 1.00 0.00 C ATOM 675 OD1 ASN A 46 -5.480 0.850 9.842 1.00 0.00 O ATOM 676 ND2 ASN A 46 -6.424 -1.145 10.259 1.00 0.00 N ATOM 0 H ASN A 46 -6.838 -0.324 5.542 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.667 1.585 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.587 0.104 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.564 -1.304 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.145 -1.122 11.240 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.946 -1.943 9.896 1.00 0.00 H new ATOM 683 N ALA A 47 -3.975 -1.079 6.416 1.00 0.00 N ATOM 684 CA ALA A 47 -2.646 -1.678 6.397 1.00 0.00 C ATOM 685 C ALA A 47 -1.653 -0.777 5.673 1.00 0.00 C ATOM 686 O ALA A 47 -0.500 -0.648 6.085 1.00 0.00 O ATOM 687 CB ALA A 47 -2.695 -3.049 5.737 1.00 0.00 C ATOM 0 H ALA A 47 -4.666 -1.569 5.848 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.310 -1.795 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.696 -3.485 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.370 -3.698 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.054 -2.947 4.713 1.00 0.00 H new ATOM 693 N LEU A 48 -2.108 -0.154 4.591 1.00 0.00 N ATOM 694 CA LEU A 48 -1.261 0.737 3.808 1.00 0.00 C ATOM 695 C LEU A 48 -0.994 2.035 4.564 1.00 0.00 C ATOM 696 O LEU A 48 0.069 2.640 4.423 1.00 0.00 O ATOM 697 CB LEU A 48 -1.915 1.044 2.459 1.00 0.00 C ATOM 698 CG LEU A 48 -2.122 -0.167 1.549 1.00 0.00 C ATOM 699 CD1 LEU A 48 -2.962 0.210 0.339 1.00 0.00 C ATOM 700 CD2 LEU A 48 -0.781 -0.738 1.113 1.00 0.00 C ATOM 0 H LEU A 48 -3.060 -0.250 4.236 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.309 0.234 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.882 1.513 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.300 1.774 1.932 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.657 -0.933 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.098 -0.665 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.935 0.573 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.456 0.993 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.945 -1.599 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.221 0.023 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.214 -1.047 1.991 1.00 0.00 H new ATOM 712 N ASN A 49 -1.965 2.457 5.367 1.00 0.00 N ATOM 713 CA ASN A 49 -1.835 3.681 6.147 1.00 0.00 C ATOM 714 C ASN A 49 -0.651 3.591 7.105 1.00 0.00 C ATOM 715 O ASN A 49 0.268 4.409 7.052 1.00 0.00 O ATOM 716 CB ASN A 49 -3.122 3.953 6.929 1.00 0.00 C ATOM 717 CG ASN A 49 -3.589 5.389 6.794 1.00 0.00 C ATOM 718 OD1 ASN A 49 -2.905 6.319 7.223 1.00 0.00 O ATOM 719 ND2 ASN A 49 -4.759 5.576 6.197 1.00 0.00 N ATOM 0 H ASN A 49 -2.851 1.968 5.494 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.659 4.506 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.907 3.284 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.959 3.725 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.126 6.520 6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.292 4.775 5.857 1.00 0.00 H new ATOM 726 N GLN A 50 -0.680 2.591 7.979 1.00 0.00 N ATOM 727 CA GLN A 50 0.392 2.392 8.949 1.00 0.00 C ATOM 728 C GLN A 50 1.722 2.152 8.243 1.00 0.00 C ATOM 729 O GLN A 50 2.782 2.520 8.753 1.00 0.00 O ATOM 730 CB GLN A 50 0.066 1.210 9.864 1.00 0.00 C ATOM 731 CG GLN A 50 -0.171 -0.092 9.117 1.00 0.00 C ATOM 732 CD GLN A 50 -0.960 -1.097 9.933 1.00 0.00 C ATOM 733 OE1 GLN A 50 -2.170 -1.239 9.760 1.00 0.00 O ATOM 734 NE2 GLN A 50 -0.276 -1.800 10.828 1.00 0.00 N ATOM 0 H GLN A 50 -1.433 1.906 8.036 1.00 0.00 H new ATOM 0 HA GLN A 50 0.478 3.296 9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.886 1.070 10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.821 1.449 10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.705 0.117 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.789 -0.528 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.727 -1.649 10.937 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.753 -2.491 11.406 1.00 0.00 H new ATOM 743 N LEU A 51 1.660 1.535 7.068 1.00 0.00 N ATOM 744 CA LEU A 51 2.861 1.246 6.292 1.00 0.00 C ATOM 745 C LEU A 51 3.593 2.533 5.926 1.00 0.00 C ATOM 746 O LEU A 51 4.822 2.569 5.882 1.00 0.00 O ATOM 747 CB LEU A 51 2.498 0.472 5.022 1.00 0.00 C ATOM 748 CG LEU A 51 3.641 -0.337 4.409 1.00 0.00 C ATOM 749 CD1 LEU A 51 3.102 -1.566 3.693 1.00 0.00 C ATOM 750 CD2 LEU A 51 4.450 0.527 3.452 1.00 0.00 C ATOM 0 H LEU A 51 0.791 1.225 6.632 1.00 0.00 H new ATOM 0 HA LEU A 51 3.523 0.634 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.675 -0.205 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.132 1.178 4.276 1.00 0.00 H new ATOM 0 HG LEU A 51 4.298 -0.669 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.930 -2.129 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.566 -2.195 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.423 -1.256 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.260 -0.064 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.803 0.888 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.867 1.376 3.993 1.00 0.00 H new ATOM 762 N PHE A 52 2.829 3.588 5.664 1.00 0.00 N ATOM 763 CA PHE A 52 3.405 4.878 5.303 1.00 0.00 C ATOM 764 C PHE A 52 4.045 5.547 6.516 1.00 0.00 C ATOM 765 O PHE A 52 5.084 6.198 6.402 1.00 0.00 O ATOM 766 CB PHE A 52 2.331 5.791 4.710 1.00 0.00 C ATOM 767 CG PHE A 52 1.497 5.128 3.652 1.00 0.00 C ATOM 768 CD1 PHE A 52 2.088 4.349 2.670 1.00 0.00 C ATOM 769 CD2 PHE A 52 0.119 5.283 3.638 1.00 0.00 C ATOM 770 CE1 PHE A 52 1.322 3.737 1.695 1.00 0.00 C ATOM 771 CE2 PHE A 52 -0.652 4.675 2.667 1.00 0.00 C ATOM 772 CZ PHE A 52 -0.049 3.901 1.694 1.00 0.00 C ATOM 0 H PHE A 52 1.810 3.575 5.695 1.00 0.00 H new ATOM 0 HA PHE A 52 4.179 4.706 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.678 6.138 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.810 6.673 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.160 4.218 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.357 5.887 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.795 3.132 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.724 4.804 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.650 3.425 0.933 1.00 0.00 H new ATOM 782 N ARG A 53 3.418 5.380 7.675 1.00 0.00 N ATOM 783 CA ARG A 53 3.926 5.966 8.910 1.00 0.00 C ATOM 784 C ARG A 53 5.183 5.241 9.380 1.00 0.00 C ATOM 785 O ARG A 53 6.045 5.831 10.031 1.00 0.00 O ATOM 786 CB ARG A 53 2.856 5.915 10.002 1.00 0.00 C ATOM 787 CG ARG A 53 1.675 6.835 9.740 1.00 0.00 C ATOM 788 CD ARG A 53 1.852 8.182 10.425 1.00 0.00 C ATOM 789 NE ARG A 53 0.728 8.501 11.304 1.00 0.00 N ATOM 790 CZ ARG A 53 0.584 8.009 12.532 1.00 0.00 C ATOM 791 NH1 ARG A 53 1.487 7.175 13.032 1.00 0.00 N ATOM 792 NH2 ARG A 53 -0.468 8.353 13.263 1.00 0.00 N ATOM 0 H ARG A 53 2.557 4.844 7.785 1.00 0.00 H new ATOM 0 HA ARG A 53 4.182 7.007 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.494 4.891 10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.310 6.183 10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.561 6.984 8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.759 6.363 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.775 8.176 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.955 8.962 9.670 1.00 0.00 H new ATOM 0 HE ARG A 53 0.012 9.138 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.298 6.907 12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.370 6.802 13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.165 8.994 12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.580 7.977 14.204 1.00 0.00 H new ATOM 806 N ASN A 54 5.281 3.957 9.047 1.00 0.00 N ATOM 807 CA ASN A 54 6.434 3.153 9.435 1.00 0.00 C ATOM 808 C ASN A 54 7.504 3.165 8.348 1.00 0.00 C ATOM 809 O ASN A 54 8.686 2.962 8.625 1.00 0.00 O ATOM 810 CB ASN A 54 6.002 1.714 9.726 1.00 0.00 C ATOM 811 CG ASN A 54 5.256 1.589 11.039 1.00 0.00 C ATOM 812 OD1 ASN A 54 5.781 1.929 12.100 1.00 0.00 O ATOM 813 ND2 ASN A 54 4.024 1.098 10.976 1.00 0.00 N ATOM 0 H ASN A 54 4.576 3.452 8.510 1.00 0.00 H new ATOM 0 HA ASN A 54 6.860 3.590 10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.367 1.357 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.882 1.071 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.474 0.990 11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.628 0.829 10.076 1.00 0.00 H new ATOM 820 N SER A 55 7.083 3.400 7.108 1.00 0.00 N ATOM 821 CA SER A 55 8.007 3.435 5.979 1.00 0.00 C ATOM 822 C SER A 55 9.118 4.455 6.209 1.00 0.00 C ATOM 823 O SER A 55 9.066 5.244 7.152 1.00 0.00 O ATOM 824 CB SER A 55 7.255 3.767 4.689 1.00 0.00 C ATOM 825 OG SER A 55 6.576 5.006 4.798 1.00 0.00 O ATOM 0 H SER A 55 6.108 3.569 6.860 1.00 0.00 H new ATOM 0 HA SER A 55 8.461 2.448 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.956 3.805 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.540 2.975 4.468 1.00 0.00 H new ATOM 0 HG SER A 55 6.415 5.209 5.743 1.00 0.00 H new ATOM 831 N SER A 56 10.124 4.431 5.340 1.00 0.00 N ATOM 832 CA SER A 56 11.248 5.352 5.445 1.00 0.00 C ATOM 833 C SER A 56 10.848 6.755 4.995 1.00 0.00 C ATOM 834 O SER A 56 11.393 7.749 5.472 1.00 0.00 O ATOM 835 CB SER A 56 12.425 4.852 4.605 1.00 0.00 C ATOM 836 OG SER A 56 13.142 3.837 5.286 1.00 0.00 O ATOM 0 H SER A 56 10.183 3.783 4.555 1.00 0.00 H new ATOM 0 HA SER A 56 11.550 5.398 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.059 4.467 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.093 5.683 4.377 1.00 0.00 H new ATOM 0 HG SER A 56 13.888 3.533 4.728 1.00 0.00 H new ATOM 842 N ILE A 57 9.894 6.825 4.073 1.00 0.00 N ATOM 843 CA ILE A 57 9.419 8.104 3.559 1.00 0.00 C ATOM 844 C ILE A 57 8.195 8.584 4.332 1.00 0.00 C ATOM 845 O ILE A 57 7.205 9.021 3.743 1.00 0.00 O ATOM 846 CB ILE A 57 9.069 8.011 2.062 1.00 0.00 C ATOM 847 CG1 ILE A 57 8.125 6.834 1.810 1.00 0.00 C ATOM 848 CG2 ILE A 57 10.334 7.870 1.229 1.00 0.00 C ATOM 849 CD1 ILE A 57 7.457 6.874 0.454 1.00 0.00 C ATOM 0 H ILE A 57 9.434 6.010 3.666 1.00 0.00 H new ATOM 0 HA ILE A 57 10.230 8.821 3.689 1.00 0.00 H new ATOM 0 HB ILE A 57 8.563 8.929 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.685 5.903 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.357 6.822 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.069 7.805 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 57 10.974 8.737 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.866 6.966 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.803 6.009 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.869 7.787 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.217 6.854 -0.327 1.00 0.00 H new ATOM 861 N LYS A 58 8.268 8.501 5.657 1.00 0.00 N ATOM 862 CA LYS A 58 7.167 8.925 6.514 1.00 0.00 C ATOM 863 C LYS A 58 7.297 10.403 6.875 1.00 0.00 C ATOM 864 O LYS A 58 7.236 10.775 8.047 1.00 0.00 O ATOM 865 CB LYS A 58 7.125 8.076 7.786 1.00 0.00 C ATOM 866 CG LYS A 58 8.356 8.232 8.666 1.00 0.00 C ATOM 867 CD LYS A 58 8.439 7.131 9.709 1.00 0.00 C ATOM 868 CE LYS A 58 9.797 7.109 10.390 1.00 0.00 C ATOM 869 NZ LYS A 58 10.806 6.354 9.595 1.00 0.00 N ATOM 0 H LYS A 58 9.080 8.143 6.161 1.00 0.00 H new ATOM 0 HA LYS A 58 6.236 8.785 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.240 8.345 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.018 7.027 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.252 8.215 8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.330 9.203 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.659 7.277 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.252 6.167 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.144 8.131 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.701 6.657 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.202 5.587 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.352 5.951 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.570 6.997 9.303 1.00 0.00 H new ATOM 883 N SER A 59 7.476 11.241 5.860 1.00 0.00 N ATOM 884 CA SER A 59 7.616 12.677 6.071 1.00 0.00 C ATOM 885 C SER A 59 6.761 13.461 5.081 1.00 0.00 C ATOM 886 O SER A 59 6.069 14.406 5.456 1.00 0.00 O ATOM 887 CB SER A 59 9.082 13.093 5.938 1.00 0.00 C ATOM 888 OG SER A 59 9.784 12.220 5.070 1.00 0.00 O ATOM 0 H SER A 59 7.528 10.951 4.883 1.00 0.00 H new ATOM 0 HA SER A 59 7.271 12.905 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.141 14.113 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.554 13.091 6.920 1.00 0.00 H new ATOM 0 HG SER A 59 10.718 12.509 5.001 1.00 0.00 H new ATOM 894 N TYR A 60 6.817 13.064 3.813 1.00 0.00 N ATOM 895 CA TYR A 60 6.049 13.734 2.769 1.00 0.00 C ATOM 896 C TYR A 60 4.934 12.835 2.242 1.00 0.00 C ATOM 897 O TYR A 60 4.471 13.007 1.114 1.00 0.00 O ATOM 898 CB TYR A 60 6.968 14.148 1.619 1.00 0.00 C ATOM 899 CG TYR A 60 7.926 15.261 1.977 1.00 0.00 C ATOM 900 CD1 TYR A 60 7.460 16.472 2.477 1.00 0.00 C ATOM 901 CD2 TYR A 60 9.297 15.103 1.815 1.00 0.00 C ATOM 902 CE1 TYR A 60 8.333 17.492 2.804 1.00 0.00 C ATOM 903 CE2 TYR A 60 10.176 16.118 2.141 1.00 0.00 C ATOM 904 CZ TYR A 60 9.689 17.310 2.635 1.00 0.00 C ATOM 905 OH TYR A 60 10.562 18.322 2.960 1.00 0.00 O ATOM 0 H TYR A 60 7.385 12.283 3.484 1.00 0.00 H new ATOM 0 HA TYR A 60 5.595 14.624 3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.540 13.280 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.357 14.464 0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.398 16.618 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.682 14.171 1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.955 18.427 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.239 15.979 2.010 1.00 0.00 H new ATOM 0 HH TYR A 60 11.481 18.031 2.782 1.00 0.00 H new ATOM 915 N PHE A 61 4.504 11.880 3.059 1.00 0.00 N ATOM 916 CA PHE A 61 3.441 10.962 2.664 1.00 0.00 C ATOM 917 C PHE A 61 2.136 11.304 3.374 1.00 0.00 C ATOM 918 O PHE A 61 2.081 11.360 4.602 1.00 0.00 O ATOM 919 CB PHE A 61 3.841 9.518 2.974 1.00 0.00 C ATOM 920 CG PHE A 61 3.045 8.501 2.207 1.00 0.00 C ATOM 921 CD1 PHE A 61 1.681 8.371 2.413 1.00 0.00 C ATOM 922 CD2 PHE A 61 3.661 7.674 1.280 1.00 0.00 C ATOM 923 CE1 PHE A 61 0.945 7.437 1.709 1.00 0.00 C ATOM 924 CE2 PHE A 61 2.930 6.738 0.573 1.00 0.00 C ATOM 925 CZ PHE A 61 1.571 6.619 0.788 1.00 0.00 C ATOM 0 H PHE A 61 4.874 11.721 3.996 1.00 0.00 H new ATOM 0 HA PHE A 61 3.288 11.065 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.899 9.386 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.717 9.336 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.187 9.007 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.724 7.762 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.118 7.347 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.421 6.100 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.998 5.888 0.237 1.00 0.00 H new ATOM 935 N SER A 62 1.087 11.534 2.591 1.00 0.00 N ATOM 936 CA SER A 62 -0.220 11.871 3.144 1.00 0.00 C ATOM 937 C SER A 62 -1.010 10.611 3.478 1.00 0.00 C ATOM 938 O SER A 62 -1.164 10.254 4.647 1.00 0.00 O ATOM 939 CB SER A 62 -1.007 12.733 2.156 1.00 0.00 C ATOM 940 OG SER A 62 -0.645 14.100 2.270 1.00 0.00 O ATOM 0 H SER A 62 1.116 11.493 1.572 1.00 0.00 H new ATOM 0 HA SER A 62 -0.064 12.435 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.821 12.388 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.075 12.620 2.341 1.00 0.00 H new ATOM 0 HG SER A 62 -1.161 14.630 1.627 1.00 0.00 H new ATOM 946 N ASP A 63 -1.511 9.941 2.446 1.00 0.00 N ATOM 947 CA ASP A 63 -2.286 8.719 2.631 1.00 0.00 C ATOM 948 C ASP A 63 -2.526 8.017 1.299 1.00 0.00 C ATOM 949 O ASP A 63 -2.029 8.447 0.258 1.00 0.00 O ATOM 950 CB ASP A 63 -3.623 9.038 3.303 1.00 0.00 C ATOM 951 CG ASP A 63 -3.563 8.892 4.811 1.00 0.00 C ATOM 952 OD1 ASP A 63 -3.599 7.743 5.299 1.00 0.00 O ATOM 953 OD2 ASP A 63 -3.480 9.927 5.504 1.00 0.00 O ATOM 0 H ASP A 63 -1.394 10.223 1.473 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.714 8.049 3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.919 10.056 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.392 8.375 2.907 1.00 0.00 H new ATOM 958 N CYS A 64 -3.294 6.932 1.340 1.00 0.00 N ATOM 959 CA CYS A 64 -3.602 6.168 0.138 1.00 0.00 C ATOM 960 C CYS A 64 -5.020 6.461 -0.342 1.00 0.00 C ATOM 961 O CYS A 64 -5.735 7.264 0.254 1.00 0.00 O ATOM 962 CB CYS A 64 -3.439 4.671 0.403 1.00 0.00 C ATOM 963 SG CYS A 64 -4.358 4.072 1.841 1.00 0.00 S ATOM 0 H CYS A 64 -3.714 6.563 2.193 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.903 6.468 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -3.765 4.119 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.381 4.451 0.544 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.555 3.971 2.858 1.00 0.00 H new ATOM 969 N GLN A 65 -5.420 5.802 -1.426 1.00 0.00 N ATOM 970 CA GLN A 65 -6.753 5.991 -1.986 1.00 0.00 C ATOM 971 C GLN A 65 -7.189 4.762 -2.776 1.00 0.00 C ATOM 972 O GLN A 65 -6.977 4.682 -3.987 1.00 0.00 O ATOM 973 CB GLN A 65 -6.780 7.227 -2.886 1.00 0.00 C ATOM 974 CG GLN A 65 -8.133 7.919 -2.928 1.00 0.00 C ATOM 975 CD GLN A 65 -8.034 9.411 -2.682 1.00 0.00 C ATOM 976 OE1 GLN A 65 -8.468 9.911 -1.645 1.00 0.00 O ATOM 977 NE2 GLN A 65 -7.460 10.132 -3.638 1.00 0.00 N ATOM 0 H GLN A 65 -4.840 5.133 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.450 6.136 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.029 7.936 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.499 6.936 -3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.596 7.745 -3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.788 7.474 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.114 9.676 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.365 11.142 -3.528 1.00 0.00 H new ATOM 986 N VAL A 66 -7.802 3.806 -2.085 1.00 0.00 N ATOM 987 CA VAL A 66 -8.270 2.582 -2.723 1.00 0.00 C ATOM 988 C VAL A 66 -9.372 2.880 -3.736 1.00 0.00 C ATOM 989 O VAL A 66 -10.514 3.150 -3.366 1.00 0.00 O ATOM 990 CB VAL A 66 -8.791 1.569 -1.683 1.00 0.00 C ATOM 991 CG1 VAL A 66 -9.947 2.160 -0.891 1.00 0.00 C ATOM 992 CG2 VAL A 66 -9.205 0.270 -2.358 1.00 0.00 C ATOM 0 H VAL A 66 -7.986 3.856 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.416 2.145 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.982 1.346 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.300 1.430 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.611 3.057 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.760 2.417 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.569 -0.430 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.996 0.471 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.347 -0.163 -2.872 1.00 0.00 H new ATOM 1002 N LEU A 67 -9.019 2.831 -5.017 1.00 0.00 N ATOM 1003 CA LEU A 67 -9.976 3.096 -6.085 1.00 0.00 C ATOM 1004 C LEU A 67 -11.042 2.007 -6.143 1.00 0.00 C ATOM 1005 O LEU A 67 -12.224 2.271 -5.922 1.00 0.00 O ATOM 1006 CB LEU A 67 -9.255 3.192 -7.432 1.00 0.00 C ATOM 1007 CG LEU A 67 -8.039 4.118 -7.451 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.438 4.181 -8.847 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.423 5.510 -6.972 1.00 0.00 C ATOM 0 H LEU A 67 -8.077 2.610 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.465 4.047 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.936 2.193 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.966 3.535 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.288 3.715 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.573 4.845 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.127 3.183 -9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.182 4.561 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.546 6.156 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.191 5.921 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.807 5.451 -5.954 1.00 0.00 H new ATOM 1021 N ALA A 68 -10.618 0.784 -6.443 1.00 0.00 N ATOM 1022 CA ALA A 68 -11.539 -0.343 -6.530 1.00 0.00 C ATOM 1023 C ALA A 68 -10.786 -1.669 -6.552 1.00 0.00 C ATOM 1024 O ALA A 68 -9.570 -1.709 -6.365 1.00 0.00 O ATOM 1025 CB ALA A 68 -12.416 -0.213 -7.766 1.00 0.00 C ATOM 0 H ALA A 68 -9.643 0.548 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.173 -0.330 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.099 -1.061 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.990 0.712 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.789 -0.197 -8.657 1.00 0.00 H new ATOM 1031 N PHE A 69 -11.518 -2.755 -6.782 1.00 0.00 N ATOM 1032 CA PHE A 69 -10.920 -4.086 -6.830 1.00 0.00 C ATOM 1033 C PHE A 69 -11.072 -4.702 -8.217 1.00 0.00 C ATOM 1034 O PHE A 69 -12.164 -4.709 -8.787 1.00 0.00 O ATOM 1035 CB PHE A 69 -11.569 -4.995 -5.784 1.00 0.00 C ATOM 1036 CG PHE A 69 -11.182 -4.660 -4.371 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -10.045 -5.209 -3.801 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -11.957 -3.796 -3.614 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -9.688 -4.903 -2.502 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -11.606 -3.486 -2.314 1.00 0.00 C ATOM 1041 CZ PHE A 69 -10.470 -4.040 -1.757 1.00 0.00 C ATOM 0 H PHE A 69 -12.526 -2.740 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.857 -3.988 -6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.653 -4.929 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.293 -6.029 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.431 -5.884 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.846 -3.360 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.799 -5.337 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.219 -2.812 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.193 -3.799 -0.741 1.00 0.00 H new ATOM 1051 N ARG A 70 -9.972 -5.216 -8.755 1.00 0.00 N ATOM 1052 CA ARG A 70 -9.984 -5.834 -10.075 1.00 0.00 C ATOM 1053 C ARG A 70 -9.832 -7.349 -9.968 1.00 0.00 C ATOM 1054 O ARG A 70 -8.828 -7.847 -9.458 1.00 0.00 O ATOM 1055 CB ARG A 70 -8.860 -5.258 -10.938 1.00 0.00 C ATOM 1056 CG ARG A 70 -9.208 -5.181 -12.416 1.00 0.00 C ATOM 1057 CD ARG A 70 -9.439 -3.746 -12.863 1.00 0.00 C ATOM 1058 NE ARG A 70 -10.386 -3.664 -13.973 1.00 0.00 N ATOM 1059 CZ ARG A 70 -10.068 -3.925 -15.239 1.00 0.00 C ATOM 1060 NH1 ARG A 70 -8.831 -4.285 -15.560 1.00 0.00 N ATOM 1061 NH2 ARG A 70 -10.991 -3.826 -16.186 1.00 0.00 N ATOM 0 H ARG A 70 -9.061 -5.217 -8.297 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.944 -5.615 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.613 -4.259 -10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.967 -5.871 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.402 -5.620 -13.003 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.103 -5.772 -12.611 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.813 -3.161 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.490 -3.302 -13.163 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.347 -3.391 -13.766 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.118 -4.363 -14.835 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.594 -4.484 -16.532 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.943 -3.550 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.749 -4.026 -17.157 1.00 0.00 H new ATOM 1075 N SER A 71 -10.834 -8.075 -10.451 1.00 0.00 N ATOM 1076 CA SER A 71 -10.812 -9.532 -10.410 1.00 0.00 C ATOM 1077 C SER A 71 -9.836 -10.092 -11.440 1.00 0.00 C ATOM 1078 O SER A 71 -9.897 -9.745 -12.620 1.00 0.00 O ATOM 1079 CB SER A 71 -12.214 -10.092 -10.663 1.00 0.00 C ATOM 1080 OG SER A 71 -12.198 -11.508 -10.705 1.00 0.00 O ATOM 0 H SER A 71 -11.672 -7.678 -10.876 1.00 0.00 H new ATOM 0 HA SER A 71 -10.479 -9.837 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.890 -9.756 -9.877 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.600 -9.702 -11.604 1.00 0.00 H new ATOM 0 HG SER A 71 -13.106 -11.841 -10.866 1.00 0.00 H new ATOM 1154 N ASN A 77 -8.850 -16.579 -7.553 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.683 -16.498 -6.107 1.00 0.00 C ATOM 1156 C ASN A 77 -8.051 -15.167 -5.710 1.00 0.00 C ATOM 1157 O ASN A 77 -8.508 -14.505 -4.779 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.819 -17.657 -5.606 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.979 -17.896 -4.117 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -7.055 -17.664 -3.337 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.155 -18.363 -3.717 1.00 0.00 N ATOM 0 HA ASN A 77 -9.668 -16.565 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.084 -18.565 -6.148 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.772 -17.448 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.322 -18.544 -2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.892 -18.541 -4.399 1.00 0.00 H new ATOM 1168 N HIS A 78 -6.997 -14.784 -6.423 1.00 0.00 N ATOM 1169 CA HIS A 78 -6.303 -13.531 -6.147 1.00 0.00 C ATOM 1170 C HIS A 78 -7.221 -12.338 -6.392 1.00 0.00 C ATOM 1171 O HIS A 78 -8.330 -12.490 -6.904 1.00 0.00 O ATOM 1172 CB HIS A 78 -5.051 -13.415 -7.019 1.00 0.00 C ATOM 1173 CG HIS A 78 -4.131 -14.590 -6.903 1.00 0.00 C ATOM 1174 ND1 HIS A 78 -3.233 -14.942 -7.889 1.00 0.00 N ATOM 1175 CD2 HIS A 78 -3.972 -15.496 -5.910 1.00 0.00 C ATOM 1176 CE1 HIS A 78 -2.562 -16.014 -7.507 1.00 0.00 C ATOM 1177 NE2 HIS A 78 -2.991 -16.369 -6.310 1.00 0.00 N ATOM 0 H HIS A 78 -6.605 -15.322 -7.195 1.00 0.00 H new ATOM 0 HA HIS A 78 -6.007 -13.530 -5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -5.353 -13.301 -8.060 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -4.509 -12.511 -6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.515 -15.526 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.793 -16.515 -8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.649 -17.164 -5.770 1.00 0.00 H new ATOM 1186 N THR A 79 -6.753 -11.150 -6.021 1.00 0.00 N ATOM 1187 CA THR A 79 -7.535 -9.933 -6.201 1.00 0.00 C ATOM 1188 C THR A 79 -6.630 -8.745 -6.512 1.00 0.00 C ATOM 1189 O THR A 79 -5.664 -8.483 -5.796 1.00 0.00 O ATOM 1190 CB THR A 79 -8.361 -9.644 -4.947 1.00 0.00 C ATOM 1191 OG1 THR A 79 -9.200 -10.742 -4.635 1.00 0.00 O ATOM 1192 CG2 THR A 79 -9.240 -8.418 -5.078 1.00 0.00 C ATOM 0 H THR A 79 -5.838 -11.005 -5.595 1.00 0.00 H new ATOM 0 HA THR A 79 -8.208 -10.085 -7.045 1.00 0.00 H new ATOM 0 HB THR A 79 -7.632 -9.466 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.840 -11.218 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.799 -8.270 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.618 -7.543 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.937 -8.556 -5.905 1.00 0.00 H new ATOM 1200 N GLY A 80 -6.951 -8.028 -7.585 1.00 0.00 N ATOM 1201 CA GLY A 80 -6.157 -6.876 -7.971 1.00 0.00 C ATOM 1202 C GLY A 80 -6.577 -5.614 -7.244 1.00 0.00 C ATOM 1203 O GLY A 80 -7.722 -5.177 -7.356 1.00 0.00 O ATOM 0 H GLY A 80 -7.746 -8.224 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.106 -7.078 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.247 -6.720 -9.046 1.00 0.00 H new ATOM 1207 N VAL A 81 -5.648 -5.028 -6.496 1.00 0.00 N ATOM 1208 CA VAL A 81 -5.929 -3.808 -5.746 1.00 0.00 C ATOM 1209 C VAL A 81 -5.522 -2.569 -6.537 1.00 0.00 C ATOM 1210 O VAL A 81 -4.383 -2.453 -6.986 1.00 0.00 O ATOM 1211 CB VAL A 81 -5.200 -3.802 -4.388 1.00 0.00 C ATOM 1212 CG1 VAL A 81 -5.560 -2.557 -3.588 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -5.523 -5.065 -3.601 1.00 0.00 C ATOM 0 H VAL A 81 -4.695 -5.377 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.005 -3.785 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.126 -3.784 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.034 -2.573 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.269 -1.668 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.635 -2.537 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.999 -5.042 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.597 -5.119 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.204 -5.939 -4.169 1.00 0.00 H new ATOM 1223 N ASP A 82 -6.462 -1.642 -6.695 1.00 0.00 N ATOM 1224 CA ASP A 82 -6.203 -0.406 -7.422 1.00 0.00 C ATOM 1225 C ASP A 82 -6.269 0.791 -6.480 1.00 0.00 C ATOM 1226 O ASP A 82 -7.304 1.445 -6.364 1.00 0.00 O ATOM 1227 CB ASP A 82 -7.215 -0.235 -8.558 1.00 0.00 C ATOM 1228 CG ASP A 82 -6.686 -0.745 -9.884 1.00 0.00 C ATOM 1229 OD1 ASP A 82 -6.356 -1.946 -9.969 1.00 0.00 O ATOM 1230 OD2 ASP A 82 -6.600 0.057 -10.838 1.00 0.00 O ATOM 0 H ASP A 82 -7.410 -1.724 -6.329 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.201 -0.461 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.132 -0.767 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.474 0.819 -8.654 1.00 0.00 H new ATOM 1235 N SER A 83 -5.159 1.064 -5.802 1.00 0.00 N ATOM 1236 CA SER A 83 -5.092 2.175 -4.861 1.00 0.00 C ATOM 1237 C SER A 83 -4.272 3.330 -5.430 1.00 0.00 C ATOM 1238 O SER A 83 -3.803 3.272 -6.567 1.00 0.00 O ATOM 1239 CB SER A 83 -4.487 1.706 -3.537 1.00 0.00 C ATOM 1240 OG SER A 83 -3.282 0.991 -3.751 1.00 0.00 O ATOM 0 H SER A 83 -4.294 0.531 -5.887 1.00 0.00 H new ATOM 0 HA SER A 83 -6.107 2.532 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.294 2.567 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.201 1.072 -3.012 1.00 0.00 H new ATOM 0 HG SER A 83 -3.021 1.065 -4.693 1.00 0.00 H new ATOM 1246 N LEU A 84 -4.107 4.380 -4.630 1.00 0.00 N ATOM 1247 CA LEU A 84 -3.348 5.554 -5.050 1.00 0.00 C ATOM 1248 C LEU A 84 -2.414 6.023 -3.939 1.00 0.00 C ATOM 1249 O LEU A 84 -2.860 6.384 -2.852 1.00 0.00 O ATOM 1250 CB LEU A 84 -4.303 6.687 -5.439 1.00 0.00 C ATOM 1251 CG LEU A 84 -3.706 7.763 -6.350 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -2.514 8.430 -5.683 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -3.306 7.166 -7.692 1.00 0.00 C ATOM 0 H LEU A 84 -4.489 4.442 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.745 5.278 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.171 6.254 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.664 7.165 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.467 8.523 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.104 9.191 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.832 8.895 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.749 7.682 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.884 7.946 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.563 6.384 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.184 6.740 -8.177 1.00 0.00 H new ATOM 1265 N CYS A 85 -1.114 6.018 -4.220 1.00 0.00 N ATOM 1266 CA CYS A 85 -0.121 6.448 -3.241 1.00 0.00 C ATOM 1267 C CYS A 85 0.053 7.963 -3.281 1.00 0.00 C ATOM 1268 O CYS A 85 1.006 8.474 -3.869 1.00 0.00 O ATOM 1269 CB CYS A 85 1.219 5.756 -3.500 1.00 0.00 C ATOM 1270 SG CYS A 85 1.422 4.200 -2.604 1.00 0.00 S ATOM 0 H CYS A 85 -0.725 5.722 -5.115 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.475 6.166 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.318 5.565 -4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.027 6.433 -3.221 1.00 0.00 H new ATOM 0 HG CYS A 85 2.154 4.399 -1.548 1.00 0.00 H new ATOM 1276 N ASN A 86 -0.879 8.677 -2.655 1.00 0.00 N ATOM 1277 CA ASN A 86 -0.833 10.134 -2.621 1.00 0.00 C ATOM 1278 C ASN A 86 0.279 10.626 -1.702 1.00 0.00 C ATOM 1279 O ASN A 86 0.701 9.920 -0.786 1.00 0.00 O ATOM 1280 CB ASN A 86 -2.178 10.697 -2.161 1.00 0.00 C ATOM 1281 CG ASN A 86 -3.234 10.629 -3.245 1.00 0.00 C ATOM 1282 OD1 ASN A 86 -3.162 11.343 -4.245 1.00 0.00 O ATOM 1283 ND2 ASN A 86 -4.225 9.766 -3.053 1.00 0.00 N ATOM 0 H ASN A 86 -1.675 8.269 -2.165 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.625 10.487 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.521 10.142 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.047 11.733 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.965 9.676 -3.749 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.246 9.193 -2.209 1.00 0.00 H new ATOM 1290 N PHE A 87 0.749 11.844 -1.953 1.00 0.00 N ATOM 1291 CA PHE A 87 1.813 12.432 -1.150 1.00 0.00 C ATOM 1292 C PHE A 87 1.504 13.890 -0.818 1.00 0.00 C ATOM 1293 O PHE A 87 0.584 14.483 -1.379 1.00 0.00 O ATOM 1294 CB PHE A 87 3.149 12.336 -1.887 1.00 0.00 C ATOM 1295 CG PHE A 87 3.858 11.030 -1.671 1.00 0.00 C ATOM 1296 CD1 PHE A 87 3.339 9.852 -2.182 1.00 0.00 C ATOM 1297 CD2 PHE A 87 5.042 10.982 -0.954 1.00 0.00 C ATOM 1298 CE1 PHE A 87 3.988 8.648 -1.982 1.00 0.00 C ATOM 1299 CE2 PHE A 87 5.696 9.782 -0.751 1.00 0.00 C ATOM 1300 CZ PHE A 87 5.169 8.614 -1.265 1.00 0.00 C ATOM 0 H PHE A 87 0.409 12.442 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 87 1.880 11.873 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.977 12.475 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.795 13.150 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.417 9.874 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.459 11.892 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.573 7.736 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.619 9.758 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.679 7.675 -1.107 1.00 0.00 H new ATOM 1310 N SER A 88 2.280 14.458 0.100 1.00 0.00 N ATOM 1311 CA SER A 88 2.090 15.846 0.508 1.00 0.00 C ATOM 1312 C SER A 88 2.399 16.803 -0.641 1.00 0.00 C ATOM 1313 O SER A 88 3.163 16.471 -1.547 1.00 0.00 O ATOM 1314 CB SER A 88 2.979 16.170 1.711 1.00 0.00 C ATOM 1315 OG SER A 88 2.290 15.949 2.930 1.00 0.00 O ATOM 0 H SER A 88 3.045 13.979 0.575 1.00 0.00 H new ATOM 0 HA SER A 88 1.045 15.975 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.877 15.553 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.305 17.209 1.657 1.00 0.00 H new ATOM 0 HG SER A 88 2.880 16.162 3.683 1.00 0.00 H new ATOM 1321 N PRO A 89 1.806 18.008 -0.616 1.00 0.00 N ATOM 1322 CA PRO A 89 2.020 19.016 -1.659 1.00 0.00 C ATOM 1323 C PRO A 89 3.408 19.644 -1.583 1.00 0.00 C ATOM 1324 O PRO A 89 3.957 20.087 -2.593 1.00 0.00 O ATOM 1325 CB PRO A 89 0.945 20.063 -1.364 1.00 0.00 C ATOM 1326 CG PRO A 89 0.690 19.939 0.098 1.00 0.00 C ATOM 1327 CD PRO A 89 0.880 18.484 0.430 1.00 0.00 C ATOM 0 HA PRO A 89 1.956 18.587 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.286 21.065 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.040 19.875 -1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.378 20.562 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.319 20.268 0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.299 18.352 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.065 17.941 0.407 1.00 0.00 H new ATOM 1335 N LEU A 90 3.971 19.678 -0.380 1.00 0.00 N ATOM 1336 CA LEU A 90 5.295 20.253 -0.170 1.00 0.00 C ATOM 1337 C LEU A 90 6.348 19.511 -0.988 1.00 0.00 C ATOM 1338 O LEU A 90 7.191 20.128 -1.638 1.00 0.00 O ATOM 1339 CB LEU A 90 5.663 20.210 1.314 1.00 0.00 C ATOM 1340 CG LEU A 90 5.098 21.357 2.154 1.00 0.00 C ATOM 1341 CD1 LEU A 90 3.670 21.053 2.579 1.00 0.00 C ATOM 1342 CD2 LEU A 90 5.977 21.609 3.370 1.00 0.00 C ATOM 0 H LEU A 90 3.531 19.314 0.465 1.00 0.00 H new ATOM 0 HA LEU A 90 5.269 21.291 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.313 19.266 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.749 20.215 1.404 1.00 0.00 H new ATOM 0 HG LEU A 90 5.089 22.260 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.284 21.880 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.047 20.922 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.654 20.139 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.561 22.428 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.018 20.708 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.983 21.872 3.043 1.00 0.00 H new ATOM 1354 N ALA A 91 6.291 18.183 -0.952 1.00 0.00 N ATOM 1355 CA ALA A 91 7.240 17.358 -1.689 1.00 0.00 C ATOM 1356 C ALA A 91 7.175 17.645 -3.185 1.00 0.00 C ATOM 1357 O ALA A 91 6.403 18.494 -3.631 1.00 0.00 O ATOM 1358 CB ALA A 91 6.976 15.883 -1.421 1.00 0.00 C ATOM 0 H ALA A 91 5.598 17.656 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 91 8.243 17.606 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.692 15.278 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.083 15.682 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.964 15.631 -1.738 1.00 0.00 H new ATOM 1364 N ARG A 92 7.990 16.931 -3.955 1.00 0.00 N ATOM 1365 CA ARG A 92 8.026 17.107 -5.402 1.00 0.00 C ATOM 1366 C ARG A 92 9.001 16.127 -6.048 1.00 0.00 C ATOM 1367 O ARG A 92 8.743 15.605 -7.132 1.00 0.00 O ATOM 1368 CB ARG A 92 8.422 18.542 -5.755 1.00 0.00 C ATOM 1369 CG ARG A 92 8.343 18.846 -7.242 1.00 0.00 C ATOM 1370 CD ARG A 92 7.832 20.256 -7.496 1.00 0.00 C ATOM 1371 NE ARG A 92 8.414 20.839 -8.703 1.00 0.00 N ATOM 1372 CZ ARG A 92 9.707 21.120 -8.842 1.00 0.00 C ATOM 1373 NH1 ARG A 92 10.556 20.874 -7.852 1.00 0.00 N ATOM 1374 NH2 ARG A 92 10.153 21.650 -9.973 1.00 0.00 N ATOM 0 H ARG A 92 8.635 16.225 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 92 7.027 16.907 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.773 19.232 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.439 18.725 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.329 18.729 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.684 18.126 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.746 20.237 -7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.067 20.887 -6.639 1.00 0.00 H new ATOM 0 HE ARG A 92 7.792 21.043 -9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.218 20.468 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.546 21.091 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.505 21.842 -10.737 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.144 21.865 -10.079 1.00 0.00 H new ATOM 1388 N ARG A 93 10.123 15.884 -5.376 1.00 0.00 N ATOM 1389 CA ARG A 93 11.137 14.969 -5.889 1.00 0.00 C ATOM 1390 C ARG A 93 10.890 13.542 -5.401 1.00 0.00 C ATOM 1391 O ARG A 93 11.803 12.877 -4.911 1.00 0.00 O ATOM 1392 CB ARG A 93 12.532 15.432 -5.466 1.00 0.00 C ATOM 1393 CG ARG A 93 13.043 16.626 -6.258 1.00 0.00 C ATOM 1394 CD ARG A 93 13.053 17.896 -5.419 1.00 0.00 C ATOM 1395 NE ARG A 93 14.391 18.471 -5.314 1.00 0.00 N ATOM 1396 CZ ARG A 93 14.752 19.346 -4.378 1.00 0.00 C ATOM 1397 NH1 ARG A 93 13.878 19.748 -3.464 1.00 0.00 N ATOM 1398 NH2 ARG A 93 15.991 19.818 -4.355 1.00 0.00 N ATOM 0 H ARG A 93 10.352 16.307 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 93 11.073 14.973 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.515 15.689 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.231 14.604 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.051 16.420 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.415 16.775 -7.137 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.377 18.628 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.674 17.675 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 93 15.091 18.185 -5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.924 19.386 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.160 20.419 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.667 19.511 -5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.268 20.488 -3.638 1.00 0.00 H new ATOM 1412 N VAL A 94 9.654 13.076 -5.546 1.00 0.00 N ATOM 1413 CA VAL A 94 9.293 11.727 -5.125 1.00 0.00 C ATOM 1414 C VAL A 94 9.097 10.818 -6.334 1.00 0.00 C ATOM 1415 O VAL A 94 8.068 10.878 -7.007 1.00 0.00 O ATOM 1416 CB VAL A 94 8.007 11.723 -4.275 1.00 0.00 C ATOM 1417 CG1 VAL A 94 7.695 10.319 -3.778 1.00 0.00 C ATOM 1418 CG2 VAL A 94 8.134 12.691 -3.109 1.00 0.00 C ATOM 0 H VAL A 94 8.886 13.612 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 94 10.115 11.352 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 94 7.180 12.052 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.784 10.339 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.556 9.654 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.522 9.957 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.217 12.674 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.974 12.395 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.303 13.698 -3.489 1.00 0.00 H new ATOM 1428 N ASP A 95 10.091 9.980 -6.606 1.00 0.00 N ATOM 1429 CA ASP A 95 10.030 9.061 -7.737 1.00 0.00 C ATOM 1430 C ASP A 95 9.102 7.887 -7.439 1.00 0.00 C ATOM 1431 O ASP A 95 8.885 7.533 -6.280 1.00 0.00 O ATOM 1432 CB ASP A 95 11.429 8.546 -8.078 1.00 0.00 C ATOM 1433 CG ASP A 95 12.401 9.671 -8.374 1.00 0.00 C ATOM 1434 OD1 ASP A 95 12.124 10.471 -9.292 1.00 0.00 O ATOM 1435 OD2 ASP A 95 13.442 9.751 -7.687 1.00 0.00 O ATOM 0 H ASP A 95 10.949 9.918 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 95 9.631 9.606 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.807 7.952 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.369 7.884 -8.942 1.00 0.00 H new ATOM 1440 N ARG A 96 8.559 7.289 -8.494 1.00 0.00 N ATOM 1441 CA ARG A 96 7.655 6.154 -8.351 1.00 0.00 C ATOM 1442 C ARG A 96 8.359 4.980 -7.678 1.00 0.00 C ATOM 1443 O ARG A 96 7.785 4.304 -6.824 1.00 0.00 O ATOM 1444 CB ARG A 96 7.122 5.725 -9.719 1.00 0.00 C ATOM 1445 CG ARG A 96 8.216 5.440 -10.735 1.00 0.00 C ATOM 1446 CD ARG A 96 7.643 4.924 -12.044 1.00 0.00 C ATOM 1447 NE ARG A 96 7.443 5.998 -13.015 1.00 0.00 N ATOM 1448 CZ ARG A 96 7.336 5.800 -14.328 1.00 0.00 C ATOM 1449 NH1 ARG A 96 7.405 4.574 -14.831 1.00 0.00 N ATOM 1450 NH2 ARG A 96 7.157 6.834 -15.140 1.00 0.00 N ATOM 0 H ARG A 96 8.730 7.572 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 96 6.820 6.464 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.509 4.832 -9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.471 6.508 -10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.787 6.350 -10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.910 4.706 -10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.315 4.176 -12.464 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.692 4.427 -11.853 1.00 0.00 H new ATOM 0 HE ARG A 96 7.382 6.955 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.541 3.775 -14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.322 4.430 -15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.102 7.778 -14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.075 6.684 -16.146 1.00 0.00 H new ATOM 1464 N VAL A 97 9.607 4.744 -8.069 1.00 0.00 N ATOM 1465 CA VAL A 97 10.393 3.652 -7.506 1.00 0.00 C ATOM 1466 C VAL A 97 10.504 3.775 -5.989 1.00 0.00 C ATOM 1467 O VAL A 97 10.679 2.778 -5.287 1.00 0.00 O ATOM 1468 CB VAL A 97 11.810 3.611 -8.110 1.00 0.00 C ATOM 1469 CG1 VAL A 97 12.548 2.358 -7.662 1.00 0.00 C ATOM 1470 CG2 VAL A 97 11.745 3.689 -9.628 1.00 0.00 C ATOM 0 H VAL A 97 10.096 5.295 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 97 9.871 2.728 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 97 12.364 4.477 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.546 2.348 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.628 2.352 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.999 1.475 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.755 3.659 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.172 2.844 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.261 4.620 -9.924 1.00 0.00 H new ATOM 1480 N ALA A 98 10.403 5.002 -5.488 1.00 0.00 N ATOM 1481 CA ALA A 98 10.492 5.254 -4.055 1.00 0.00 C ATOM 1482 C ALA A 98 9.420 4.484 -3.292 1.00 0.00 C ATOM 1483 O ALA A 98 9.723 3.730 -2.367 1.00 0.00 O ATOM 1484 CB ALA A 98 10.376 6.743 -3.774 1.00 0.00 C ATOM 0 H ALA A 98 10.259 5.838 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 98 11.465 4.905 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.444 6.917 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.184 7.273 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.417 7.109 -4.141 1.00 0.00 H new ATOM 1490 N ILE A 99 8.165 4.678 -3.685 1.00 0.00 N ATOM 1491 CA ILE A 99 7.050 4.000 -3.034 1.00 0.00 C ATOM 1492 C ILE A 99 7.089 2.497 -3.296 1.00 0.00 C ATOM 1493 O ILE A 99 6.509 1.712 -2.547 1.00 0.00 O ATOM 1494 CB ILE A 99 5.691 4.558 -3.508 1.00 0.00 C ATOM 1495 CG1 ILE A 99 5.672 6.083 -3.399 1.00 0.00 C ATOM 1496 CG2 ILE A 99 4.556 3.949 -2.697 1.00 0.00 C ATOM 1497 CD1 ILE A 99 4.792 6.753 -4.432 1.00 0.00 C ATOM 0 H ILE A 99 7.895 5.298 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 99 7.154 4.183 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 99 5.551 4.287 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.328 6.364 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.690 6.459 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.604 4.352 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.559 2.866 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.691 4.192 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.827 7.834 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.149 6.503 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.765 6.406 -4.316 1.00 0.00 H new ATOM 1509 N TYR A 100 7.776 2.101 -4.364 1.00 0.00 N ATOM 1510 CA TYR A 100 7.887 0.692 -4.722 1.00 0.00 C ATOM 1511 C TYR A 100 8.979 0.006 -3.908 1.00 0.00 C ATOM 1512 O TYR A 100 8.792 -1.104 -3.409 1.00 0.00 O ATOM 1513 CB TYR A 100 8.191 0.550 -6.214 1.00 0.00 C ATOM 1514 CG TYR A 100 8.221 -0.884 -6.693 1.00 0.00 C ATOM 1515 CD1 TYR A 100 7.088 -1.683 -6.625 1.00 0.00 C ATOM 1516 CD2 TYR A 100 9.385 -1.437 -7.216 1.00 0.00 C ATOM 1517 CE1 TYR A 100 7.111 -2.995 -7.062 1.00 0.00 C ATOM 1518 CE2 TYR A 100 9.416 -2.747 -7.655 1.00 0.00 C ATOM 1519 CZ TYR A 100 8.277 -3.521 -7.576 1.00 0.00 C ATOM 1520 OH TYR A 100 8.304 -4.826 -8.013 1.00 0.00 O ATOM 0 H TYR A 100 8.264 2.736 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 100 6.935 0.211 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.440 1.098 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.154 1.015 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.173 -1.273 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.278 -0.833 -7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.221 -3.604 -7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.328 -3.163 -8.058 1.00 0.00 H new ATOM 0 HH TYR A 100 9.200 -5.041 -8.347 1.00 0.00 H new ATOM 1530 N GLU A 101 10.119 0.674 -3.781 1.00 0.00 N ATOM 1531 CA GLU A 101 11.246 0.132 -3.035 1.00 0.00 C ATOM 1532 C GLU A 101 10.926 0.024 -1.546 1.00 0.00 C ATOM 1533 O GLU A 101 11.123 -1.026 -0.935 1.00 0.00 O ATOM 1534 CB GLU A 101 12.480 1.011 -3.241 1.00 0.00 C ATOM 1535 CG GLU A 101 13.183 0.771 -4.566 1.00 0.00 C ATOM 1536 CD GLU A 101 14.690 0.897 -4.456 1.00 0.00 C ATOM 1537 OE1 GLU A 101 15.252 0.441 -3.439 1.00 0.00 O ATOM 1538 OE2 GLU A 101 15.309 1.454 -5.388 1.00 0.00 O ATOM 0 H GLU A 101 10.287 1.595 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 101 11.448 -0.871 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.184 2.058 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.184 0.831 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.931 -0.224 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.815 1.485 -5.303 1.00 0.00 H new ATOM 1545 N GLU A 102 10.438 1.116 -0.968 1.00 0.00 N ATOM 1546 CA GLU A 102 10.098 1.141 0.452 1.00 0.00 C ATOM 1547 C GLU A 102 8.966 0.167 0.767 1.00 0.00 C ATOM 1548 O GLU A 102 8.968 -0.482 1.813 1.00 0.00 O ATOM 1549 CB GLU A 102 9.704 2.556 0.880 1.00 0.00 C ATOM 1550 CG GLU A 102 8.433 3.062 0.216 1.00 0.00 C ATOM 1551 CD GLU A 102 7.178 2.585 0.921 1.00 0.00 C ATOM 1552 OE1 GLU A 102 7.268 2.223 2.113 1.00 0.00 O ATOM 1553 OE2 GLU A 102 6.106 2.572 0.280 1.00 0.00 O ATOM 0 H GLU A 102 10.269 1.994 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 102 10.980 0.831 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.571 2.575 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.522 3.238 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.445 4.152 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.412 2.728 -0.821 1.00 0.00 H new ATOM 1560 N PHE A 103 7.999 0.074 -0.139 1.00 0.00 N ATOM 1561 CA PHE A 103 6.860 -0.819 0.049 1.00 0.00 C ATOM 1562 C PHE A 103 7.302 -2.279 0.054 1.00 0.00 C ATOM 1563 O PHE A 103 6.731 -3.108 0.762 1.00 0.00 O ATOM 1564 CB PHE A 103 5.820 -0.591 -1.049 1.00 0.00 C ATOM 1565 CG PHE A 103 4.595 -1.449 -0.904 1.00 0.00 C ATOM 1566 CD1 PHE A 103 3.587 -1.094 -0.021 1.00 0.00 C ATOM 1567 CD2 PHE A 103 4.452 -2.607 -1.649 1.00 0.00 C ATOM 1568 CE1 PHE A 103 2.458 -1.880 0.114 1.00 0.00 C ATOM 1569 CE2 PHE A 103 3.325 -3.397 -1.517 1.00 0.00 C ATOM 1570 CZ PHE A 103 2.328 -3.033 -0.635 1.00 0.00 C ATOM 0 H PHE A 103 7.980 0.605 -1.010 1.00 0.00 H new ATOM 0 HA PHE A 103 6.412 -0.594 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.522 0.457 -1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.278 -0.787 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.685 -0.194 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.229 -2.896 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.679 -1.593 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.225 -4.298 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.447 -3.649 -0.531 1.00 0.00 H new ATOM 1580 N LEU A 104 8.320 -2.589 -0.743 1.00 0.00 N ATOM 1581 CA LEU A 104 8.833 -3.952 -0.830 1.00 0.00 C ATOM 1582 C LEU A 104 9.662 -4.305 0.402 1.00 0.00 C ATOM 1583 O LEU A 104 9.714 -5.463 0.815 1.00 0.00 O ATOM 1584 CB LEU A 104 9.680 -4.119 -2.094 1.00 0.00 C ATOM 1585 CG LEU A 104 8.908 -3.998 -3.408 1.00 0.00 C ATOM 1586 CD1 LEU A 104 9.835 -3.558 -4.532 1.00 0.00 C ATOM 1587 CD2 LEU A 104 8.236 -5.317 -3.754 1.00 0.00 C ATOM 0 H LEU A 104 8.805 -1.916 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 104 7.982 -4.631 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.472 -3.370 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.164 -5.095 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 104 8.134 -3.240 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.269 -3.477 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.270 -2.589 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.631 -4.292 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.691 -5.213 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.993 -6.094 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.542 -5.591 -2.960 1.00 0.00 H new ATOM 1599 N ARG A 105 10.308 -3.300 0.983 1.00 0.00 N ATOM 1600 CA ARG A 105 11.135 -3.506 2.167 1.00 0.00 C ATOM 1601 C ARG A 105 10.277 -3.841 3.383 1.00 0.00 C ATOM 1602 O ARG A 105 10.724 -4.532 4.299 1.00 0.00 O ATOM 1603 CB ARG A 105 11.977 -2.260 2.448 1.00 0.00 C ATOM 1604 CG ARG A 105 13.419 -2.572 2.819 1.00 0.00 C ATOM 1605 CD ARG A 105 14.401 -1.854 1.906 1.00 0.00 C ATOM 1606 NE ARG A 105 15.722 -2.478 1.924 1.00 0.00 N ATOM 1607 CZ ARG A 105 16.029 -3.582 1.248 1.00 0.00 C ATOM 1608 NH1 ARG A 105 15.115 -4.188 0.500 1.00 0.00 N ATOM 1609 NH2 ARG A 105 17.255 -4.084 1.320 1.00 0.00 N ATOM 0 H ARG A 105 10.275 -2.335 0.654 1.00 0.00 H new ATOM 0 HA ARG A 105 11.798 -4.349 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.968 -1.619 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.516 -1.695 3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.601 -2.278 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.586 -3.648 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.014 -1.853 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.488 -0.812 2.215 1.00 0.00 H new ATOM 0 HE ARG A 105 16.452 -2.042 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.170 -3.808 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.357 -5.034 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.962 -3.624 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.491 -4.930 0.802 1.00 0.00 H new ATOM 1623 N MET A 106 9.044 -3.342 3.389 1.00 0.00 N ATOM 1624 CA MET A 106 8.126 -3.588 4.496 1.00 0.00 C ATOM 1625 C MET A 106 7.257 -4.816 4.234 1.00 0.00 C ATOM 1626 O MET A 106 6.744 -5.433 5.166 1.00 0.00 O ATOM 1627 CB MET A 106 7.240 -2.364 4.730 1.00 0.00 C ATOM 1628 CG MET A 106 6.506 -2.393 6.061 1.00 0.00 C ATOM 1629 SD MET A 106 6.984 -1.039 7.153 1.00 0.00 S ATOM 1630 CE MET A 106 6.824 0.359 6.045 1.00 0.00 C ATOM 0 H MET A 106 8.658 -2.766 2.641 1.00 0.00 H new ATOM 0 HA MET A 106 8.722 -3.777 5.389 1.00 0.00 H new ATOM 0 HB2 MET A 106 7.855 -1.465 4.683 1.00 0.00 H new ATOM 0 HB3 MET A 106 6.511 -2.294 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.432 -2.346 5.880 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.704 -3.342 6.559 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.815 0.718 5.767 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.284 0.053 5.149 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.276 1.158 6.544 1.00 0.00 H new ATOM 1640 N THR A 107 7.092 -5.164 2.961 1.00 0.00 N ATOM 1641 CA THR A 107 6.282 -6.318 2.586 1.00 0.00 C ATOM 1642 C THR A 107 7.147 -7.559 2.384 1.00 0.00 C ATOM 1643 O THR A 107 6.760 -8.487 1.675 1.00 0.00 O ATOM 1644 CB THR A 107 5.496 -6.019 1.308 1.00 0.00 C ATOM 1645 OG1 THR A 107 6.372 -5.666 0.251 1.00 0.00 O ATOM 1646 CG2 THR A 107 4.496 -4.895 1.470 1.00 0.00 C ATOM 0 H THR A 107 7.507 -4.665 2.174 1.00 0.00 H new ATOM 0 HA THR A 107 5.585 -6.517 3.400 1.00 0.00 H new ATOM 0 HB THR A 107 4.953 -6.937 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.358 -4.694 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.973 -4.735 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.775 -5.158 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.018 -3.982 1.755 1.00 0.00 H new ATOM 1654 N HIS A 108 8.321 -7.571 3.013 1.00 0.00 N ATOM 1655 CA HIS A 108 9.237 -8.703 2.901 1.00 0.00 C ATOM 1656 C HIS A 108 9.504 -9.050 1.439 1.00 0.00 C ATOM 1657 O HIS A 108 9.136 -10.125 0.966 1.00 0.00 O ATOM 1658 CB HIS A 108 8.667 -9.919 3.633 1.00 0.00 C ATOM 1659 CG HIS A 108 8.680 -9.781 5.123 1.00 0.00 C ATOM 1660 ND1 HIS A 108 9.841 -9.667 5.859 1.00 0.00 N ATOM 1661 CD2 HIS A 108 7.665 -9.738 6.018 1.00 0.00 C ATOM 1662 CE1 HIS A 108 9.539 -9.561 7.140 1.00 0.00 C ATOM 1663 NE2 HIS A 108 8.226 -9.600 7.263 1.00 0.00 N ATOM 0 H HIS A 108 8.659 -6.811 3.604 1.00 0.00 H new ATOM 0 HA HIS A 108 10.183 -8.419 3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 108 7.642 -10.085 3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.240 -10.803 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 108 6.610 -9.801 5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.247 -9.460 7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 108 7.711 -9.538 8.141 1.00 0.00 H new ATOM 1672 N ASN A 109 10.146 -8.130 0.726 1.00 0.00 N ATOM 1673 CA ASN A 109 10.460 -8.339 -0.683 1.00 0.00 C ATOM 1674 C ASN A 109 9.185 -8.504 -1.503 1.00 0.00 C ATOM 1675 O ASN A 109 9.173 -9.204 -2.517 1.00 0.00 O ATOM 1676 CB ASN A 109 11.352 -9.570 -0.852 1.00 0.00 C ATOM 1677 CG ASN A 109 12.022 -9.620 -2.211 1.00 0.00 C ATOM 1678 OD1 ASN A 109 12.053 -8.625 -2.936 1.00 0.00 O ATOM 1679 ND2 ASN A 109 12.561 -10.780 -2.564 1.00 0.00 N ATOM 0 H ASN A 109 10.459 -7.234 1.100 1.00 0.00 H new ATOM 0 HA ASN A 109 10.994 -7.461 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.115 -9.571 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 109 10.753 -10.470 -0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 109 13.024 -10.873 -3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 109 12.512 -11.579 -1.931 1.00 0.00 H new ATOM 1686 N GLY A 110 8.113 -7.857 -1.059 1.00 0.00 N ATOM 1687 CA GLY A 110 6.848 -7.945 -1.763 1.00 0.00 C ATOM 1688 C GLY A 110 6.269 -9.346 -1.742 1.00 0.00 C ATOM 1689 O GLY A 110 6.004 -9.931 -2.792 1.00 0.00 O ATOM 0 H GLY A 110 8.098 -7.273 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.136 -7.254 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.988 -7.629 -2.797 1.00 0.00 H new ATOM 1693 N THR A 111 6.075 -9.886 -0.543 1.00 0.00 N ATOM 1694 CA THR A 111 5.525 -11.228 -0.390 1.00 0.00 C ATOM 1695 C THR A 111 4.345 -11.231 0.576 1.00 0.00 C ATOM 1696 O THR A 111 3.314 -11.847 0.310 1.00 0.00 O ATOM 1697 CB THR A 111 6.605 -12.191 0.107 1.00 0.00 C ATOM 1698 OG1 THR A 111 7.184 -11.718 1.309 1.00 0.00 O ATOM 1699 CG2 THR A 111 7.724 -12.402 -0.890 1.00 0.00 C ATOM 0 H THR A 111 6.290 -9.415 0.336 1.00 0.00 H new ATOM 0 HA THR A 111 5.171 -11.558 -1.367 1.00 0.00 H new ATOM 0 HB THR A 111 6.095 -13.142 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.636 -10.865 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.455 -13.095 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.316 -12.815 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.207 -11.448 -1.102 1.00 0.00 H new ATOM 1707 N GLN A 112 4.505 -10.541 1.701 1.00 0.00 N ATOM 1708 CA GLN A 112 3.451 -10.468 2.707 1.00 0.00 C ATOM 1709 C GLN A 112 3.225 -9.031 3.163 1.00 0.00 C ATOM 1710 O GLN A 112 4.109 -8.407 3.749 1.00 0.00 O ATOM 1711 CB GLN A 112 3.806 -11.345 3.909 1.00 0.00 C ATOM 1712 CG GLN A 112 2.653 -11.546 4.877 1.00 0.00 C ATOM 1713 CD GLN A 112 2.893 -12.691 5.841 1.00 0.00 C ATOM 1714 OE1 GLN A 112 3.819 -13.483 5.663 1.00 0.00 O ATOM 1715 NE2 GLN A 112 2.057 -12.785 6.868 1.00 0.00 N ATOM 0 H GLN A 112 5.352 -10.025 1.939 1.00 0.00 H new ATOM 0 HA GLN A 112 2.529 -10.833 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.143 -12.318 3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.643 -10.894 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.494 -10.628 5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.739 -11.736 4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.303 -12.106 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.168 -13.536 7.549 1.00 0.00 H new ATOM 1724 N LEU A 113 2.030 -8.512 2.895 1.00 0.00 N ATOM 1725 CA LEU A 113 1.684 -7.150 3.282 1.00 0.00 C ATOM 1726 C LEU A 113 0.972 -7.137 4.632 1.00 0.00 C ATOM 1727 O LEU A 113 -0.250 -7.263 4.700 1.00 0.00 O ATOM 1728 CB LEU A 113 0.800 -6.502 2.211 1.00 0.00 C ATOM 1729 CG LEU A 113 0.367 -5.056 2.491 1.00 0.00 C ATOM 1730 CD1 LEU A 113 -0.896 -5.029 3.336 1.00 0.00 C ATOM 1731 CD2 LEU A 113 1.483 -4.276 3.174 1.00 0.00 C ATOM 0 H LEU A 113 1.286 -9.015 2.411 1.00 0.00 H new ATOM 0 HA LEU A 113 2.605 -6.575 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.336 -6.524 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.095 -7.112 2.087 1.00 0.00 H new ATOM 0 HG LEU A 113 0.153 -4.577 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.186 -3.995 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.699 -5.541 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.709 -5.531 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.151 -3.255 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.735 -4.755 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.362 -4.259 2.530 1.00 0.00 H new ATOM 1743 N LEU A 114 1.748 -6.988 5.701 1.00 0.00 N ATOM 1744 CA LEU A 114 1.199 -6.960 7.052 1.00 0.00 C ATOM 1745 C LEU A 114 0.487 -8.269 7.384 1.00 0.00 C ATOM 1746 O LEU A 114 1.051 -9.142 8.044 1.00 0.00 O ATOM 1747 CB LEU A 114 0.236 -5.781 7.211 1.00 0.00 C ATOM 1748 CG LEU A 114 0.904 -4.406 7.284 1.00 0.00 C ATOM 1749 CD1 LEU A 114 -0.135 -3.319 7.516 1.00 0.00 C ATOM 1750 CD2 LEU A 114 1.958 -4.385 8.381 1.00 0.00 C ATOM 0 H LEU A 114 2.762 -6.885 5.657 1.00 0.00 H new ATOM 0 HA LEU A 114 2.028 -6.837 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.461 -5.785 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.352 -5.931 8.116 1.00 0.00 H new ATOM 0 HG LEU A 114 1.396 -4.210 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.359 -2.348 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.852 -3.320 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.657 -3.509 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.423 -3.400 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.489 -4.602 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.718 -5.137 8.170 1.00 0.00 H new ATOM 1762 N ASN A 115 -0.754 -8.401 6.925 1.00 0.00 N ATOM 1763 CA ASN A 115 -1.538 -9.605 7.175 1.00 0.00 C ATOM 1764 C ASN A 115 -2.211 -10.092 5.896 1.00 0.00 C ATOM 1765 O ASN A 115 -3.347 -10.566 5.922 1.00 0.00 O ATOM 1766 CB ASN A 115 -2.593 -9.336 8.250 1.00 0.00 C ATOM 1767 CG ASN A 115 -2.017 -9.382 9.651 1.00 0.00 C ATOM 1768 OD1 ASN A 115 -2.283 -10.310 10.415 1.00 0.00 O ATOM 1769 ND2 ASN A 115 -1.221 -8.377 9.996 1.00 0.00 N ATOM 0 H ASN A 115 -1.238 -7.689 6.378 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.861 -10.384 7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.042 -8.358 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.391 -10.073 8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -0.803 -8.354 10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.027 -7.628 9.331 1.00 0.00 H new ATOM 1776 N PHE A 116 -1.504 -9.972 4.778 1.00 0.00 N ATOM 1777 CA PHE A 116 -2.033 -10.401 3.488 1.00 0.00 C ATOM 1778 C PHE A 116 -0.905 -10.775 2.533 1.00 0.00 C ATOM 1779 O PHE A 116 -0.149 -9.914 2.081 1.00 0.00 O ATOM 1780 CB PHE A 116 -2.893 -9.296 2.874 1.00 0.00 C ATOM 1781 CG PHE A 116 -4.264 -9.197 3.479 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -4.483 -8.426 4.609 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -5.334 -9.875 2.917 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -5.744 -8.333 5.169 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -6.597 -9.785 3.471 1.00 0.00 C ATOM 1786 CZ PHE A 116 -6.802 -9.014 4.599 1.00 0.00 C ATOM 0 H PHE A 116 -0.563 -9.581 4.739 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.651 -11.284 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.382 -8.341 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -2.989 -9.474 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.659 -7.891 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.179 -10.481 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -5.901 -7.729 6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.423 -10.317 3.023 1.00 0.00 H new ATOM 0 HZ PHE A 116 -7.788 -8.944 5.034 1.00 0.00 H new ATOM 1796 N THR A 117 -0.798 -12.065 2.229 1.00 0.00 N ATOM 1797 CA THR A 117 0.239 -12.554 1.327 1.00 0.00 C ATOM 1798 C THR A 117 -0.096 -12.213 -0.121 1.00 0.00 C ATOM 1799 O THR A 117 -1.134 -12.622 -0.642 1.00 0.00 O ATOM 1800 CB THR A 117 0.406 -14.067 1.481 1.00 0.00 C ATOM 1801 OG1 THR A 117 -0.837 -14.727 1.321 1.00 0.00 O ATOM 1802 CG2 THR A 117 0.971 -14.472 2.826 1.00 0.00 C ATOM 0 H THR A 117 -1.416 -12.790 2.594 1.00 0.00 H new ATOM 0 HA THR A 117 1.176 -12.063 1.590 1.00 0.00 H new ATOM 0 HB THR A 117 1.112 -14.361 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.271 -14.823 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.064 -15.557 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.953 -14.018 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.303 -14.133 3.618 1.00 0.00 H new ATOM 1810 N LEU A 118 0.792 -11.464 -0.767 1.00 0.00 N ATOM 1811 CA LEU A 118 0.590 -11.071 -2.156 1.00 0.00 C ATOM 1812 C LEU A 118 1.865 -11.268 -2.969 1.00 0.00 C ATOM 1813 O LEU A 118 2.962 -11.340 -2.415 1.00 0.00 O ATOM 1814 CB LEU A 118 0.132 -9.612 -2.237 1.00 0.00 C ATOM 1815 CG LEU A 118 1.099 -8.590 -1.638 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.078 -8.098 -2.694 1.00 0.00 C ATOM 1817 CD2 LEU A 118 0.330 -7.424 -1.035 1.00 0.00 C ATOM 0 H LEU A 118 1.657 -11.118 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.187 -11.708 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.036 -9.359 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.828 -9.521 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 118 1.668 -9.075 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.758 -7.372 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.650 -8.941 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.528 -7.628 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.032 -6.705 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.263 -6.940 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.330 -7.791 -0.249 1.00 0.00 H new ATOM 1829 N ASP A 119 1.711 -11.364 -4.285 1.00 0.00 N ATOM 1830 CA ASP A 119 2.848 -11.563 -5.177 1.00 0.00 C ATOM 1831 C ASP A 119 3.716 -10.312 -5.252 1.00 0.00 C ATOM 1832 O ASP A 119 3.280 -9.218 -4.890 1.00 0.00 O ATOM 1833 CB ASP A 119 2.364 -11.946 -6.576 1.00 0.00 C ATOM 1834 CG ASP A 119 3.249 -12.991 -7.228 1.00 0.00 C ATOM 1835 OD1 ASP A 119 3.622 -13.966 -6.542 1.00 0.00 O ATOM 1836 OD2 ASP A 119 3.571 -12.834 -8.424 1.00 0.00 O ATOM 0 H ASP A 119 0.809 -11.307 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 119 3.453 -12.374 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.344 -12.325 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 119 2.335 -11.055 -7.204 1.00 0.00 H new ATOM 1841 N ARG A 120 4.946 -10.481 -5.724 1.00 0.00 N ATOM 1842 CA ARG A 120 5.879 -9.367 -5.849 1.00 0.00 C ATOM 1843 C ARG A 120 5.829 -8.771 -7.253 1.00 0.00 C ATOM 1844 O ARG A 120 5.790 -7.552 -7.418 1.00 0.00 O ATOM 1845 CB ARG A 120 7.302 -9.828 -5.530 1.00 0.00 C ATOM 1846 CG ARG A 120 8.310 -8.693 -5.466 1.00 0.00 C ATOM 1847 CD ARG A 120 9.738 -9.215 -5.436 1.00 0.00 C ATOM 1848 NE ARG A 120 10.083 -9.934 -6.661 1.00 0.00 N ATOM 1849 CZ ARG A 120 11.318 -10.323 -6.968 1.00 0.00 C ATOM 1850 NH1 ARG A 120 12.327 -10.065 -6.145 1.00 0.00 N ATOM 1851 NH2 ARG A 120 11.545 -10.973 -8.102 1.00 0.00 N ATOM 0 H ARG A 120 5.321 -11.380 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 120 5.585 -8.597 -5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.299 -10.354 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.621 -10.544 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.179 -8.040 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.124 -8.089 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.426 -8.381 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.864 -9.877 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 120 9.334 -10.150 -7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.158 -9.566 -5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.271 -10.366 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.773 -11.174 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.491 -11.272 -8.338 1.00 0.00 H new ATOM 1865 N LYS A 121 5.831 -9.639 -8.259 1.00 0.00 N ATOM 1866 CA LYS A 121 5.784 -9.198 -9.649 1.00 0.00 C ATOM 1867 C LYS A 121 4.542 -8.354 -9.911 1.00 0.00 C ATOM 1868 O LYS A 121 4.572 -7.416 -10.707 1.00 0.00 O ATOM 1869 CB LYS A 121 5.804 -10.404 -10.591 1.00 0.00 C ATOM 1870 CG LYS A 121 7.205 -10.852 -10.974 1.00 0.00 C ATOM 1871 CD LYS A 121 7.187 -11.746 -12.204 1.00 0.00 C ATOM 1872 CE LYS A 121 8.373 -11.468 -13.112 1.00 0.00 C ATOM 1873 NZ LYS A 121 9.648 -11.376 -12.348 1.00 0.00 N ATOM 0 H LYS A 121 5.865 -10.651 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 121 6.665 -8.584 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.283 -11.235 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.250 -10.157 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.828 -9.978 -11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.658 -11.388 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.201 -12.791 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.260 -11.589 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.453 -12.259 -13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.206 -10.536 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.444 -11.625 -12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.773 -10.405 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.618 -12.034 -11.543 1.00 0.00 H new ATOM 1887 N SER A 122 3.450 -8.694 -9.235 1.00 0.00 N ATOM 1888 CA SER A 122 2.197 -7.967 -9.392 1.00 0.00 C ATOM 1889 C SER A 122 2.305 -6.565 -8.802 1.00 0.00 C ATOM 1890 O SER A 122 1.654 -5.630 -9.271 1.00 0.00 O ATOM 1891 CB SER A 122 1.052 -8.729 -8.721 1.00 0.00 C ATOM 1892 OG SER A 122 1.226 -8.774 -7.315 1.00 0.00 O ATOM 0 H SER A 122 3.408 -9.469 -8.573 1.00 0.00 H new ATOM 0 HA SER A 122 1.988 -7.878 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.103 -8.249 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.004 -9.743 -9.118 1.00 0.00 H new ATOM 0 HG SER A 122 0.373 -8.997 -6.887 1.00 0.00 H new ATOM 1898 N VAL A 123 3.131 -6.425 -7.770 1.00 0.00 N ATOM 1899 CA VAL A 123 3.325 -5.137 -7.116 1.00 0.00 C ATOM 1900 C VAL A 123 4.022 -4.150 -8.045 1.00 0.00 C ATOM 1901 O VAL A 123 5.000 -4.492 -8.710 1.00 0.00 O ATOM 1902 CB VAL A 123 4.153 -5.281 -5.824 1.00 0.00 C ATOM 1903 CG1 VAL A 123 4.212 -3.959 -5.075 1.00 0.00 C ATOM 1904 CG2 VAL A 123 3.578 -6.377 -4.938 1.00 0.00 C ATOM 0 H VAL A 123 3.676 -7.188 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 123 2.335 -4.758 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 123 5.170 -5.563 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 123 4.801 -4.082 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 123 4.675 -3.202 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 123 3.202 -3.644 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.176 -6.463 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.550 -6.129 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.595 -7.325 -5.475 1.00 0.00 H new ATOM 1914 N PHE A 124 3.511 -2.924 -8.089 1.00 0.00 N ATOM 1915 CA PHE A 124 4.084 -1.886 -8.937 1.00 0.00 C ATOM 1916 C PHE A 124 3.410 -0.542 -8.684 1.00 0.00 C ATOM 1917 O PHE A 124 2.256 -0.485 -8.259 1.00 0.00 O ATOM 1918 CB PHE A 124 3.944 -2.271 -10.412 1.00 0.00 C ATOM 1919 CG PHE A 124 4.853 -1.496 -11.322 1.00 0.00 C ATOM 1920 CD1 PHE A 124 4.501 -0.229 -11.759 1.00 0.00 C ATOM 1921 CD2 PHE A 124 6.058 -2.035 -11.743 1.00 0.00 C ATOM 1922 CE1 PHE A 124 5.336 0.487 -12.598 1.00 0.00 C ATOM 1923 CE2 PHE A 124 6.896 -1.325 -12.581 1.00 0.00 C ATOM 1924 CZ PHE A 124 6.535 -0.062 -13.009 1.00 0.00 C ATOM 0 H PHE A 124 2.700 -2.625 -7.547 1.00 0.00 H new ATOM 0 HA PHE A 124 5.142 -1.792 -8.691 1.00 0.00 H new ATOM 0 HB2 PHE A 124 4.153 -3.335 -10.523 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.911 -2.115 -10.724 1.00 0.00 H new ATOM 0 HD1 PHE A 124 3.564 0.204 -11.441 1.00 0.00 H new ATOM 0 HD2 PHE A 124 6.346 -3.022 -11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 124 5.051 1.474 -12.931 1.00 0.00 H new ATOM 0 HE2 PHE A 124 7.833 -1.757 -12.901 1.00 0.00 H new ATOM 0 HZ PHE A 124 7.189 0.495 -13.664 1.00 0.00 H new ATOM 1934 N VAL A 125 4.137 0.538 -8.948 1.00 0.00 N ATOM 1935 CA VAL A 125 3.609 1.882 -8.749 1.00 0.00 C ATOM 1936 C VAL A 125 4.055 2.816 -9.870 1.00 0.00 C ATOM 1937 O VAL A 125 5.248 3.055 -10.056 1.00 0.00 O ATOM 1938 CB VAL A 125 4.055 2.466 -7.393 1.00 0.00 C ATOM 1939 CG1 VAL A 125 5.569 2.616 -7.344 1.00 0.00 C ATOM 1940 CG2 VAL A 125 3.367 3.799 -7.130 1.00 0.00 C ATOM 0 H VAL A 125 5.094 0.509 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 125 2.522 1.803 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 125 3.759 1.772 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.863 3.030 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.036 1.640 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.894 3.286 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.695 4.194 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.626 4.504 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.287 3.654 -7.113 1.00 0.00 H new ATOM 1950 N ASP A 126 3.088 3.341 -10.615 1.00 0.00 N ATOM 1951 CA ASP A 126 3.381 4.249 -11.719 1.00 0.00 C ATOM 1952 C ASP A 126 2.643 5.573 -11.548 1.00 0.00 C ATOM 1953 O ASP A 126 1.726 5.683 -10.735 1.00 0.00 O ATOM 1954 CB ASP A 126 2.991 3.605 -13.052 1.00 0.00 C ATOM 1955 CG ASP A 126 4.038 3.822 -14.126 1.00 0.00 C ATOM 1956 OD1 ASP A 126 5.228 3.549 -13.860 1.00 0.00 O ATOM 1957 OD2 ASP A 126 3.670 4.265 -15.234 1.00 0.00 O ATOM 0 H ASP A 126 2.095 3.154 -10.475 1.00 0.00 H new ATOM 0 HA ASP A 126 4.453 4.449 -11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 126 2.841 2.535 -12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 126 2.039 4.018 -13.387 1.00 0.00 H new ATOM 1962 N SER A 127 3.050 6.575 -12.320 1.00 0.00 N ATOM 1963 CA SER A 127 2.427 7.891 -12.255 1.00 0.00 C ATOM 1964 C SER A 127 0.997 7.841 -12.783 1.00 0.00 C ATOM 1965 O SER A 127 0.770 7.587 -13.967 1.00 0.00 O ATOM 1966 CB SER A 127 3.245 8.908 -13.054 1.00 0.00 C ATOM 1967 OG SER A 127 3.267 8.575 -14.431 1.00 0.00 O ATOM 0 H SER A 127 3.809 6.500 -12.998 1.00 0.00 H new ATOM 0 HA SER A 127 2.399 8.201 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.821 9.904 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.264 8.943 -12.669 1.00 0.00 H new ATOM 0 HG SER A 127 2.412 8.169 -14.683 1.00 0.00 H new