USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 736 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 100 HIS : no HE2:sc= 0 X(o=-0.16,f=-0.0077) USER MOD Set 1.2: A 102 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.0077) USER MOD Set 2.1: A 2 GLN : amide:sc= -2.26 K(o=-2.4,f=-3.4!) USER MOD Set 2.2: A 4 ASN : amide:sc= -0.109 X(o=-2.4,f=-2.5) USER MOD Single : A 1 ALA N :NH3+ 172:sc= -0.0119 (180deg=-0.08) USER MOD Single : A 9 SER OG : rot 68:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.889 K(o=0.89,f=-0.043) USER MOD Single : A 16 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.6!) USER MOD Single : A 17 TYR OH : rot -110:sc= -0.919 USER MOD Single : A 20 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-3.2!) USER MOD Single : A 21 SER OG : rot -142:sc= -0.845! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.9!) USER MOD Single : A 37 SER OG : rot 42:sc= 1.08 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.011) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.36) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0046 USER MOD Single : A 60 GLN : amide:sc= -2.98 K(o=-3,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= 0.39 (180deg=-0.167) USER MOD Single : A 66 ASN : amide:sc= -0.714 K(o=-0.71,f=-0.16) USER MOD Single : A 67 ASN : amide:sc= -0.914 K(o=-0.91,f=-0.12) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 70 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -61:sc= 0.881 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0305 X(o=-0.03,f=-0.0074) USER MOD Single : A 103 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.027) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.075 0.089 -0.248 1.00 0.00 N ATOM 2 CA ALA A 1 2.074 0.060 -1.310 1.00 0.00 C ATOM 3 C ALA A 1 2.263 -1.355 -1.847 1.00 0.00 C ATOM 4 O ALA A 1 3.102 -2.108 -1.354 1.00 0.00 O ATOM 5 CB ALA A 1 3.397 0.616 -0.805 1.00 0.00 C ATOM 0 H1 ALA A 1 1.062 1.032 0.191 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.138 -0.119 -0.647 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.312 -0.625 0.471 1.00 0.00 H new ATOM 0 HA ALA A 1 1.718 0.686 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.134 0.588 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.257 1.646 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.750 0.013 0.032 1.00 0.00 H new ATOM 11 N GLN A 2 1.476 -1.709 -2.858 1.00 0.00 N ATOM 12 CA GLN A 2 1.557 -3.034 -3.460 1.00 0.00 C ATOM 13 C GLN A 2 2.994 -3.373 -3.841 1.00 0.00 C ATOM 14 O GLN A 2 3.621 -2.666 -4.631 1.00 0.00 O ATOM 15 CB GLN A 2 0.658 -3.112 -4.695 1.00 0.00 C ATOM 16 CG GLN A 2 0.803 -4.411 -5.472 1.00 0.00 C ATOM 17 CD GLN A 2 0.301 -5.614 -4.698 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.743 -5.556 -4.048 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.043 -6.713 -4.765 1.00 0.00 N ATOM 0 H GLN A 2 0.776 -1.097 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 2 1.215 -3.761 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.381 -2.997 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.888 -2.276 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.253 -4.332 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.852 -4.561 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.901 -6.716 -5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.755 -7.554 -4.265 1.00 0.00 H new ATOM 28 N VAL A 3 3.512 -4.458 -3.275 1.00 0.00 N ATOM 29 CA VAL A 3 4.876 -4.890 -3.555 1.00 0.00 C ATOM 30 C VAL A 3 4.923 -6.377 -3.890 1.00 0.00 C ATOM 31 O VAL A 3 4.547 -7.219 -3.075 1.00 0.00 O ATOM 32 CB VAL A 3 5.809 -4.614 -2.362 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.231 -5.051 -2.683 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.768 -3.141 -1.984 1.00 0.00 C ATOM 0 H VAL A 3 3.007 -5.054 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 3 5.220 -4.315 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 3 5.460 -5.195 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.876 -4.848 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.243 -6.119 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.594 -4.500 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.433 -2.964 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.091 -2.538 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.750 -2.864 -1.709 1.00 0.00 H new ATOM 44 N ASN A 4 5.389 -6.693 -5.094 1.00 0.00 N ATOM 45 CA ASN A 4 5.486 -8.079 -5.536 1.00 0.00 C ATOM 46 C ASN A 4 6.935 -8.458 -5.825 1.00 0.00 C ATOM 47 O ASN A 4 7.565 -7.904 -6.727 1.00 0.00 O ATOM 48 CB ASN A 4 4.631 -8.298 -6.787 1.00 0.00 C ATOM 49 CG ASN A 4 4.624 -7.087 -7.701 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.856 -6.147 -7.498 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.482 -7.106 -8.714 1.00 0.00 N ATOM 0 H ASN A 4 5.705 -6.008 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 4 5.115 -8.717 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.008 -9.161 -7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.609 -8.531 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.523 -6.320 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.100 -7.907 -8.844 1.00 0.00 H new ATOM 58 N ILE A 5 7.458 -9.405 -5.053 1.00 0.00 N ATOM 59 CA ILE A 5 8.832 -9.859 -5.227 1.00 0.00 C ATOM 60 C ILE A 5 8.897 -11.378 -5.355 1.00 0.00 C ATOM 61 O ILE A 5 8.235 -12.102 -4.614 1.00 0.00 O ATOM 62 CB ILE A 5 9.724 -9.417 -4.052 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.648 -7.899 -3.869 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.162 -9.856 -4.284 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.079 -7.434 -2.496 1.00 0.00 C ATOM 0 H ILE A 5 6.951 -9.872 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 5 9.201 -9.402 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 5 9.362 -9.893 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.275 -7.419 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.625 -7.570 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.780 -9.536 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.201 -10.942 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.536 -9.405 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.000 -6.348 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.436 -7.886 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.112 -7.732 -2.319 1.00 0.00 H new ATOM 77 N ALA A 6 9.701 -11.852 -6.301 1.00 0.00 N ATOM 78 CA ALA A 6 9.856 -13.284 -6.525 1.00 0.00 C ATOM 79 C ALA A 6 10.955 -13.862 -5.640 1.00 0.00 C ATOM 80 O ALA A 6 12.063 -13.331 -5.558 1.00 0.00 O ATOM 81 CB ALA A 6 10.157 -13.559 -7.991 1.00 0.00 C ATOM 0 H ALA A 6 10.255 -11.265 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 6 8.918 -13.772 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.270 -14.632 -8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.337 -13.189 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.080 -13.053 -8.274 1.00 0.00 H new ATOM 87 N PRO A 7 10.643 -14.975 -4.960 1.00 0.00 N ATOM 88 CA PRO A 7 11.591 -15.649 -4.068 1.00 0.00 C ATOM 89 C PRO A 7 12.731 -16.316 -4.831 1.00 0.00 C ATOM 90 O PRO A 7 12.949 -16.038 -6.009 1.00 0.00 O ATOM 91 CB PRO A 7 10.730 -16.702 -3.365 1.00 0.00 C ATOM 92 CG PRO A 7 9.609 -16.966 -4.309 1.00 0.00 C ATOM 93 CD PRO A 7 9.342 -15.662 -5.010 1.00 0.00 C ATOM 0 HA PRO A 7 12.076 -14.951 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.300 -17.609 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.362 -16.337 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.875 -17.745 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.723 -17.311 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.009 -15.818 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.564 -15.087 -4.507 1.00 0.00 H new ATOM 101 N GLY A 8 13.455 -17.200 -4.150 1.00 0.00 N ATOM 102 CA GLY A 8 14.564 -17.893 -4.780 1.00 0.00 C ATOM 103 C GLY A 8 15.909 -17.316 -4.385 1.00 0.00 C ATOM 104 O GLY A 8 16.948 -17.745 -4.887 1.00 0.00 O ATOM 0 H GLY A 8 13.293 -17.448 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.531 -18.948 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.453 -17.840 -5.863 1.00 0.00 H new ATOM 108 N SER A 9 15.890 -16.339 -3.484 1.00 0.00 N ATOM 109 CA SER A 9 17.117 -15.698 -3.025 1.00 0.00 C ATOM 110 C SER A 9 16.811 -14.605 -2.006 1.00 0.00 C ATOM 111 O SER A 9 16.056 -13.673 -2.285 1.00 0.00 O ATOM 112 CB SER A 9 17.882 -15.106 -4.210 1.00 0.00 C ATOM 113 OG SER A 9 18.869 -16.007 -4.681 1.00 0.00 O ATOM 0 H SER A 9 15.038 -15.974 -3.057 1.00 0.00 H new ATOM 0 HA SER A 9 17.735 -16.456 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.186 -14.871 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.353 -14.169 -3.912 1.00 0.00 H new ATOM 0 HG SER A 9 18.434 -16.785 -5.088 1.00 0.00 H new ATOM 119 N LEU A 10 17.402 -14.726 -0.822 1.00 0.00 N ATOM 120 CA LEU A 10 17.193 -13.749 0.241 1.00 0.00 C ATOM 121 C LEU A 10 17.804 -12.402 -0.131 1.00 0.00 C ATOM 122 O LEU A 10 17.189 -11.354 0.068 1.00 0.00 O ATOM 123 CB LEU A 10 17.802 -14.254 1.550 1.00 0.00 C ATOM 124 CG LEU A 10 17.467 -13.442 2.802 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.604 -14.302 4.049 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.363 -12.215 2.898 1.00 0.00 C ATOM 0 H LEU A 10 18.030 -15.491 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 10 16.119 -13.616 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.473 -15.281 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.886 -14.280 1.437 1.00 0.00 H new ATOM 0 HG LEU A 10 16.432 -13.107 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.362 -13.707 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.921 -15.149 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.628 -14.667 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.110 -11.649 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.406 -12.529 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.215 -11.587 2.019 1.00 0.00 H new ATOM 138 N ASP A 11 19.016 -12.437 -0.674 1.00 0.00 N ATOM 139 CA ASP A 11 19.708 -11.219 -1.078 1.00 0.00 C ATOM 140 C ASP A 11 18.918 -10.474 -2.149 1.00 0.00 C ATOM 141 O ASP A 11 18.837 -9.245 -2.135 1.00 0.00 O ATOM 142 CB ASP A 11 21.108 -11.550 -1.597 1.00 0.00 C ATOM 143 CG ASP A 11 21.074 -12.279 -2.927 1.00 0.00 C ATOM 144 OD1 ASP A 11 20.948 -13.521 -2.919 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.176 -11.606 -3.975 1.00 0.00 O ATOM 0 H ASP A 11 19.539 -13.296 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 11 19.796 -10.574 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.680 -10.628 -1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.629 -12.164 -0.862 1.00 0.00 H new ATOM 150 N LYS A 12 18.337 -11.225 -3.078 1.00 0.00 N ATOM 151 CA LYS A 12 17.552 -10.638 -4.158 1.00 0.00 C ATOM 152 C LYS A 12 16.344 -9.887 -3.606 1.00 0.00 C ATOM 153 O LYS A 12 16.167 -8.698 -3.870 1.00 0.00 O ATOM 154 CB LYS A 12 17.091 -11.725 -5.131 1.00 0.00 C ATOM 155 CG LYS A 12 17.981 -11.866 -6.353 1.00 0.00 C ATOM 156 CD LYS A 12 17.366 -11.199 -7.571 1.00 0.00 C ATOM 157 CE LYS A 12 17.824 -9.755 -7.707 1.00 0.00 C ATOM 158 NZ LYS A 12 18.159 -9.409 -9.116 1.00 0.00 N ATOM 0 H LYS A 12 18.395 -12.243 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 12 18.186 -9.929 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.056 -12.679 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.075 -11.502 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.955 -11.423 -6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.149 -12.923 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.639 -11.754 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.279 -11.231 -7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.039 -9.090 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.697 -9.590 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.467 -8.417 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.925 -10.026 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.319 -9.542 -9.715 1.00 0.00 H new ATOM 172 N ALA A 13 15.516 -10.590 -2.840 1.00 0.00 N ATOM 173 CA ALA A 13 14.327 -9.989 -2.249 1.00 0.00 C ATOM 174 C ALA A 13 14.693 -8.796 -1.372 1.00 0.00 C ATOM 175 O ALA A 13 13.985 -7.788 -1.350 1.00 0.00 O ATOM 176 CB ALA A 13 13.559 -11.024 -1.441 1.00 0.00 C ATOM 0 H ALA A 13 15.647 -11.576 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 13 13.691 -9.630 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.673 -10.561 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.257 -11.844 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.196 -11.410 -0.645 1.00 0.00 H new ATOM 182 N LEU A 14 15.801 -8.917 -0.650 1.00 0.00 N ATOM 183 CA LEU A 14 16.261 -7.848 0.231 1.00 0.00 C ATOM 184 C LEU A 14 16.386 -6.532 -0.530 1.00 0.00 C ATOM 185 O LEU A 14 15.882 -5.499 -0.090 1.00 0.00 O ATOM 186 CB LEU A 14 17.607 -8.218 0.855 1.00 0.00 C ATOM 187 CG LEU A 14 18.512 -7.048 1.244 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.836 -6.175 2.289 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.851 -7.557 1.756 1.00 0.00 C ATOM 0 H LEU A 14 16.398 -9.744 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 14 15.523 -7.721 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.419 -8.817 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.148 -8.852 0.153 1.00 0.00 H new ATOM 0 HG LEU A 14 18.692 -6.442 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.495 -5.348 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.903 -5.781 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.625 -6.769 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.482 -6.711 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.690 -8.186 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.341 -8.139 0.976 1.00 0.00 H new ATOM 201 N ASN A 15 17.058 -6.578 -1.676 1.00 0.00 N ATOM 202 CA ASN A 15 17.248 -5.389 -2.499 1.00 0.00 C ATOM 203 C ASN A 15 15.939 -4.976 -3.167 1.00 0.00 C ATOM 204 O ASN A 15 15.688 -3.790 -3.381 1.00 0.00 O ATOM 205 CB ASN A 15 18.317 -5.645 -3.563 1.00 0.00 C ATOM 206 CG ASN A 15 19.714 -5.703 -2.975 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.519 -4.792 -3.168 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.008 -6.779 -2.255 1.00 0.00 N ATOM 0 H ASN A 15 17.480 -7.426 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 15 17.577 -4.577 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.101 -6.584 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.274 -4.857 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.933 -6.875 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.309 -7.510 -2.121 1.00 0.00 H new ATOM 215 N GLN A 16 15.110 -5.963 -3.493 1.00 0.00 N ATOM 216 CA GLN A 16 13.828 -5.701 -4.136 1.00 0.00 C ATOM 217 C GLN A 16 12.943 -4.829 -3.252 1.00 0.00 C ATOM 218 O GLN A 16 12.484 -3.766 -3.671 1.00 0.00 O ATOM 219 CB GLN A 16 13.115 -7.017 -4.452 1.00 0.00 C ATOM 220 CG GLN A 16 13.872 -7.899 -5.431 1.00 0.00 C ATOM 221 CD GLN A 16 13.253 -7.901 -6.815 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.439 -7.037 -7.144 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.635 -8.873 -7.634 1.00 0.00 N ATOM 0 H GLN A 16 15.303 -6.950 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 16 14.019 -5.166 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.960 -7.568 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.129 -6.797 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.904 -7.556 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.900 -8.919 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.312 -9.568 -7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.251 -8.925 -8.578 1.00 0.00 H new ATOM 232 N TYR A 17 12.707 -5.285 -2.026 1.00 0.00 N ATOM 233 CA TYR A 17 11.875 -4.548 -1.084 1.00 0.00 C ATOM 234 C TYR A 17 12.585 -3.287 -0.600 1.00 0.00 C ATOM 235 O TYR A 17 11.959 -2.245 -0.404 1.00 0.00 O ATOM 236 CB TYR A 17 11.513 -5.433 0.110 1.00 0.00 C ATOM 237 CG TYR A 17 12.442 -5.265 1.292 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.186 -4.315 2.273 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.576 -6.057 1.427 1.00 0.00 C ATOM 240 CE1 TYR A 17 13.032 -4.158 3.353 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.427 -5.907 2.505 1.00 0.00 C ATOM 242 CZ TYR A 17 14.151 -4.957 3.465 1.00 0.00 C ATOM 243 OH TYR A 17 14.996 -4.804 4.540 1.00 0.00 O ATOM 0 H TYR A 17 13.081 -6.162 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 17 10.961 -4.253 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.494 -5.206 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.524 -6.476 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.310 -3.689 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.796 -6.802 0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.819 -3.414 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.304 -6.531 2.595 1.00 0.00 H new ATOM 0 HH TYR A 17 15.843 -4.415 4.237 1.00 0.00 H new ATOM 253 N ALA A 18 13.896 -3.390 -0.410 1.00 0.00 N ATOM 254 CA ALA A 18 14.693 -2.259 0.048 1.00 0.00 C ATOM 255 C ALA A 18 14.645 -1.112 -0.956 1.00 0.00 C ATOM 256 O ALA A 18 14.715 0.058 -0.580 1.00 0.00 O ATOM 257 CB ALA A 18 16.132 -2.691 0.290 1.00 0.00 C ATOM 0 H ALA A 18 14.429 -4.246 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 18 14.269 -1.904 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.716 -1.836 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.154 -3.473 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.558 -3.074 -0.637 1.00 0.00 H new ATOM 263 N ALA A 19 14.526 -1.455 -2.234 1.00 0.00 N ATOM 264 CA ALA A 19 14.468 -0.453 -3.292 1.00 0.00 C ATOM 265 C ALA A 19 13.082 0.179 -3.374 1.00 0.00 C ATOM 266 O ALA A 19 12.938 1.331 -3.783 1.00 0.00 O ATOM 267 CB ALA A 19 14.847 -1.073 -4.628 1.00 0.00 C ATOM 0 H ALA A 19 14.468 -2.419 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 19 15.184 0.333 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.799 -0.313 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.860 -1.471 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.153 -1.880 -4.864 1.00 0.00 H new ATOM 273 N HIS A 20 12.066 -0.583 -2.983 1.00 0.00 N ATOM 274 CA HIS A 20 10.691 -0.097 -3.012 1.00 0.00 C ATOM 275 C HIS A 20 10.423 0.845 -1.843 1.00 0.00 C ATOM 276 O HIS A 20 9.550 1.711 -1.918 1.00 0.00 O ATOM 277 CB HIS A 20 9.712 -1.271 -2.971 1.00 0.00 C ATOM 278 CG HIS A 20 8.954 -1.374 -1.683 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.893 -0.551 -1.367 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.107 -2.211 -0.631 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.428 -0.877 -0.174 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.146 -1.881 0.294 1.00 0.00 N ATOM 0 H HIS A 20 12.169 -1.539 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 20 10.546 0.455 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.003 -1.171 -3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.262 -2.198 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.846 -2.992 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.601 -0.402 0.333 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.010 -2.338 1.196 1.00 0.00 H new ATOM 290 N SER A 21 11.178 0.671 -0.763 1.00 0.00 N ATOM 291 CA SER A 21 11.018 1.503 0.424 1.00 0.00 C ATOM 292 C SER A 21 11.869 2.765 0.321 1.00 0.00 C ATOM 293 O SER A 21 11.349 3.880 0.335 1.00 0.00 O ATOM 294 CB SER A 21 11.403 0.716 1.679 1.00 0.00 C ATOM 295 OG SER A 21 11.487 1.568 2.809 1.00 0.00 O ATOM 0 H SER A 21 11.907 -0.039 -0.685 1.00 0.00 H new ATOM 0 HA SER A 21 9.971 1.796 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.666 -0.065 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.361 0.220 1.522 1.00 0.00 H new ATOM 0 HG SER A 21 12.231 1.282 3.379 1.00 0.00 H new ATOM 301 N GLY A 22 13.181 2.580 0.217 1.00 0.00 N ATOM 302 CA GLY A 22 14.084 3.712 0.113 1.00 0.00 C ATOM 303 C GLY A 22 14.948 3.879 1.347 1.00 0.00 C ATOM 304 O GLY A 22 15.454 4.969 1.617 1.00 0.00 O ATOM 0 H GLY A 22 13.635 1.667 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.724 3.584 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.505 4.621 -0.047 1.00 0.00 H new ATOM 308 N PHE A 23 15.118 2.797 2.100 1.00 0.00 N ATOM 309 CA PHE A 23 15.926 2.830 3.314 1.00 0.00 C ATOM 310 C PHE A 23 17.079 1.834 3.227 1.00 0.00 C ATOM 311 O PHE A 23 17.141 1.016 2.308 1.00 0.00 O ATOM 312 CB PHE A 23 15.059 2.518 4.536 1.00 0.00 C ATOM 313 CG PHE A 23 14.835 1.049 4.753 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.094 0.307 3.847 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.365 0.410 5.862 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.885 -1.045 4.045 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.159 -0.942 6.065 1.00 0.00 C ATOM 318 CZ PHE A 23 14.420 -1.670 5.154 1.00 0.00 C ATOM 0 H PHE A 23 14.707 1.887 1.891 1.00 0.00 H new ATOM 0 HA PHE A 23 16.342 3.832 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.530 2.940 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.094 3.012 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.675 0.790 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.946 0.975 6.576 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.304 -1.612 3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.576 -1.428 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.261 -2.727 5.309 1.00 0.00 H new ATOM 328 N THR A 24 17.992 1.910 4.189 1.00 0.00 N ATOM 329 CA THR A 24 19.145 1.018 4.222 1.00 0.00 C ATOM 330 C THR A 24 18.980 -0.053 5.293 1.00 0.00 C ATOM 331 O THR A 24 18.297 0.156 6.296 1.00 0.00 O ATOM 332 CB THR A 24 20.449 1.795 4.484 1.00 0.00 C ATOM 333 OG1 THR A 24 20.511 2.949 3.638 1.00 0.00 O ATOM 334 CG2 THR A 24 21.663 0.913 4.237 1.00 0.00 C ATOM 0 H THR A 24 17.956 2.581 4.957 1.00 0.00 H new ATOM 0 HA THR A 24 19.205 0.542 3.243 1.00 0.00 H new ATOM 0 HB THR A 24 20.455 2.110 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.342 3.438 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.572 1.483 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.628 0.051 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.660 0.572 3.202 1.00 0.00 H new ATOM 342 N LEU A 25 19.611 -1.202 5.076 1.00 0.00 N ATOM 343 CA LEU A 25 19.536 -2.308 6.024 1.00 0.00 C ATOM 344 C LEU A 25 20.898 -2.972 6.196 1.00 0.00 C ATOM 345 O LEU A 25 21.587 -3.261 5.217 1.00 0.00 O ATOM 346 CB LEU A 25 18.508 -3.339 5.555 1.00 0.00 C ATOM 347 CG LEU A 25 18.247 -4.508 6.506 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.937 -4.307 7.251 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.232 -5.824 5.742 1.00 0.00 C ATOM 0 H LEU A 25 20.181 -1.392 4.251 1.00 0.00 H new ATOM 0 HA LEU A 25 19.225 -1.907 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.564 -2.825 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.838 -3.742 4.598 1.00 0.00 H new ATOM 0 HG LEU A 25 19.055 -4.545 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.768 -5.148 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.985 -3.385 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.117 -4.244 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.045 -6.645 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.445 -5.798 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.196 -5.973 5.255 1.00 0.00 H new ATOM 361 N SER A 26 21.280 -3.214 7.446 1.00 0.00 N ATOM 362 CA SER A 26 22.560 -3.843 7.746 1.00 0.00 C ATOM 363 C SER A 26 22.359 -5.146 8.514 1.00 0.00 C ATOM 364 O SER A 26 22.079 -5.136 9.713 1.00 0.00 O ATOM 365 CB SER A 26 23.443 -2.892 8.556 1.00 0.00 C ATOM 366 OG SER A 26 24.510 -2.392 7.769 1.00 0.00 O ATOM 0 H SER A 26 20.721 -2.984 8.267 1.00 0.00 H new ATOM 0 HA SER A 26 23.054 -4.071 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.843 -2.062 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.842 -3.413 9.426 1.00 0.00 H new ATOM 0 HG SER A 26 25.058 -1.785 8.309 1.00 0.00 H new ATOM 372 N VAL A 27 22.503 -6.267 7.815 1.00 0.00 N ATOM 373 CA VAL A 27 22.338 -7.579 8.430 1.00 0.00 C ATOM 374 C VAL A 27 23.494 -8.504 8.068 1.00 0.00 C ATOM 375 O VAL A 27 23.946 -8.532 6.924 1.00 0.00 O ATOM 376 CB VAL A 27 21.014 -8.238 8.000 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.849 -8.169 6.489 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.953 -9.678 8.486 1.00 0.00 C ATOM 0 H VAL A 27 22.734 -6.293 6.822 1.00 0.00 H new ATOM 0 HA VAL A 27 22.324 -7.424 9.509 1.00 0.00 H new ATOM 0 HB VAL A 27 20.190 -7.689 8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.908 -8.640 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.845 -7.127 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.676 -8.692 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.011 -10.128 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.783 -10.241 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.021 -9.698 9.574 1.00 0.00 H new ATOM 388 N ASP A 28 23.968 -9.261 9.052 1.00 0.00 N ATOM 389 CA ASP A 28 25.072 -10.190 8.838 1.00 0.00 C ATOM 390 C ASP A 28 24.748 -11.169 7.714 1.00 0.00 C ATOM 391 O ASP A 28 24.039 -12.154 7.920 1.00 0.00 O ATOM 392 CB ASP A 28 25.378 -10.956 10.126 1.00 0.00 C ATOM 393 CG ASP A 28 26.269 -10.172 11.068 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.352 -9.731 10.630 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.884 -9.999 12.244 1.00 0.00 O ATOM 0 H ASP A 28 23.605 -9.250 10.005 1.00 0.00 H new ATOM 0 HA ASP A 28 25.950 -9.612 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.443 -11.198 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.860 -11.901 9.877 1.00 0.00 H new ATOM 400 N ALA A 29 25.270 -10.890 6.524 1.00 0.00 N ATOM 401 CA ALA A 29 25.037 -11.746 5.367 1.00 0.00 C ATOM 402 C ALA A 29 25.833 -13.042 5.475 1.00 0.00 C ATOM 403 O ALA A 29 25.656 -13.959 4.673 1.00 0.00 O ATOM 404 CB ALA A 29 25.395 -11.009 4.085 1.00 0.00 C ATOM 0 H ALA A 29 25.857 -10.078 6.336 1.00 0.00 H new ATOM 0 HA ALA A 29 23.978 -12.002 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.216 -11.660 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.779 -10.114 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 29 26.447 -10.724 4.111 1.00 0.00 H new ATOM 410 N SER A 30 26.711 -13.112 6.471 1.00 0.00 N ATOM 411 CA SER A 30 27.537 -14.294 6.680 1.00 0.00 C ATOM 412 C SER A 30 26.681 -15.557 6.711 1.00 0.00 C ATOM 413 O SER A 30 26.991 -16.548 6.049 1.00 0.00 O ATOM 414 CB SER A 30 28.326 -14.167 7.985 1.00 0.00 C ATOM 415 OG SER A 30 28.722 -15.439 8.468 1.00 0.00 O ATOM 0 H SER A 30 26.868 -12.363 7.146 1.00 0.00 H new ATOM 0 HA SER A 30 28.236 -14.370 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.207 -13.546 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 30 27.716 -13.664 8.735 1.00 0.00 H new ATOM 0 HG SER A 30 29.226 -15.330 9.302 1.00 0.00 H new ATOM 421 N LEU A 31 25.603 -15.514 7.486 1.00 0.00 N ATOM 422 CA LEU A 31 24.700 -16.653 7.605 1.00 0.00 C ATOM 423 C LEU A 31 23.701 -16.679 6.453 1.00 0.00 C ATOM 424 O LEU A 31 23.332 -17.745 5.959 1.00 0.00 O ATOM 425 CB LEU A 31 23.955 -16.602 8.940 1.00 0.00 C ATOM 426 CG LEU A 31 24.751 -16.070 10.132 1.00 0.00 C ATOM 427 CD1 LEU A 31 24.460 -14.593 10.352 1.00 0.00 C ATOM 428 CD2 LEU A 31 24.433 -16.871 11.386 1.00 0.00 C ATOM 0 H LEU A 31 25.333 -14.702 8.042 1.00 0.00 H new ATOM 0 HA LEU A 31 25.297 -17.564 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.068 -15.981 8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.609 -17.608 9.179 1.00 0.00 H new ATOM 0 HG LEU A 31 25.813 -16.181 9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.035 -14.232 11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.739 -14.030 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.396 -14.457 10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.009 -16.478 12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.369 -16.792 11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.694 -17.917 11.225 1.00 0.00 H new ATOM 440 N THR A 32 23.266 -15.497 6.027 1.00 0.00 N ATOM 441 CA THR A 32 22.310 -15.383 4.932 1.00 0.00 C ATOM 442 C THR A 32 22.822 -16.085 3.680 1.00 0.00 C ATOM 443 O THR A 32 22.046 -16.670 2.923 1.00 0.00 O ATOM 444 CB THR A 32 22.014 -13.909 4.596 1.00 0.00 C ATOM 445 OG1 THR A 32 21.410 -13.262 5.721 1.00 0.00 O ATOM 446 CG2 THR A 32 21.093 -13.804 3.390 1.00 0.00 C ATOM 0 H THR A 32 23.561 -14.605 6.424 1.00 0.00 H new ATOM 0 HA THR A 32 21.390 -15.864 5.264 1.00 0.00 H new ATOM 0 HB THR A 32 22.957 -13.417 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 32 21.227 -12.325 5.500 1.00 0.00 H new ATOM 0 HG21 THR A 32 20.898 -12.754 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 32 21.568 -14.272 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 32 20.152 -14.311 3.605 1.00 0.00 H new ATOM 454 N ARG A 33 24.133 -16.025 3.467 1.00 0.00 N ATOM 455 CA ARG A 33 24.748 -16.655 2.305 1.00 0.00 C ATOM 456 C ARG A 33 24.418 -18.144 2.256 1.00 0.00 C ATOM 457 O ARG A 33 25.034 -18.949 2.954 1.00 0.00 O ATOM 458 CB ARG A 33 26.264 -16.458 2.335 1.00 0.00 C ATOM 459 CG ARG A 33 26.723 -15.162 1.686 1.00 0.00 C ATOM 460 CD ARG A 33 26.580 -15.216 0.173 1.00 0.00 C ATOM 461 NE ARG A 33 27.791 -15.714 -0.474 1.00 0.00 N ATOM 462 CZ ARG A 33 27.864 -16.016 -1.766 1.00 0.00 C ATOM 463 NH1 ARG A 33 26.801 -15.870 -2.545 1.00 0.00 N ATOM 464 NH2 ARG A 33 29.002 -16.464 -2.281 1.00 0.00 N ATOM 0 H ARG A 33 24.789 -15.547 4.084 1.00 0.00 H new ATOM 0 HA ARG A 33 24.345 -16.182 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 33 26.604 -16.476 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.741 -17.297 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.138 -14.330 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.764 -14.971 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.739 -15.858 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.350 -14.220 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 33 28.627 -15.837 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 33 25.925 -15.525 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 33 26.859 -16.102 -3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.822 -16.577 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 33 29.057 -16.695 -3.273 1.00 0.00 H new ATOM 478 N GLY A 34 23.443 -18.502 1.427 1.00 0.00 N ATOM 479 CA GLY A 34 23.048 -19.894 1.303 1.00 0.00 C ATOM 480 C GLY A 34 21.594 -20.119 1.668 1.00 0.00 C ATOM 481 O GLY A 34 21.107 -21.249 1.642 1.00 0.00 O ATOM 0 H GLY A 34 22.919 -17.854 0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.218 -20.227 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.680 -20.506 1.946 1.00 0.00 H new ATOM 485 N LYS A 35 20.899 -19.040 2.013 1.00 0.00 N ATOM 486 CA LYS A 35 19.492 -19.124 2.386 1.00 0.00 C ATOM 487 C LYS A 35 18.639 -18.222 1.498 1.00 0.00 C ATOM 488 O LYS A 35 19.145 -17.281 0.888 1.00 0.00 O ATOM 489 CB LYS A 35 19.308 -18.733 3.854 1.00 0.00 C ATOM 490 CG LYS A 35 19.375 -19.911 4.810 1.00 0.00 C ATOM 491 CD LYS A 35 19.314 -19.457 6.259 1.00 0.00 C ATOM 492 CE LYS A 35 20.593 -18.748 6.676 1.00 0.00 C ATOM 493 NZ LYS A 35 21.374 -19.547 7.660 1.00 0.00 N ATOM 0 H LYS A 35 21.287 -18.097 2.042 1.00 0.00 H new ATOM 0 HA LYS A 35 19.166 -20.155 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.076 -18.010 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.345 -18.235 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.550 -20.593 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.297 -20.467 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.465 -18.788 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.148 -20.319 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.206 -18.557 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.346 -17.779 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.238 -19.030 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.799 -19.708 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.632 -20.462 7.238 1.00 0.00 H new ATOM 507 N GLN A 36 17.345 -18.516 1.434 1.00 0.00 N ATOM 508 CA GLN A 36 16.423 -17.731 0.622 1.00 0.00 C ATOM 509 C GLN A 36 15.384 -17.036 1.495 1.00 0.00 C ATOM 510 O GLN A 36 15.374 -17.201 2.715 1.00 0.00 O ATOM 511 CB GLN A 36 15.727 -18.625 -0.406 1.00 0.00 C ATOM 512 CG GLN A 36 16.657 -19.145 -1.490 1.00 0.00 C ATOM 513 CD GLN A 36 17.190 -20.531 -1.186 1.00 0.00 C ATOM 514 OE1 GLN A 36 16.546 -21.318 -0.492 1.00 0.00 O ATOM 515 NE2 GLN A 36 18.373 -20.838 -1.706 1.00 0.00 N ATOM 0 H GLN A 36 16.911 -19.292 1.934 1.00 0.00 H new ATOM 0 HA GLN A 36 16.999 -16.968 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.274 -19.472 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.916 -18.065 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.125 -19.165 -2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.493 -18.456 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.872 -20.155 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.782 -21.757 -1.536 1.00 0.00 H new ATOM 524 N SER A 37 14.511 -16.258 0.863 1.00 0.00 N ATOM 525 CA SER A 37 13.470 -15.534 1.583 1.00 0.00 C ATOM 526 C SER A 37 12.143 -15.601 0.833 1.00 0.00 C ATOM 527 O SER A 37 12.115 -15.723 -0.391 1.00 0.00 O ATOM 528 CB SER A 37 13.881 -14.075 1.786 1.00 0.00 C ATOM 529 OG SER A 37 12.802 -13.305 2.286 1.00 0.00 O ATOM 0 H SER A 37 14.504 -16.113 -0.147 1.00 0.00 H new ATOM 0 HA SER A 37 13.341 -16.006 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.720 -14.024 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.223 -13.656 0.840 1.00 0.00 H new ATOM 0 HG SER A 37 12.329 -13.815 2.976 1.00 0.00 H new ATOM 535 N ASN A 38 11.045 -15.521 1.578 1.00 0.00 N ATOM 536 CA ASN A 38 9.714 -15.573 0.984 1.00 0.00 C ATOM 537 C ASN A 38 9.362 -14.246 0.320 1.00 0.00 C ATOM 538 O ASN A 38 9.303 -13.207 0.977 1.00 0.00 O ATOM 539 CB ASN A 38 8.671 -15.915 2.050 1.00 0.00 C ATOM 540 CG ASN A 38 8.732 -17.370 2.473 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.029 -18.218 1.924 1.00 0.00 O ATOM 542 ND2 ASN A 38 9.577 -17.666 3.455 1.00 0.00 N ATOM 0 H ASN A 38 11.051 -15.420 2.593 1.00 0.00 H new ATOM 0 HA ASN A 38 9.714 -16.352 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.825 -15.279 2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.676 -15.693 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.662 -18.628 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.141 -16.931 3.882 1.00 0.00 H new ATOM 549 N GLY A 39 9.129 -14.288 -0.988 1.00 0.00 N ATOM 550 CA GLY A 39 8.786 -13.083 -1.720 1.00 0.00 C ATOM 551 C GLY A 39 7.614 -12.345 -1.104 1.00 0.00 C ATOM 552 O GLY A 39 6.973 -12.845 -0.179 1.00 0.00 O ATOM 0 H GLY A 39 9.172 -15.135 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.652 -12.422 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.546 -13.344 -2.751 1.00 0.00 H new ATOM 556 N LEU A 40 7.334 -11.151 -1.615 1.00 0.00 N ATOM 557 CA LEU A 40 6.232 -10.341 -1.108 1.00 0.00 C ATOM 558 C LEU A 40 5.092 -10.278 -2.119 1.00 0.00 C ATOM 559 O LEU A 40 5.300 -10.464 -3.318 1.00 0.00 O ATOM 560 CB LEU A 40 6.720 -8.927 -0.784 1.00 0.00 C ATOM 561 CG LEU A 40 5.785 -8.076 0.076 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.460 -8.790 1.379 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.407 -6.715 0.353 1.00 0.00 C ATOM 0 H LEU A 40 7.855 -10.722 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 40 5.859 -10.809 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.681 -9.003 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.897 -8.401 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 40 4.856 -7.924 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.794 -8.169 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.973 -9.740 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.381 -8.973 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.728 -6.123 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.351 -6.847 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.588 -6.199 -0.590 1.00 0.00 H new ATOM 575 N HIS A 41 3.886 -10.013 -1.627 1.00 0.00 N ATOM 576 CA HIS A 41 2.712 -9.923 -2.488 1.00 0.00 C ATOM 577 C HIS A 41 1.578 -9.183 -1.785 1.00 0.00 C ATOM 578 O HIS A 41 0.888 -9.746 -0.936 1.00 0.00 O ATOM 579 CB HIS A 41 2.247 -11.320 -2.900 1.00 0.00 C ATOM 580 CG HIS A 41 1.944 -11.443 -4.362 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.715 -11.840 -4.845 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.718 -11.217 -5.449 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.747 -11.856 -6.165 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.951 -11.481 -6.557 1.00 0.00 N ATOM 0 H HIS A 41 3.696 -9.857 -0.637 1.00 0.00 H new ATOM 0 HA HIS A 41 2.989 -9.363 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.018 -12.044 -2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.356 -11.580 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.747 -10.890 -5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.072 -12.129 -6.814 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.261 -11.401 -7.525 1.00 0.00 H new ATOM 592 N GLY A 42 1.391 -7.916 -2.145 1.00 0.00 N ATOM 593 CA GLY A 42 0.340 -7.120 -1.538 1.00 0.00 C ATOM 594 C GLY A 42 0.837 -5.768 -1.066 1.00 0.00 C ATOM 595 O GLY A 42 2.025 -5.463 -1.173 1.00 0.00 O ATOM 0 H GLY A 42 1.948 -7.427 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.465 -6.977 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.082 -7.664 -0.693 1.00 0.00 H new ATOM 599 N ASP A 43 -0.074 -4.954 -0.544 1.00 0.00 N ATOM 600 CA ASP A 43 0.277 -3.626 -0.055 1.00 0.00 C ATOM 601 C ASP A 43 0.898 -3.706 1.337 1.00 0.00 C ATOM 602 O ASP A 43 0.192 -3.857 2.334 1.00 0.00 O ATOM 603 CB ASP A 43 -0.959 -2.727 -0.024 1.00 0.00 C ATOM 604 CG ASP A 43 -2.127 -3.373 0.695 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.778 -4.255 0.097 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.390 -2.996 1.856 1.00 0.00 O ATOM 0 H ASP A 43 -1.062 -5.191 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 43 1.011 -3.197 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.709 -1.787 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.254 -2.484 -1.045 1.00 0.00 H new ATOM 611 N TYR A 44 2.221 -3.606 1.395 1.00 0.00 N ATOM 612 CA TYR A 44 2.937 -3.671 2.664 1.00 0.00 C ATOM 613 C TYR A 44 4.004 -2.583 2.743 1.00 0.00 C ATOM 614 O TYR A 44 4.830 -2.441 1.841 1.00 0.00 O ATOM 615 CB TYR A 44 3.582 -5.047 2.840 1.00 0.00 C ATOM 616 CG TYR A 44 2.583 -6.181 2.896 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.749 -6.345 3.995 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.473 -7.088 1.849 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.836 -7.380 4.051 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.562 -8.125 1.896 1.00 0.00 C ATOM 621 CZ TYR A 44 0.746 -8.267 2.999 1.00 0.00 C ATOM 622 OH TYR A 44 -0.163 -9.299 3.050 1.00 0.00 O ATOM 0 H TYR A 44 2.819 -3.480 0.579 1.00 0.00 H new ATOM 0 HA TYR A 44 2.218 -3.509 3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.273 -5.223 2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.172 -5.048 3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.816 -5.651 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.111 -6.980 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.196 -7.494 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.489 -8.821 1.073 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.100 -9.832 2.230 1.00 0.00 H new ATOM 632 N ASP A 45 3.980 -1.819 3.829 1.00 0.00 N ATOM 633 CA ASP A 45 4.945 -0.744 4.029 1.00 0.00 C ATOM 634 C ASP A 45 6.362 -1.299 4.137 1.00 0.00 C ATOM 635 O ASP A 45 6.586 -2.497 3.960 1.00 0.00 O ATOM 636 CB ASP A 45 4.599 0.053 5.289 1.00 0.00 C ATOM 637 CG ASP A 45 3.191 0.612 5.251 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.762 1.071 4.171 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.516 0.590 6.302 1.00 0.00 O ATOM 0 H ASP A 45 3.303 -1.924 4.585 1.00 0.00 H new ATOM 0 HA ASP A 45 4.898 -0.082 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.709 -0.589 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.309 0.872 5.404 1.00 0.00 H new ATOM 644 N VAL A 46 7.316 -0.420 4.427 1.00 0.00 N ATOM 645 CA VAL A 46 8.711 -0.822 4.558 1.00 0.00 C ATOM 646 C VAL A 46 8.880 -1.876 5.647 1.00 0.00 C ATOM 647 O VAL A 46 9.549 -2.889 5.445 1.00 0.00 O ATOM 648 CB VAL A 46 9.614 0.383 4.882 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.079 1.144 6.085 1.00 0.00 C ATOM 650 CG2 VAL A 46 11.045 -0.074 5.122 1.00 0.00 C ATOM 0 H VAL A 46 7.148 0.575 4.576 1.00 0.00 H new ATOM 0 HA VAL A 46 9.010 -1.244 3.598 1.00 0.00 H new ATOM 0 HB VAL A 46 9.611 1.058 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.730 1.992 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.073 1.504 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.050 0.482 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.670 0.790 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.069 -0.770 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.423 -0.570 4.228 1.00 0.00 H new ATOM 660 N GLU A 47 8.267 -1.631 6.801 1.00 0.00 N ATOM 661 CA GLU A 47 8.350 -2.560 7.921 1.00 0.00 C ATOM 662 C GLU A 47 7.492 -3.796 7.668 1.00 0.00 C ATOM 663 O GLU A 47 7.965 -4.926 7.779 1.00 0.00 O ATOM 664 CB GLU A 47 7.906 -1.873 9.215 1.00 0.00 C ATOM 665 CG GLU A 47 8.876 -0.810 9.704 1.00 0.00 C ATOM 666 CD GLU A 47 8.245 0.142 10.701 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.635 1.140 10.264 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.360 -0.113 11.918 1.00 0.00 O ATOM 0 H GLU A 47 7.708 -0.798 6.984 1.00 0.00 H new ATOM 0 HA GLU A 47 9.388 -2.875 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.929 -1.416 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.784 -2.627 9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.737 -1.294 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.248 -0.243 8.851 1.00 0.00 H new ATOM 675 N SER A 48 6.226 -3.571 7.329 1.00 0.00 N ATOM 676 CA SER A 48 5.300 -4.665 7.064 1.00 0.00 C ATOM 677 C SER A 48 5.861 -5.608 6.004 1.00 0.00 C ATOM 678 O SER A 48 5.921 -6.821 6.204 1.00 0.00 O ATOM 679 CB SER A 48 3.946 -4.117 6.609 1.00 0.00 C ATOM 680 OG SER A 48 2.994 -4.175 7.658 1.00 0.00 O ATOM 0 H SER A 48 5.819 -2.641 7.232 1.00 0.00 H new ATOM 0 HA SER A 48 5.165 -5.225 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.061 -3.086 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.586 -4.691 5.755 1.00 0.00 H new ATOM 0 HG SER A 48 2.138 -3.818 7.343 1.00 0.00 H new ATOM 686 N GLY A 49 6.273 -5.041 4.874 1.00 0.00 N ATOM 687 CA GLY A 49 6.824 -5.844 3.799 1.00 0.00 C ATOM 688 C GLY A 49 8.121 -6.525 4.190 1.00 0.00 C ATOM 689 O GLY A 49 8.345 -7.689 3.856 1.00 0.00 O ATOM 0 H GLY A 49 6.235 -4.040 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.096 -6.599 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.998 -5.211 2.929 1.00 0.00 H new ATOM 693 N LEU A 50 8.979 -5.798 4.897 1.00 0.00 N ATOM 694 CA LEU A 50 10.262 -6.338 5.332 1.00 0.00 C ATOM 695 C LEU A 50 10.066 -7.582 6.193 1.00 0.00 C ATOM 696 O LEU A 50 10.653 -8.630 5.927 1.00 0.00 O ATOM 697 CB LEU A 50 11.044 -5.281 6.115 1.00 0.00 C ATOM 698 CG LEU A 50 12.051 -5.810 7.136 1.00 0.00 C ATOM 699 CD1 LEU A 50 13.034 -6.762 6.472 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.789 -4.659 7.803 1.00 0.00 C ATOM 0 H LEU A 50 8.809 -4.833 5.181 1.00 0.00 H new ATOM 0 HA LEU A 50 10.829 -6.618 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.576 -4.650 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.331 -4.642 6.636 1.00 0.00 H new ATOM 0 HG LEU A 50 11.506 -6.360 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.743 -7.129 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.491 -7.604 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.573 -6.237 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.502 -5.054 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.322 -4.082 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.073 -4.015 8.314 1.00 0.00 H new ATOM 712 N GLN A 51 9.235 -7.457 7.223 1.00 0.00 N ATOM 713 CA GLN A 51 8.960 -8.573 8.121 1.00 0.00 C ATOM 714 C GLN A 51 8.290 -9.721 7.373 1.00 0.00 C ATOM 715 O GLN A 51 8.375 -10.877 7.788 1.00 0.00 O ATOM 716 CB GLN A 51 8.071 -8.115 9.279 1.00 0.00 C ATOM 717 CG GLN A 51 8.657 -6.961 10.076 1.00 0.00 C ATOM 718 CD GLN A 51 9.323 -7.418 11.360 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.851 -7.119 12.457 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.425 -8.146 11.229 1.00 0.00 N ATOM 0 H GLN A 51 8.741 -6.596 7.456 1.00 0.00 H new ATOM 0 HA GLN A 51 9.910 -8.929 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.100 -7.817 8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.898 -8.957 9.949 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.386 -6.433 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.866 -6.250 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.781 -8.370 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.916 -8.481 12.058 1.00 0.00 H new ATOM 729 N GLN A 52 7.625 -9.394 6.270 1.00 0.00 N ATOM 730 CA GLN A 52 6.940 -10.400 5.466 1.00 0.00 C ATOM 731 C GLN A 52 7.936 -11.213 4.647 1.00 0.00 C ATOM 732 O GLN A 52 7.677 -12.367 4.303 1.00 0.00 O ATOM 733 CB GLN A 52 5.922 -9.734 4.538 1.00 0.00 C ATOM 734 CG GLN A 52 4.477 -10.014 4.918 1.00 0.00 C ATOM 735 CD GLN A 52 4.195 -11.493 5.091 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.895 -11.956 6.192 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.290 -12.245 4.000 1.00 0.00 N ATOM 0 H GLN A 52 7.546 -8.442 5.913 1.00 0.00 H new ATOM 0 HA GLN A 52 6.417 -11.076 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.088 -8.657 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.094 -10.078 3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.242 -9.492 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.818 -9.610 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.541 -11.820 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.111 -13.248 4.055 1.00 0.00 H new ATOM 746 N LEU A 53 9.076 -10.606 4.338 1.00 0.00 N ATOM 747 CA LEU A 53 10.113 -11.274 3.559 1.00 0.00 C ATOM 748 C LEU A 53 10.823 -12.334 4.394 1.00 0.00 C ATOM 749 O LEU A 53 10.877 -13.505 4.015 1.00 0.00 O ATOM 750 CB LEU A 53 11.127 -10.253 3.041 1.00 0.00 C ATOM 751 CG LEU A 53 11.061 -9.941 1.545 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.618 -9.939 1.063 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.726 -8.605 1.249 1.00 0.00 C ATOM 0 H LEU A 53 9.306 -9.652 4.615 1.00 0.00 H new ATOM 0 HA LEU A 53 9.636 -11.765 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.990 -9.323 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.128 -10.616 3.272 1.00 0.00 H new ATOM 0 HG LEU A 53 11.601 -10.720 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.591 -9.715 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.174 -10.919 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.054 -9.182 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.670 -8.399 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.214 -7.814 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.771 -8.643 1.557 1.00 0.00 H new ATOM 765 N LEU A 54 11.366 -11.918 5.533 1.00 0.00 N ATOM 766 CA LEU A 54 12.071 -12.832 6.424 1.00 0.00 C ATOM 767 C LEU A 54 11.089 -13.631 7.274 1.00 0.00 C ATOM 768 O LEU A 54 11.485 -14.513 8.036 1.00 0.00 O ATOM 769 CB LEU A 54 13.031 -12.056 7.328 1.00 0.00 C ATOM 770 CG LEU A 54 12.496 -11.681 8.710 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.057 -11.196 8.612 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.599 -12.864 9.661 1.00 0.00 C ATOM 0 H LEU A 54 11.331 -10.953 5.861 1.00 0.00 H new ATOM 0 HA LEU A 54 12.642 -13.529 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.935 -12.651 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.323 -11.141 6.813 1.00 0.00 H new ATOM 0 HG LEU A 54 13.105 -10.869 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.693 -10.934 9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.012 -10.319 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.434 -11.987 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.214 -12.579 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.015 -13.697 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.642 -13.165 9.756 1.00 0.00 H new ATOM 784 N ASP A 55 9.805 -13.317 7.137 1.00 0.00 N ATOM 785 CA ASP A 55 8.764 -14.008 7.890 1.00 0.00 C ATOM 786 C ASP A 55 8.954 -15.520 7.817 1.00 0.00 C ATOM 787 O ASP A 55 9.211 -16.073 6.749 1.00 0.00 O ATOM 788 CB ASP A 55 7.382 -13.629 7.356 1.00 0.00 C ATOM 789 CG ASP A 55 6.798 -14.697 6.452 1.00 0.00 C ATOM 790 OD1 ASP A 55 7.279 -14.835 5.309 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.858 -15.395 6.889 1.00 0.00 O ATOM 0 H ASP A 55 9.460 -12.589 6.512 1.00 0.00 H new ATOM 0 HA ASP A 55 8.839 -13.700 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.706 -13.457 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.453 -12.691 6.806 1.00 0.00 H new ATOM 796 N GLY A 56 8.827 -16.183 8.963 1.00 0.00 N ATOM 797 CA GLY A 56 8.989 -17.624 9.008 1.00 0.00 C ATOM 798 C GLY A 56 9.746 -18.085 10.238 1.00 0.00 C ATOM 799 O GLY A 56 9.506 -19.178 10.750 1.00 0.00 O ATOM 0 H GLY A 56 8.615 -15.747 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.007 -18.097 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.518 -17.955 8.114 1.00 0.00 H new ATOM 803 N SER A 57 10.665 -17.249 10.712 1.00 0.00 N ATOM 804 CA SER A 57 11.464 -17.579 11.886 1.00 0.00 C ATOM 805 C SER A 57 11.077 -16.699 13.071 1.00 0.00 C ATOM 806 O SER A 57 11.052 -17.154 14.214 1.00 0.00 O ATOM 807 CB SER A 57 12.953 -17.413 11.579 1.00 0.00 C ATOM 808 OG SER A 57 13.195 -16.218 10.856 1.00 0.00 O ATOM 0 H SER A 57 10.874 -16.339 10.301 1.00 0.00 H new ATOM 0 HA SER A 57 11.268 -18.619 12.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.520 -17.400 12.510 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.306 -18.268 11.003 1.00 0.00 H new ATOM 0 HG SER A 57 14.154 -16.134 10.674 1.00 0.00 H new ATOM 814 N GLY A 58 10.774 -15.436 12.789 1.00 0.00 N ATOM 815 CA GLY A 58 10.392 -14.512 13.840 1.00 0.00 C ATOM 816 C GLY A 58 11.589 -13.864 14.507 1.00 0.00 C ATOM 817 O GLY A 58 12.174 -14.428 15.433 1.00 0.00 O ATOM 0 H GLY A 58 10.786 -15.036 11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.749 -13.737 13.422 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.805 -15.042 14.590 1.00 0.00 H new ATOM 821 N LEU A 59 11.958 -12.678 14.035 1.00 0.00 N ATOM 822 CA LEU A 59 13.095 -11.954 14.590 1.00 0.00 C ATOM 823 C LEU A 59 12.717 -10.512 14.916 1.00 0.00 C ATOM 824 O LEU A 59 11.623 -10.058 14.581 1.00 0.00 O ATOM 825 CB LEU A 59 14.268 -11.975 13.608 1.00 0.00 C ATOM 826 CG LEU A 59 15.179 -13.201 13.677 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.871 -14.159 12.536 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.641 -12.782 13.643 1.00 0.00 C ATOM 0 H LEU A 59 11.486 -12.198 13.269 1.00 0.00 H new ATOM 0 HA LEU A 59 13.393 -12.450 15.514 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.870 -11.899 12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.875 -11.086 13.779 1.00 0.00 H new ATOM 0 HG LEU A 59 14.991 -13.717 14.619 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.529 -15.026 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.833 -14.485 12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.030 -13.653 11.583 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.275 -13.668 13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.844 -12.243 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.854 -12.135 14.494 1.00 0.00 H new ATOM 840 N GLN A 60 13.628 -9.800 15.570 1.00 0.00 N ATOM 841 CA GLN A 60 13.389 -8.409 15.939 1.00 0.00 C ATOM 842 C GLN A 60 14.244 -7.468 15.097 1.00 0.00 C ATOM 843 O GLN A 60 15.418 -7.737 14.844 1.00 0.00 O ATOM 844 CB GLN A 60 13.687 -8.196 17.424 1.00 0.00 C ATOM 845 CG GLN A 60 15.172 -8.124 17.743 1.00 0.00 C ATOM 846 CD GLN A 60 15.526 -8.831 19.036 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.247 -8.332 20.127 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.144 -10.001 18.921 1.00 0.00 N ATOM 0 H GLN A 60 14.538 -10.162 15.855 1.00 0.00 H new ATOM 0 HA GLN A 60 12.339 -8.184 15.750 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.208 -7.274 17.753 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.240 -9.009 17.996 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.738 -8.568 16.924 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.475 -7.079 17.810 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.356 -10.377 17.997 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.407 -10.523 19.757 1.00 0.00 H new ATOM 857 N VAL A 61 13.646 -6.362 14.663 1.00 0.00 N ATOM 858 CA VAL A 61 14.352 -5.380 13.850 1.00 0.00 C ATOM 859 C VAL A 61 14.329 -4.004 14.506 1.00 0.00 C ATOM 860 O VAL A 61 13.279 -3.529 14.941 1.00 0.00 O ATOM 861 CB VAL A 61 13.741 -5.275 12.440 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.673 -4.516 11.509 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.435 -6.660 11.888 1.00 0.00 C ATOM 0 H VAL A 61 12.674 -6.125 14.861 1.00 0.00 H new ATOM 0 HA VAL A 61 15.384 -5.722 13.766 1.00 0.00 H new ATOM 0 HB VAL A 61 12.805 -4.721 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.224 -4.452 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.837 -3.511 11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.627 -5.040 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.004 -6.567 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.355 -7.241 11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.726 -7.165 12.544 1.00 0.00 H new ATOM 873 N LYS A 62 15.493 -3.367 14.573 1.00 0.00 N ATOM 874 CA LYS A 62 15.607 -2.044 15.174 1.00 0.00 C ATOM 875 C LYS A 62 16.587 -1.174 14.393 1.00 0.00 C ATOM 876 O LYS A 62 17.625 -1.638 13.920 1.00 0.00 O ATOM 877 CB LYS A 62 16.061 -2.160 16.631 1.00 0.00 C ATOM 878 CG LYS A 62 17.193 -3.153 16.838 1.00 0.00 C ATOM 879 CD LYS A 62 16.698 -4.433 17.490 1.00 0.00 C ATOM 880 CE LYS A 62 16.373 -4.220 18.960 1.00 0.00 C ATOM 881 NZ LYS A 62 17.453 -4.736 19.847 1.00 0.00 N ATOM 0 H LYS A 62 16.371 -3.746 14.218 1.00 0.00 H new ATOM 0 HA LYS A 62 14.625 -1.573 15.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.381 -1.179 16.983 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.211 -2.457 17.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.653 -3.387 15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.965 -2.701 17.461 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.810 -4.789 16.968 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.457 -5.209 17.393 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.225 -3.157 19.149 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.435 -4.720 19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.030 -5.171 20.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.013 -5.447 19.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.071 -3.951 20.135 1.00 0.00 H new ATOM 895 N PRO A 63 16.254 0.118 14.255 1.00 0.00 N ATOM 896 CA PRO A 63 17.093 1.079 13.534 1.00 0.00 C ATOM 897 C PRO A 63 18.387 1.391 14.277 1.00 0.00 C ATOM 898 O PRO A 63 18.497 1.154 15.481 1.00 0.00 O ATOM 899 CB PRO A 63 16.210 2.327 13.450 1.00 0.00 C ATOM 900 CG PRO A 63 15.279 2.211 14.606 1.00 0.00 C ATOM 901 CD PRO A 63 15.032 0.739 14.793 1.00 0.00 C ATOM 0 HA PRO A 63 17.408 0.697 12.563 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.805 3.238 13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.666 2.364 12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.714 2.651 15.503 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.347 2.741 14.411 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.882 0.487 15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.143 0.409 14.255 1.00 0.00 H new ATOM 909 N LEU A 64 19.365 1.925 13.554 1.00 0.00 N ATOM 910 CA LEU A 64 20.653 2.271 14.145 1.00 0.00 C ATOM 911 C LEU A 64 20.887 3.777 14.100 1.00 0.00 C ATOM 912 O LEU A 64 21.115 4.412 15.129 1.00 0.00 O ATOM 913 CB LEU A 64 21.784 1.546 13.413 1.00 0.00 C ATOM 914 CG LEU A 64 21.440 0.170 12.842 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.588 -0.360 11.997 1.00 0.00 C ATOM 916 CD2 LEU A 64 21.107 -0.805 13.962 1.00 0.00 C ATOM 0 H LEU A 64 19.291 2.128 12.557 1.00 0.00 H new ATOM 0 HA LEU A 64 20.642 1.955 15.188 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.127 2.181 12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.621 1.433 14.101 1.00 0.00 H new ATOM 0 HG LEU A 64 20.563 0.273 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.325 -1.340 11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.780 0.327 11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.483 -0.447 12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.865 -1.779 13.537 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.965 -0.903 14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.252 -0.433 14.526 1.00 0.00 H new ATOM 928 N GLY A 65 20.826 4.345 12.899 1.00 0.00 N ATOM 929 CA GLY A 65 21.031 5.773 12.742 1.00 0.00 C ATOM 930 C GLY A 65 19.868 6.452 12.045 1.00 0.00 C ATOM 931 O GLY A 65 18.763 6.510 12.582 1.00 0.00 O ATOM 0 H GLY A 65 20.638 3.841 12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.178 6.226 13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.944 5.946 12.171 1.00 0.00 H new ATOM 935 N ASN A 66 20.119 6.968 10.846 1.00 0.00 N ATOM 936 CA ASN A 66 19.085 7.649 10.076 1.00 0.00 C ATOM 937 C ASN A 66 17.950 6.692 9.723 1.00 0.00 C ATOM 938 O ASN A 66 16.922 6.657 10.397 1.00 0.00 O ATOM 939 CB ASN A 66 19.680 8.245 8.798 1.00 0.00 C ATOM 940 CG ASN A 66 18.639 8.947 7.948 1.00 0.00 C ATOM 941 OD1 ASN A 66 18.125 10.001 8.322 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.323 8.363 6.798 1.00 0.00 N ATOM 0 H ASN A 66 21.029 6.927 10.387 1.00 0.00 H new ATOM 0 HA ASN A 66 18.681 8.454 10.690 1.00 0.00 H new ATOM 0 HB2 ASN A 66 20.466 8.952 9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.147 7.452 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.628 8.788 6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.775 7.489 6.529 1.00 0.00 H new ATOM 949 N ASN A 67 18.147 5.916 8.662 1.00 0.00 N ATOM 950 CA ASN A 67 17.140 4.957 8.219 1.00 0.00 C ATOM 951 C ASN A 67 17.749 3.569 8.049 1.00 0.00 C ATOM 952 O ASN A 67 17.288 2.774 7.229 1.00 0.00 O ATOM 953 CB ASN A 67 16.513 5.417 6.902 1.00 0.00 C ATOM 954 CG ASN A 67 14.999 5.330 6.921 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.307 6.302 6.618 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.478 4.162 7.278 1.00 0.00 N ATOM 0 H ASN A 67 18.994 5.932 8.093 1.00 0.00 H new ATOM 0 HA ASN A 67 16.364 4.902 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.813 6.445 6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.899 4.806 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.465 4.043 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.090 3.383 7.521 1.00 0.00 H new ATOM 963 N SER A 68 18.787 3.284 8.829 1.00 0.00 N ATOM 964 CA SER A 68 19.462 1.993 8.762 1.00 0.00 C ATOM 965 C SER A 68 18.887 1.026 9.792 1.00 0.00 C ATOM 966 O SER A 68 18.937 1.281 10.995 1.00 0.00 O ATOM 967 CB SER A 68 20.964 2.166 8.992 1.00 0.00 C ATOM 968 OG SER A 68 21.238 3.367 9.694 1.00 0.00 O ATOM 0 H SER A 68 19.179 3.930 9.515 1.00 0.00 H new ATOM 0 HA SER A 68 19.300 1.577 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.349 1.316 9.555 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.483 2.175 8.034 1.00 0.00 H new ATOM 0 HG SER A 68 22.205 3.453 9.830 1.00 0.00 H new ATOM 974 N TRP A 69 18.341 -0.085 9.311 1.00 0.00 N ATOM 975 CA TRP A 69 17.755 -1.092 10.189 1.00 0.00 C ATOM 976 C TRP A 69 18.577 -2.376 10.169 1.00 0.00 C ATOM 977 O TRP A 69 19.248 -2.681 9.183 1.00 0.00 O ATOM 978 CB TRP A 69 16.314 -1.388 9.770 1.00 0.00 C ATOM 979 CG TRP A 69 15.416 -0.190 9.846 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.617 1.024 9.255 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.176 -0.093 10.555 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.577 1.871 9.554 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.679 1.209 10.349 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.435 -0.979 11.341 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.478 1.644 10.903 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.243 -0.547 11.890 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.774 0.755 11.669 1.00 0.00 C ATOM 0 H TRP A 69 18.292 -0.312 8.318 1.00 0.00 H new ATOM 0 HA TRP A 69 17.756 -0.697 11.205 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.311 -1.771 8.750 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.912 -2.176 10.407 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.468 1.281 8.642 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.488 2.836 9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.788 -1.985 11.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 12.115 2.647 10.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.663 -1.224 12.500 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.838 1.063 12.112 1.00 0.00 H new ATOM 998 N THR A 70 18.521 -3.126 11.265 1.00 0.00 N ATOM 999 CA THR A 70 19.261 -4.377 11.374 1.00 0.00 C ATOM 1000 C THR A 70 18.396 -5.477 11.977 1.00 0.00 C ATOM 1001 O THR A 70 17.436 -5.202 12.698 1.00 0.00 O ATOM 1002 CB THR A 70 20.528 -4.207 12.234 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.306 -5.409 12.202 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.165 -3.870 13.672 1.00 0.00 C ATOM 0 H THR A 70 17.970 -2.889 12.090 1.00 0.00 H new ATOM 0 HA THR A 70 19.552 -4.661 10.363 1.00 0.00 H new ATOM 0 HB THR A 70 21.113 -3.385 11.822 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.468 -5.669 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.076 -3.755 14.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.598 -2.940 13.696 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.561 -4.674 14.093 1.00 0.00 H new ATOM 1012 N LEU A 71 18.740 -6.725 11.678 1.00 0.00 N ATOM 1013 CA LEU A 71 17.995 -7.869 12.192 1.00 0.00 C ATOM 1014 C LEU A 71 18.724 -8.511 13.368 1.00 0.00 C ATOM 1015 O LEU A 71 19.899 -8.861 13.264 1.00 0.00 O ATOM 1016 CB LEU A 71 17.780 -8.902 11.085 1.00 0.00 C ATOM 1017 CG LEU A 71 16.372 -8.968 10.492 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.363 -9.372 11.556 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.991 -7.631 9.873 1.00 0.00 C ATOM 0 H LEU A 71 19.530 -6.970 11.082 1.00 0.00 H new ATOM 0 HA LEU A 71 17.026 -7.512 12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.483 -8.692 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.033 -9.886 11.480 1.00 0.00 H new ATOM 0 HG LEU A 71 16.364 -9.724 9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.367 -9.414 11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.626 -10.353 11.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.372 -8.640 12.363 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.986 -7.696 9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.017 -6.855 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.697 -7.382 9.081 1.00 0.00 H new ATOM 1031 N GLU A 72 18.018 -8.664 14.484 1.00 0.00 N ATOM 1032 CA GLU A 72 18.599 -9.265 15.678 1.00 0.00 C ATOM 1033 C GLU A 72 17.816 -10.505 16.099 1.00 0.00 C ATOM 1034 O GLU A 72 16.585 -10.530 16.079 1.00 0.00 O ATOM 1035 CB GLU A 72 18.626 -8.252 16.825 1.00 0.00 C ATOM 1036 CG GLU A 72 19.085 -8.842 18.147 1.00 0.00 C ATOM 1037 CD GLU A 72 18.858 -7.903 19.316 1.00 0.00 C ATOM 1038 OE1 GLU A 72 19.509 -6.838 19.355 1.00 0.00 O ATOM 1039 OE2 GLU A 72 18.030 -8.232 20.190 1.00 0.00 O ATOM 0 H GLU A 72 17.044 -8.380 14.586 1.00 0.00 H new ATOM 0 HA GLU A 72 19.620 -9.564 15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.287 -7.428 16.555 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.628 -7.832 16.951 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.553 -9.776 18.328 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.145 -9.086 18.083 1.00 0.00 H new ATOM 1046 N PRO A 73 18.546 -11.562 16.488 1.00 0.00 N ATOM 1047 CA PRO A 73 17.941 -12.825 16.921 1.00 0.00 C ATOM 1048 C PRO A 73 17.230 -12.697 18.263 1.00 0.00 C ATOM 1049 O PRO A 73 17.832 -12.302 19.261 1.00 0.00 O ATOM 1050 CB PRO A 73 19.140 -13.770 17.038 1.00 0.00 C ATOM 1051 CG PRO A 73 20.305 -12.875 17.286 1.00 0.00 C ATOM 1052 CD PRO A 73 20.017 -11.603 16.537 1.00 0.00 C ATOM 0 HA PRO A 73 17.175 -13.170 16.226 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.006 -14.481 17.854 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.275 -14.353 16.127 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.428 -12.681 18.352 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.230 -13.333 16.936 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.426 -10.733 17.050 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.452 -11.618 15.538 1.00 0.00 H new ATOM 1060 N ALA A 74 15.945 -13.036 18.281 1.00 0.00 N ATOM 1061 CA ALA A 74 15.152 -12.962 19.502 1.00 0.00 C ATOM 1062 C ALA A 74 14.931 -14.347 20.099 1.00 0.00 C ATOM 1063 O ALA A 74 15.063 -15.368 19.423 1.00 0.00 O ATOM 1064 CB ALA A 74 13.818 -12.285 19.225 1.00 0.00 C ATOM 0 H ALA A 74 15.431 -13.365 17.464 1.00 0.00 H new ATOM 0 HA ALA A 74 15.705 -12.367 20.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.236 -12.237 20.146 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.993 -11.276 18.853 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.268 -12.857 18.478 1.00 0.00 H new ATOM 1070 N PRO A 75 14.587 -14.387 21.395 1.00 0.00 N ATOM 1071 CA PRO A 75 14.341 -15.642 22.110 1.00 0.00 C ATOM 1072 C PRO A 75 13.062 -16.332 21.649 1.00 0.00 C ATOM 1073 O PRO A 75 12.057 -15.676 21.375 1.00 0.00 O ATOM 1074 CB PRO A 75 14.213 -15.199 23.570 1.00 0.00 C ATOM 1075 CG PRO A 75 13.773 -13.778 23.497 1.00 0.00 C ATOM 1076 CD PRO A 75 14.412 -13.209 22.261 1.00 0.00 C ATOM 0 HA PRO A 75 15.134 -16.370 21.939 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.488 -15.811 24.107 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.163 -15.293 24.097 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.687 -13.708 23.442 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.083 -13.227 24.385 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.779 -12.456 21.792 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.365 -12.730 22.485 1.00 0.00 H new ATOM 1084 N ALA A 76 13.106 -17.657 21.565 1.00 0.00 N ATOM 1085 CA ALA A 76 11.949 -18.435 21.139 1.00 0.00 C ATOM 1086 C ALA A 76 10.749 -18.173 22.043 1.00 0.00 C ATOM 1087 O ALA A 76 10.882 -17.693 23.169 1.00 0.00 O ATOM 1088 CB ALA A 76 12.287 -19.918 21.124 1.00 0.00 C ATOM 0 H ALA A 76 13.931 -18.215 21.786 1.00 0.00 H new ATOM 0 HA ALA A 76 11.685 -18.124 20.128 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.414 -20.487 20.804 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.110 -20.097 20.432 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.579 -20.235 22.125 1.00 0.00 H new ATOM 1094 N PRO A 77 9.548 -18.494 21.540 1.00 0.00 N ATOM 1095 CA PRO A 77 8.300 -18.302 22.285 1.00 0.00 C ATOM 1096 C PRO A 77 8.173 -19.264 23.461 1.00 0.00 C ATOM 1097 O PRO A 77 8.930 -20.229 23.572 1.00 0.00 O ATOM 1098 CB PRO A 77 7.216 -18.586 21.242 1.00 0.00 C ATOM 1099 CG PRO A 77 7.871 -19.487 20.252 1.00 0.00 C ATOM 1100 CD PRO A 77 9.315 -19.070 20.204 1.00 0.00 C ATOM 0 HA PRO A 77 8.237 -17.306 22.724 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.346 -19.061 21.695 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.869 -17.666 20.771 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.776 -20.531 20.552 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.405 -19.393 19.271 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.972 -19.918 20.012 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.497 -18.341 19.415 1.00 0.00 H new ATOM 1108 N LYS A 78 7.212 -18.995 24.338 1.00 0.00 N ATOM 1109 CA LYS A 78 6.984 -19.837 25.506 1.00 0.00 C ATOM 1110 C LYS A 78 6.562 -21.243 25.090 1.00 0.00 C ATOM 1111 O LYS A 78 5.413 -21.468 24.711 1.00 0.00 O ATOM 1112 CB LYS A 78 5.914 -19.217 26.407 1.00 0.00 C ATOM 1113 CG LYS A 78 5.982 -19.691 27.848 1.00 0.00 C ATOM 1114 CD LYS A 78 5.132 -20.931 28.069 1.00 0.00 C ATOM 1115 CE LYS A 78 5.730 -21.834 29.137 1.00 0.00 C ATOM 1116 NZ LYS A 78 5.565 -21.264 30.502 1.00 0.00 N ATOM 0 H LYS A 78 6.578 -18.200 24.262 1.00 0.00 H new ATOM 0 HA LYS A 78 7.920 -19.907 26.060 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.017 -18.132 26.385 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.930 -19.452 26.002 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.017 -19.907 28.112 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.643 -18.894 28.510 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.125 -20.635 28.363 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.042 -21.483 27.133 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.254 -22.813 29.093 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.790 -21.985 28.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.986 -21.909 31.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.041 -20.341 30.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.553 -21.143 30.708 1.00 0.00 H new ATOM 1130 N GLU A 79 7.497 -22.184 25.164 1.00 0.00 N ATOM 1131 CA GLU A 79 7.220 -23.567 24.795 1.00 0.00 C ATOM 1132 C GLU A 79 5.982 -24.086 25.521 1.00 0.00 C ATOM 1133 O GLU A 79 5.914 -24.061 26.750 1.00 0.00 O ATOM 1134 CB GLU A 79 8.423 -24.455 25.117 1.00 0.00 C ATOM 1135 CG GLU A 79 8.807 -24.452 26.587 1.00 0.00 C ATOM 1136 CD GLU A 79 10.132 -25.141 26.846 1.00 0.00 C ATOM 1137 OE1 GLU A 79 10.199 -26.378 26.690 1.00 0.00 O ATOM 1138 OE2 GLU A 79 11.103 -24.442 27.206 1.00 0.00 O ATOM 0 H GLU A 79 8.453 -22.014 25.476 1.00 0.00 H new ATOM 0 HA GLU A 79 7.031 -23.599 23.722 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.201 -25.477 24.810 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.277 -24.123 24.527 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.862 -23.423 26.942 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.026 -24.947 27.164 1.00 0.00 H new ATOM 1145 N ASP A 80 5.006 -24.554 24.751 1.00 0.00 N ATOM 1146 CA ASP A 80 3.770 -25.080 25.320 1.00 0.00 C ATOM 1147 C ASP A 80 3.011 -25.915 24.292 1.00 0.00 C ATOM 1148 O ASP A 80 2.551 -25.397 23.276 1.00 0.00 O ATOM 1149 CB ASP A 80 2.886 -23.936 25.819 1.00 0.00 C ATOM 1150 CG ASP A 80 1.891 -24.389 26.869 1.00 0.00 C ATOM 1151 OD1 ASP A 80 1.870 -25.597 27.186 1.00 0.00 O ATOM 1152 OD2 ASP A 80 1.132 -23.535 27.374 1.00 0.00 O ATOM 0 H ASP A 80 5.046 -24.580 23.732 1.00 0.00 H new ATOM 0 HA ASP A 80 4.030 -25.721 26.162 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.515 -23.149 26.235 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.348 -23.502 24.976 1.00 0.00 H new ATOM 1157 N ALA A 81 2.886 -27.209 24.565 1.00 0.00 N ATOM 1158 CA ALA A 81 2.183 -28.115 23.666 1.00 0.00 C ATOM 1159 C ALA A 81 0.681 -27.852 23.686 1.00 0.00 C ATOM 1160 O ALA A 81 -0.025 -28.155 22.723 1.00 0.00 O ATOM 1161 CB ALA A 81 2.473 -29.561 24.041 1.00 0.00 C ATOM 0 H ALA A 81 3.263 -27.654 25.402 1.00 0.00 H new ATOM 0 HA ALA A 81 2.543 -27.935 22.653 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.941 -30.227 23.361 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.544 -29.748 23.968 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.141 -29.745 25.063 1.00 0.00 H new ATOM 1167 N LEU A 82 0.198 -27.288 24.787 1.00 0.00 N ATOM 1168 CA LEU A 82 -1.221 -26.985 24.932 1.00 0.00 C ATOM 1169 C LEU A 82 -2.063 -28.251 24.819 1.00 0.00 C ATOM 1170 O LEU A 82 -2.976 -28.332 23.997 1.00 0.00 O ATOM 1171 CB LEU A 82 -1.658 -25.972 23.872 1.00 0.00 C ATOM 1172 CG LEU A 82 -2.810 -25.046 24.263 1.00 0.00 C ATOM 1173 CD1 LEU A 82 -2.649 -23.685 23.603 1.00 0.00 C ATOM 1174 CD2 LEU A 82 -4.146 -25.669 23.885 1.00 0.00 C ATOM 0 H LEU A 82 0.768 -27.031 25.593 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.375 -26.555 25.922 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.797 -25.357 23.609 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.946 -26.518 22.974 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.789 -24.907 25.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.478 -23.040 23.893 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.709 -23.234 23.923 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.644 -23.804 22.520 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.955 -24.996 24.171 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.177 -25.838 22.809 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.264 -26.620 24.405 1.00 0.00 H new ATOM 1186 N THR A 83 -1.751 -29.240 25.652 1.00 0.00 N ATOM 1187 CA THR A 83 -2.479 -30.502 25.647 1.00 0.00 C ATOM 1188 C THR A 83 -3.460 -30.577 26.812 1.00 0.00 C ATOM 1189 O THR A 83 -3.398 -31.494 27.630 1.00 0.00 O ATOM 1190 CB THR A 83 -1.519 -31.704 25.721 1.00 0.00 C ATOM 1191 OG1 THR A 83 -2.266 -32.924 25.793 1.00 0.00 O ATOM 1192 CG2 THR A 83 -0.604 -31.592 26.930 1.00 0.00 C ATOM 0 H THR A 83 -0.998 -29.190 26.339 1.00 0.00 H new ATOM 0 HA THR A 83 -3.031 -30.544 24.708 1.00 0.00 H new ATOM 0 HB THR A 83 -0.905 -31.707 24.820 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.815 -32.924 26.605 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.065 -32.452 26.961 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.016 -30.677 26.858 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.204 -31.566 27.839 1.00 0.00 H new ATOM 1200 N VAL A 84 -4.365 -29.606 26.880 1.00 0.00 N ATOM 1201 CA VAL A 84 -5.360 -29.563 27.945 1.00 0.00 C ATOM 1202 C VAL A 84 -6.685 -29.005 27.436 1.00 0.00 C ATOM 1203 O VAL A 84 -6.790 -27.822 27.114 1.00 0.00 O ATOM 1204 CB VAL A 84 -4.877 -28.707 29.131 1.00 0.00 C ATOM 1205 CG1 VAL A 84 -5.815 -28.861 30.318 1.00 0.00 C ATOM 1206 CG2 VAL A 84 -3.454 -29.082 29.513 1.00 0.00 C ATOM 0 H VAL A 84 -4.430 -28.839 26.211 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.506 -30.589 28.283 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.883 -27.660 28.828 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.457 -28.249 31.146 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.817 -28.538 30.034 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.844 -29.906 30.626 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.129 -28.468 30.352 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.419 -30.134 29.798 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.793 -28.914 28.663 1.00 0.00 H new ATOM 1216 N VAL A 85 -7.696 -29.866 27.367 1.00 0.00 N ATOM 1217 CA VAL A 85 -9.015 -29.460 26.898 1.00 0.00 C ATOM 1218 C VAL A 85 -8.929 -28.771 25.541 1.00 0.00 C ATOM 1219 O VAL A 85 -9.333 -27.619 25.391 1.00 0.00 O ATOM 1220 CB VAL A 85 -9.699 -28.512 27.901 1.00 0.00 C ATOM 1221 CG1 VAL A 85 -11.158 -28.300 27.527 1.00 0.00 C ATOM 1222 CG2 VAL A 85 -9.577 -29.055 29.317 1.00 0.00 C ATOM 0 H VAL A 85 -7.626 -30.849 27.630 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.610 -30.368 26.803 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.195 -27.546 27.862 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.624 -27.628 28.247 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.218 -27.863 26.530 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.679 -29.258 27.535 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.066 -28.372 30.012 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.054 -30.034 29.374 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.524 -29.149 29.581 1.00 0.00 H new ATOM 1232 N GLY A 86 -8.398 -29.486 24.553 1.00 0.00 N ATOM 1233 CA GLY A 86 -8.269 -28.927 23.220 1.00 0.00 C ATOM 1234 C GLY A 86 -9.551 -29.035 22.419 1.00 0.00 C ATOM 1235 O GLY A 86 -10.606 -28.575 22.858 1.00 0.00 O ATOM 0 H GLY A 86 -8.055 -30.442 24.652 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.979 -27.879 23.295 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.468 -29.442 22.689 1.00 0.00 H new ATOM 1239 N ASP A 87 -9.461 -29.643 21.241 1.00 0.00 N ATOM 1240 CA ASP A 87 -10.624 -29.810 20.376 1.00 0.00 C ATOM 1241 C ASP A 87 -11.491 -30.972 20.850 1.00 0.00 C ATOM 1242 O ASP A 87 -12.717 -30.928 20.741 1.00 0.00 O ATOM 1243 CB ASP A 87 -10.181 -30.043 18.931 1.00 0.00 C ATOM 1244 CG ASP A 87 -9.830 -28.752 18.217 1.00 0.00 C ATOM 1245 OD1 ASP A 87 -10.429 -27.709 18.551 1.00 0.00 O ATOM 1246 OD2 ASP A 87 -8.958 -28.786 17.324 1.00 0.00 O ATOM 0 H ASP A 87 -8.595 -30.028 20.863 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.216 -28.896 20.423 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.316 -30.706 18.922 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.978 -30.550 18.387 1.00 0.00 H new ATOM 1251 N TRP A 88 -10.848 -32.008 21.374 1.00 0.00 N ATOM 1252 CA TRP A 88 -11.561 -33.183 21.863 1.00 0.00 C ATOM 1253 C TRP A 88 -12.396 -33.814 20.754 1.00 0.00 C ATOM 1254 O TRP A 88 -13.516 -33.379 20.482 1.00 0.00 O ATOM 1255 CB TRP A 88 -12.459 -32.805 23.042 1.00 0.00 C ATOM 1256 CG TRP A 88 -13.444 -33.875 23.405 1.00 0.00 C ATOM 1257 CD1 TRP A 88 -14.758 -33.938 23.036 1.00 0.00 C ATOM 1258 CD2 TRP A 88 -13.195 -35.032 24.209 1.00 0.00 C ATOM 1259 NE1 TRP A 88 -15.340 -35.066 23.562 1.00 0.00 N ATOM 1260 CE2 TRP A 88 -14.402 -35.754 24.285 1.00 0.00 C ATOM 1261 CE3 TRP A 88 -12.070 -35.531 24.870 1.00 0.00 C ATOM 1262 CZ2 TRP A 88 -14.513 -36.946 24.998 1.00 0.00 C ATOM 1263 CZ3 TRP A 88 -12.181 -36.713 25.577 1.00 0.00 C ATOM 1264 CH2 TRP A 88 -13.395 -37.410 25.636 1.00 0.00 C ATOM 0 H TRP A 88 -9.834 -32.059 21.472 1.00 0.00 H new ATOM 0 HA TRP A 88 -10.823 -33.913 22.196 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.836 -32.586 23.909 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -13.000 -31.890 22.799 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -15.265 -33.209 22.421 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -16.313 -35.346 23.435 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -11.129 -35.002 24.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -15.448 -37.484 25.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.317 -37.106 26.093 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -13.449 -38.332 26.196 1.00 0.00 H new ATOM 1275 N LEU A 89 -11.845 -34.840 20.116 1.00 0.00 N ATOM 1276 CA LEU A 89 -12.540 -35.532 19.036 1.00 0.00 C ATOM 1277 C LEU A 89 -13.357 -36.702 19.575 1.00 0.00 C ATOM 1278 O LEU A 89 -14.368 -37.088 18.990 1.00 0.00 O ATOM 1279 CB LEU A 89 -11.536 -36.033 17.995 1.00 0.00 C ATOM 1280 CG LEU A 89 -12.123 -36.807 16.815 1.00 0.00 C ATOM 1281 CD1 LEU A 89 -13.262 -36.027 16.178 1.00 0.00 C ATOM 1282 CD2 LEU A 89 -11.043 -37.113 15.787 1.00 0.00 C ATOM 0 H LEU A 89 -10.919 -35.211 20.328 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.221 -34.824 18.564 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.989 -35.175 17.605 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.810 -36.672 18.498 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.520 -37.751 17.187 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.667 -36.594 15.340 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.046 -35.860 16.916 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.890 -35.067 15.821 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.479 -37.664 14.954 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.615 -36.180 15.420 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.260 -37.714 16.250 1.00 0.00 H new ATOM 1294 N GLY A 90 -12.912 -37.261 20.696 1.00 0.00 N ATOM 1295 CA GLY A 90 -13.615 -38.380 21.297 1.00 0.00 C ATOM 1296 C GLY A 90 -13.038 -39.718 20.880 1.00 0.00 C ATOM 1297 O GLY A 90 -12.872 -39.987 19.690 1.00 0.00 O ATOM 0 H GLY A 90 -12.077 -36.959 21.199 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.572 -38.292 22.383 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.667 -38.338 21.015 1.00 0.00 H new ATOM 1301 N ASP A 91 -12.730 -40.559 21.861 1.00 0.00 N ATOM 1302 CA ASP A 91 -12.167 -41.877 21.590 1.00 0.00 C ATOM 1303 C ASP A 91 -13.265 -42.871 21.223 1.00 0.00 C ATOM 1304 O ASP A 91 -13.458 -43.877 21.906 1.00 0.00 O ATOM 1305 CB ASP A 91 -11.389 -42.382 22.805 1.00 0.00 C ATOM 1306 CG ASP A 91 -12.235 -42.413 24.063 1.00 0.00 C ATOM 1307 OD1 ASP A 91 -12.406 -41.345 24.688 1.00 0.00 O ATOM 1308 OD2 ASP A 91 -12.725 -43.504 24.423 1.00 0.00 O ATOM 0 H ASP A 91 -12.861 -40.352 22.851 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.485 -41.788 20.744 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.011 -43.384 22.600 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.522 -41.742 22.969 1.00 0.00 H new ATOM 1313 N ALA A 92 -13.981 -42.582 20.142 1.00 0.00 N ATOM 1314 CA ALA A 92 -15.058 -43.451 19.684 1.00 0.00 C ATOM 1315 C ALA A 92 -14.846 -43.871 18.234 1.00 0.00 C ATOM 1316 O ALA A 92 -14.343 -43.095 17.421 1.00 0.00 O ATOM 1317 CB ALA A 92 -16.402 -42.755 19.844 1.00 0.00 C ATOM 0 H ALA A 92 -13.835 -41.753 19.567 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.052 -44.351 20.299 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.197 -43.415 19.498 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.563 -42.512 20.894 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -16.410 -41.838 19.254 1.00 0.00 H new ATOM 1323 N ARG A 93 -15.233 -45.102 17.916 1.00 0.00 N ATOM 1324 CA ARG A 93 -15.083 -45.625 16.564 1.00 0.00 C ATOM 1325 C ARG A 93 -16.376 -46.280 16.088 1.00 0.00 C ATOM 1326 O ARG A 93 -16.925 -47.152 16.761 1.00 0.00 O ATOM 1327 CB ARG A 93 -13.936 -46.636 16.509 1.00 0.00 C ATOM 1328 CG ARG A 93 -12.558 -45.997 16.548 1.00 0.00 C ATOM 1329 CD ARG A 93 -11.513 -46.884 15.890 1.00 0.00 C ATOM 1330 NE ARG A 93 -11.451 -48.206 16.507 1.00 0.00 N ATOM 1331 CZ ARG A 93 -10.935 -48.433 17.710 1.00 0.00 C ATOM 1332 NH1 ARG A 93 -10.438 -47.430 18.421 1.00 0.00 N ATOM 1333 NH2 ARG A 93 -10.915 -49.664 18.203 1.00 0.00 N ATOM 0 H ARG A 93 -15.653 -45.756 18.577 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.854 -44.790 15.902 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.031 -47.326 17.347 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -14.027 -47.227 15.598 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -12.589 -45.032 16.042 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -12.274 -45.805 17.583 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.742 -46.989 14.830 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.536 -46.406 15.959 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.825 -48.999 15.986 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.451 -46.482 18.044 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.042 -47.606 19.344 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.296 -50.438 17.658 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.519 -49.837 19.127 1.00 0.00 H new ATOM 1347 N GLU A 94 -16.857 -45.853 14.924 1.00 0.00 N ATOM 1348 CA GLU A 94 -18.086 -46.397 14.360 1.00 0.00 C ATOM 1349 C GLU A 94 -17.782 -47.534 13.389 1.00 0.00 C ATOM 1350 O GLU A 94 -17.166 -47.324 12.345 1.00 0.00 O ATOM 1351 CB GLU A 94 -18.876 -45.299 13.646 1.00 0.00 C ATOM 1352 CG GLU A 94 -20.378 -45.527 13.651 1.00 0.00 C ATOM 1353 CD GLU A 94 -20.803 -46.638 12.710 1.00 0.00 C ATOM 1354 OE1 GLU A 94 -20.707 -46.443 11.480 1.00 0.00 O ATOM 1355 OE2 GLU A 94 -21.231 -47.702 13.203 1.00 0.00 O ATOM 0 H GLU A 94 -16.414 -45.132 14.354 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.687 -46.792 15.179 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -18.661 -44.342 14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -18.531 -45.228 12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.701 -45.770 14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -20.883 -44.603 13.368 1.00 0.00 H new ATOM 1362 N ASN A 95 -18.219 -48.739 13.741 1.00 0.00 N ATOM 1363 CA ASN A 95 -17.993 -49.910 12.902 1.00 0.00 C ATOM 1364 C ASN A 95 -18.883 -49.871 11.663 1.00 0.00 C ATOM 1365 O ASN A 95 -20.110 -49.886 11.767 1.00 0.00 O ATOM 1366 CB ASN A 95 -18.259 -51.191 13.695 1.00 0.00 C ATOM 1367 CG ASN A 95 -17.930 -52.441 12.902 1.00 0.00 C ATOM 1368 OD1 ASN A 95 -16.820 -52.592 12.391 1.00 0.00 O ATOM 1369 ND2 ASN A 95 -18.898 -53.344 12.795 1.00 0.00 N ATOM 0 H ASN A 95 -18.732 -48.930 14.602 1.00 0.00 H new ATOM 0 HA ASN A 95 -16.952 -49.900 12.580 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -17.667 -51.178 14.610 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -19.307 -51.219 13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.737 -54.205 12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -19.803 -53.176 13.235 1.00 0.00 H new ATOM 1376 N ASP A 96 -18.256 -49.823 10.493 1.00 0.00 N ATOM 1377 CA ASP A 96 -18.991 -49.784 9.233 1.00 0.00 C ATOM 1378 C ASP A 96 -18.084 -50.154 8.064 1.00 0.00 C ATOM 1379 O ASP A 96 -16.945 -49.691 7.977 1.00 0.00 O ATOM 1380 CB ASP A 96 -19.591 -48.395 9.011 1.00 0.00 C ATOM 1381 CG ASP A 96 -20.565 -48.364 7.850 1.00 0.00 C ATOM 1382 OD1 ASP A 96 -20.911 -49.449 7.338 1.00 0.00 O ATOM 1383 OD2 ASP A 96 -20.980 -47.255 7.452 1.00 0.00 O ATOM 0 H ASP A 96 -17.241 -49.810 10.390 1.00 0.00 H new ATOM 0 HA ASP A 96 -19.798 -50.514 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -20.102 -48.074 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.788 -47.681 8.827 1.00 0.00 H new ATOM 1388 N LEU A 97 -18.594 -50.990 7.167 1.00 0.00 N ATOM 1389 CA LEU A 97 -17.830 -51.423 6.003 1.00 0.00 C ATOM 1390 C LEU A 97 -17.925 -50.398 4.877 1.00 0.00 C ATOM 1391 O LEU A 97 -18.867 -50.416 4.086 1.00 0.00 O ATOM 1392 CB LEU A 97 -18.334 -52.782 5.514 1.00 0.00 C ATOM 1393 CG LEU A 97 -17.299 -53.676 4.831 1.00 0.00 C ATOM 1394 CD1 LEU A 97 -16.715 -52.981 3.611 1.00 0.00 C ATOM 1395 CD2 LEU A 97 -16.196 -54.058 5.808 1.00 0.00 C ATOM 0 H LEU A 97 -19.534 -51.382 7.224 1.00 0.00 H new ATOM 0 HA LEU A 97 -16.785 -51.515 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -18.745 -53.323 6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -19.155 -52.613 4.817 1.00 0.00 H new ATOM 0 HG LEU A 97 -17.797 -54.588 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.980 -53.633 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -17.513 -52.759 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.233 -52.053 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.468 -54.694 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.701 -53.156 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.628 -54.597 6.651 1.00 0.00 H new ATOM 1407 N GLU A 98 -16.941 -49.506 4.811 1.00 0.00 N ATOM 1408 CA GLU A 98 -16.914 -48.475 3.781 1.00 0.00 C ATOM 1409 C GLU A 98 -15.526 -48.368 3.155 1.00 0.00 C ATOM 1410 O GLU A 98 -15.021 -47.270 2.921 1.00 0.00 O ATOM 1411 CB GLU A 98 -17.324 -47.123 4.370 1.00 0.00 C ATOM 1412 CG GLU A 98 -18.820 -46.990 4.603 1.00 0.00 C ATOM 1413 CD GLU A 98 -19.566 -46.543 3.362 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -18.904 -46.122 2.390 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -20.813 -46.615 3.362 1.00 0.00 O ATOM 0 H GLU A 98 -16.153 -49.477 5.458 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.625 -48.756 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -16.803 -46.975 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -16.997 -46.329 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.219 -47.948 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -18.997 -46.274 5.406 1.00 0.00 H new ATOM 1422 N HIS A 99 -14.915 -49.517 2.885 1.00 0.00 N ATOM 1423 CA HIS A 99 -13.586 -49.554 2.285 1.00 0.00 C ATOM 1424 C HIS A 99 -13.598 -50.356 0.987 1.00 0.00 C ATOM 1425 O HIS A 99 -13.390 -51.570 0.993 1.00 0.00 O ATOM 1426 CB HIS A 99 -12.579 -50.160 3.263 1.00 0.00 C ATOM 1427 CG HIS A 99 -12.481 -49.416 4.559 1.00 0.00 C ATOM 1428 ND1 HIS A 99 -12.686 -50.012 5.786 1.00 0.00 N ATOM 1429 CD2 HIS A 99 -12.195 -48.118 4.816 1.00 0.00 C ATOM 1430 CE1 HIS A 99 -12.533 -49.112 6.741 1.00 0.00 C ATOM 1431 NE2 HIS A 99 -12.234 -47.954 6.178 1.00 0.00 N ATOM 0 H HIS A 99 -15.319 -50.435 3.072 1.00 0.00 H new ATOM 0 HA HIS A 99 -13.289 -48.531 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.860 -51.193 3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.596 -50.184 2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -11.977 -47.354 4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.635 -49.292 7.801 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.060 -47.080 6.675 1.00 0.00 H new ATOM 1439 N HIS A 100 -13.844 -49.669 -0.125 1.00 0.00 N ATOM 1440 CA HIS A 100 -13.883 -50.318 -1.431 1.00 0.00 C ATOM 1441 C HIS A 100 -12.804 -49.753 -2.350 1.00 0.00 C ATOM 1442 O HIS A 100 -12.828 -48.572 -2.700 1.00 0.00 O ATOM 1443 CB HIS A 100 -15.260 -50.140 -2.071 1.00 0.00 C ATOM 1444 CG HIS A 100 -15.580 -51.179 -3.100 1.00 0.00 C ATOM 1445 ND1 HIS A 100 -16.512 -52.176 -2.899 1.00 0.00 N ATOM 1446 CD2 HIS A 100 -15.089 -51.371 -4.347 1.00 0.00 C ATOM 1447 CE1 HIS A 100 -16.578 -52.938 -3.977 1.00 0.00 C ATOM 1448 NE2 HIS A 100 -15.724 -52.470 -4.870 1.00 0.00 N ATOM 0 H HIS A 100 -14.019 -48.664 -0.148 1.00 0.00 H new ATOM 0 HA HIS A 100 -13.693 -51.382 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -16.021 -50.167 -1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.312 -49.154 -2.533 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -17.064 -52.305 -2.051 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -14.338 -50.771 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -17.220 -53.797 -4.106 1.00 0.00 H new ATOM 1456 N HIS A 101 -11.859 -50.603 -2.738 1.00 0.00 N ATOM 1457 CA HIS A 101 -10.771 -50.188 -3.617 1.00 0.00 C ATOM 1458 C HIS A 101 -10.381 -51.315 -4.568 1.00 0.00 C ATOM 1459 O HIS A 101 -10.688 -52.482 -4.323 1.00 0.00 O ATOM 1460 CB HIS A 101 -9.558 -49.757 -2.793 1.00 0.00 C ATOM 1461 CG HIS A 101 -8.661 -48.792 -3.506 1.00 0.00 C ATOM 1462 ND1 HIS A 101 -7.316 -49.020 -3.704 1.00 0.00 N ATOM 1463 CD2 HIS A 101 -8.925 -47.591 -4.073 1.00 0.00 C ATOM 1464 CE1 HIS A 101 -6.790 -48.001 -4.359 1.00 0.00 C ATOM 1465 NE2 HIS A 101 -7.746 -47.120 -4.595 1.00 0.00 N ATOM 0 H HIS A 101 -11.824 -51.583 -2.458 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.118 -49.341 -4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.903 -49.302 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.982 -50.641 -2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.884 -47.096 -4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -5.755 -47.904 -4.652 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.627 -46.234 -5.086 1.00 0.00 H new ATOM 1473 N HIS A 102 -9.703 -50.959 -5.654 1.00 0.00 N ATOM 1474 CA HIS A 102 -9.271 -51.941 -6.642 1.00 0.00 C ATOM 1475 C HIS A 102 -7.927 -51.547 -7.249 1.00 0.00 C ATOM 1476 O HIS A 102 -7.835 -50.577 -8.002 1.00 0.00 O ATOM 1477 CB HIS A 102 -10.320 -52.081 -7.745 1.00 0.00 C ATOM 1478 CG HIS A 102 -11.446 -53.002 -7.388 1.00 0.00 C ATOM 1479 ND1 HIS A 102 -12.759 -52.751 -7.724 1.00 0.00 N ATOM 1480 CD2 HIS A 102 -11.448 -54.180 -6.721 1.00 0.00 C ATOM 1481 CE1 HIS A 102 -13.521 -53.734 -7.278 1.00 0.00 C ATOM 1482 NE2 HIS A 102 -12.749 -54.614 -6.666 1.00 0.00 N ATOM 0 H HIS A 102 -9.441 -49.998 -5.872 1.00 0.00 H new ATOM 0 HA HIS A 102 -9.155 -52.900 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.726 -51.096 -7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.836 -52.446 -8.651 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.586 -54.684 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -14.592 -53.806 -7.394 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -13.068 -55.476 -6.224 1.00 0.00 H new ATOM 1490 N HIS A 103 -6.887 -52.304 -6.914 1.00 0.00 N ATOM 1491 CA HIS A 103 -5.549 -52.033 -7.426 1.00 0.00 C ATOM 1492 C HIS A 103 -4.815 -53.333 -7.743 1.00 0.00 C ATOM 1493 O HIS A 103 -4.885 -54.299 -6.982 1.00 0.00 O ATOM 1494 CB HIS A 103 -4.748 -51.217 -6.411 1.00 0.00 C ATOM 1495 CG HIS A 103 -4.516 -51.932 -5.116 1.00 0.00 C ATOM 1496 ND1 HIS A 103 -3.259 -52.187 -4.611 1.00 0.00 N ATOM 1497 CD2 HIS A 103 -5.391 -52.445 -4.219 1.00 0.00 C ATOM 1498 CE1 HIS A 103 -3.370 -52.828 -3.461 1.00 0.00 C ATOM 1499 NE2 HIS A 103 -4.653 -52.996 -3.201 1.00 0.00 N ATOM 0 H HIS A 103 -6.945 -53.109 -6.291 1.00 0.00 H new ATOM 0 HA HIS A 103 -5.648 -51.458 -8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -3.785 -50.953 -6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.274 -50.283 -6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.468 -52.425 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.551 -53.158 -2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -5.035 -53.460 -2.377 1.00 0.00 H new ATOM 1507 N HIS A 104 -4.112 -53.350 -8.871 1.00 0.00 N ATOM 1508 CA HIS A 104 -3.365 -54.532 -9.289 1.00 0.00 C ATOM 1509 C HIS A 104 -1.921 -54.462 -8.801 1.00 0.00 C ATOM 1510 O HIS A 104 -1.405 -53.382 -8.515 1.00 0.00 O ATOM 1511 CB HIS A 104 -3.396 -54.668 -10.811 1.00 0.00 C ATOM 1512 CG HIS A 104 -2.545 -55.787 -11.330 1.00 0.00 C ATOM 1513 ND1 HIS A 104 -2.603 -57.070 -10.829 1.00 0.00 N ATOM 1514 CD2 HIS A 104 -1.614 -55.808 -12.311 1.00 0.00 C ATOM 1515 CE1 HIS A 104 -1.742 -57.833 -11.479 1.00 0.00 C ATOM 1516 NE2 HIS A 104 -1.129 -57.091 -12.385 1.00 0.00 N ATOM 0 H HIS A 104 -4.044 -52.559 -9.512 1.00 0.00 H new ATOM 0 HA HIS A 104 -3.838 -55.408 -8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -4.425 -54.826 -11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.063 -53.731 -11.258 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.309 -54.972 -12.922 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -1.569 -58.884 -11.300 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.413 -57.418 -13.033 1.00 0.00 H new TER 1524 HIS A 104