USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1202 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 71 GLN : amide:sc= -1.68 K(o=-1.9,f=0.4) USER MOD Set 1.2: B 82 THR OG1 : rot -96:sc= -0.191 USER MOD Set 2.1: B 55 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 2.2: B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 82 THR OG1 : rot -96:sc=-0.00942 USER MOD Set 3.2: B 71 GLN : amide:sc= -1.49 K(o=-1.5,f=0.74) USER MOD Set 4.1: A 7 MET CE :methyl 166:sc= -4.5! (180deg=-3.54!) USER MOD Set 4.2: A 74 MET CE :methyl -175:sc= -8.61! (180deg=-8.72!) USER MOD Set 4.3: A 78 SER OG : rot 80:sc= 1.64 USER MOD Set 4.4: A 81 THR OG1 : rot 76:sc= 0.17 USER MOD Set 4.5: B 7 MET CE :methyl 168:sc= -4.38! (180deg=-3.47!) USER MOD Set 4.6: B 74 MET CE :methyl 177:sc= -8.87! (180deg=-9.38!) USER MOD Set 4.7: B 78 SER OG : rot -151:sc= 1.32 USER MOD Set 4.8: B 81 THR OG1 : rot 78:sc= 0.237 USER MOD Set 5.1: A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 5.2: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.134 (180deg=0) USER MOD Single : A 1 SER OG : rot -157:sc= -0.577 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.38) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 117:sc= -0.664! USER MOD Single : A 18 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= 1.15 (180deg=-1.07!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.152 (180deg=-0.635) USER MOD Single : A 37 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.1!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 57 MET CE :methyl -137:sc= -0.662 (180deg=-2.87!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -120:sc=-0.00453 USER MOD Single : B 1 SER N :NH3+ -121:sc= 0.115 (180deg=0) USER MOD Single : B 1 SER OG : rot -153:sc= -0.532 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.42) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot 117:sc= -0.713! USER MOD Single : B 18 SER OG : rot 180:sc= -0.0465 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -147:sc= 0.934 (180deg=-0.917) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -106:sc= 0.141 (180deg=-0.577) USER MOD Single : B 37 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.3!) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.729 X(o=-0.73,f=-0.32) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.00089) USER MOD Single : B 57 MET CE :methyl -129:sc= -0.73 (180deg=-2.85!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : B 68 CYS SG : rot -120:sc=-0.00519 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 8.959 2.579 -13.517 1.00 0.00 N ATOM 21 CA SER A 1 9.282 1.444 -12.606 1.00 0.00 C ATOM 22 C SER A 1 7.984 0.787 -12.131 1.00 0.00 C ATOM 23 O SER A 1 6.899 1.219 -12.467 1.00 0.00 O ATOM 24 CB SER A 1 10.068 1.962 -11.402 1.00 0.00 C ATOM 25 OG SER A 1 9.165 2.514 -10.451 1.00 0.00 O ATOM 0 H1 SER A 1 9.414 2.424 -14.439 1.00 0.00 H new ATOM 0 H2 SER A 1 7.929 2.639 -13.645 1.00 0.00 H new ATOM 0 H3 SER A 1 9.309 3.467 -13.103 1.00 0.00 H new ATOM 0 HA SER A 1 9.885 0.709 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.639 1.151 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.786 2.718 -11.720 1.00 0.00 H new ATOM 0 HG SER A 1 9.642 3.151 -9.879 1.00 0.00 H new ATOM 31 N GLU A 2 8.086 -0.263 -11.360 1.00 0.00 N ATOM 32 CA GLU A 2 6.857 -0.955 -10.873 1.00 0.00 C ATOM 33 C GLU A 2 6.265 -0.215 -9.669 1.00 0.00 C ATOM 34 O GLU A 2 5.122 0.189 -9.679 1.00 0.00 O ATOM 35 CB GLU A 2 7.208 -2.381 -10.452 1.00 0.00 C ATOM 36 CG GLU A 2 7.765 -3.154 -11.648 1.00 0.00 C ATOM 37 CD GLU A 2 6.838 -2.970 -12.851 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.897 -3.736 -12.972 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.084 -2.065 -13.630 1.00 0.00 O ATOM 0 H GLU A 2 8.967 -0.671 -11.047 1.00 0.00 H new ATOM 0 HA GLU A 2 6.125 -0.970 -11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.942 -2.361 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.322 -2.883 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.767 -2.799 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.853 -4.212 -11.402 1.00 0.00 H new ATOM 46 N LEU A 3 7.026 -0.061 -8.621 1.00 0.00 N ATOM 47 CA LEU A 3 6.502 0.625 -7.401 1.00 0.00 C ATOM 48 C LEU A 3 6.080 2.059 -7.726 1.00 0.00 C ATOM 49 O LEU A 3 5.186 2.602 -7.108 1.00 0.00 O ATOM 50 CB LEU A 3 7.597 0.660 -6.336 1.00 0.00 C ATOM 51 CG LEU A 3 7.005 0.281 -4.977 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.748 -1.226 -4.935 1.00 0.00 C ATOM 53 CD2 LEU A 3 7.991 0.664 -3.870 1.00 0.00 C ATOM 0 H LEU A 3 7.992 -0.381 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 3 5.634 0.075 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.397 -0.031 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.038 1.655 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 3 6.065 0.812 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.326 -1.496 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.048 -1.498 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.687 -1.759 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.572 0.395 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.930 0.132 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.174 1.738 -3.901 1.00 0.00 H new ATOM 65 N GLU A 4 6.721 2.687 -8.667 1.00 0.00 N ATOM 66 CA GLU A 4 6.352 4.095 -8.991 1.00 0.00 C ATOM 67 C GLU A 4 5.013 4.145 -9.732 1.00 0.00 C ATOM 68 O GLU A 4 4.041 4.676 -9.237 1.00 0.00 O ATOM 69 CB GLU A 4 7.442 4.718 -9.867 1.00 0.00 C ATOM 70 CG GLU A 4 7.032 6.141 -10.255 1.00 0.00 C ATOM 71 CD GLU A 4 7.664 6.507 -11.599 1.00 0.00 C ATOM 72 OE1 GLU A 4 8.249 5.630 -12.216 1.00 0.00 O ATOM 73 OE2 GLU A 4 7.551 7.657 -11.989 1.00 0.00 O ATOM 0 H GLU A 4 7.479 2.293 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 4 6.258 4.655 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.390 4.735 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.594 4.115 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.946 6.213 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.352 6.845 -9.487 1.00 0.00 H new ATOM 80 N LYS A 5 4.950 3.614 -10.919 1.00 0.00 N ATOM 81 CA LYS A 5 3.669 3.657 -11.680 1.00 0.00 C ATOM 82 C LYS A 5 2.541 3.047 -10.840 1.00 0.00 C ATOM 83 O LYS A 5 1.412 3.493 -10.881 1.00 0.00 O ATOM 84 CB LYS A 5 3.824 2.865 -12.981 1.00 0.00 C ATOM 85 CG LYS A 5 4.205 3.815 -14.118 1.00 0.00 C ATOM 86 CD LYS A 5 5.235 3.138 -15.026 1.00 0.00 C ATOM 87 CE LYS A 5 4.567 2.723 -16.339 1.00 0.00 C ATOM 88 NZ LYS A 5 4.039 1.336 -16.210 1.00 0.00 N ATOM 0 H LYS A 5 5.726 3.153 -11.395 1.00 0.00 H new ATOM 0 HA LYS A 5 3.422 4.694 -11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.589 2.098 -12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.892 2.352 -13.219 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.319 4.085 -14.693 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.615 4.740 -13.712 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.062 3.819 -15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.655 2.264 -14.528 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.757 3.411 -16.581 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.285 2.776 -17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.585 1.053 -17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.822 0.685 -15.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.341 1.300 -15.440 1.00 0.00 H new ATOM 102 N ALA A 6 2.838 2.021 -10.091 1.00 0.00 N ATOM 103 CA ALA A 6 1.786 1.368 -9.259 1.00 0.00 C ATOM 104 C ALA A 6 1.561 2.150 -7.959 1.00 0.00 C ATOM 105 O ALA A 6 0.530 2.762 -7.762 1.00 0.00 O ATOM 106 CB ALA A 6 2.227 -0.059 -8.920 1.00 0.00 C ATOM 0 H ALA A 6 3.766 1.605 -10.019 1.00 0.00 H new ATOM 0 HA ALA A 6 0.853 1.350 -9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.462 -0.541 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.369 -0.625 -9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.165 -0.028 -8.366 1.00 0.00 H new ATOM 112 N MET A 7 2.514 2.123 -7.066 1.00 0.00 N ATOM 113 CA MET A 7 2.352 2.850 -5.774 1.00 0.00 C ATOM 114 C MET A 7 1.880 4.276 -6.043 1.00 0.00 C ATOM 115 O MET A 7 0.884 4.729 -5.511 1.00 0.00 O ATOM 116 CB MET A 7 3.697 2.892 -5.046 1.00 0.00 C ATOM 117 CG MET A 7 3.469 3.229 -3.571 1.00 0.00 C ATOM 118 SD MET A 7 2.516 1.901 -2.792 1.00 0.00 S ATOM 119 CE MET A 7 1.976 2.831 -1.334 1.00 0.00 C ATOM 0 H MET A 7 3.399 1.628 -7.176 1.00 0.00 H new ATOM 0 HA MET A 7 1.615 2.335 -5.158 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.202 1.930 -5.136 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.347 3.637 -5.504 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.425 3.352 -3.063 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.936 4.175 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.173 2.289 -0.834 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.815 2.952 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.615 3.812 -1.642 1.00 0.00 H new ATOM 129 N VAL A 8 2.592 4.987 -6.864 1.00 0.00 N ATOM 130 CA VAL A 8 2.199 6.389 -7.172 1.00 0.00 C ATOM 131 C VAL A 8 0.763 6.420 -7.705 1.00 0.00 C ATOM 132 O VAL A 8 0.023 7.350 -7.457 1.00 0.00 O ATOM 133 CB VAL A 8 3.152 6.965 -8.220 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.915 8.470 -8.349 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.598 6.715 -7.786 1.00 0.00 C ATOM 0 H VAL A 8 3.433 4.659 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 8 2.254 6.988 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 8 2.971 6.483 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.594 8.882 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.885 8.651 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.098 8.951 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.278 7.125 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.779 7.199 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.769 5.643 -7.690 1.00 0.00 H new ATOM 145 N ALA A 9 0.358 5.409 -8.430 1.00 0.00 N ATOM 146 CA ALA A 9 -1.036 5.395 -8.963 1.00 0.00 C ATOM 147 C ALA A 9 -2.016 5.429 -7.791 1.00 0.00 C ATOM 148 O ALA A 9 -3.064 6.041 -7.861 1.00 0.00 O ATOM 149 CB ALA A 9 -1.259 4.123 -9.785 1.00 0.00 C ATOM 0 H ALA A 9 0.928 4.599 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.196 6.264 -9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.277 4.115 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.554 4.098 -10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.105 3.249 -9.152 1.00 0.00 H new ATOM 155 N LEU A 10 -1.681 4.785 -6.705 1.00 0.00 N ATOM 156 CA LEU A 10 -2.591 4.792 -5.527 1.00 0.00 C ATOM 157 C LEU A 10 -2.814 6.239 -5.086 1.00 0.00 C ATOM 158 O LEU A 10 -3.933 6.682 -4.912 1.00 0.00 O ATOM 159 CB LEU A 10 -1.955 4.000 -4.384 1.00 0.00 C ATOM 160 CG LEU A 10 -2.872 2.840 -3.997 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.084 1.823 -3.169 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.043 3.373 -3.169 1.00 0.00 C ATOM 0 H LEU A 10 -0.818 4.256 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.544 4.334 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.980 3.621 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.790 4.650 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.252 2.359 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.737 0.995 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.248 1.445 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.705 2.304 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.698 2.547 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.662 3.853 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.604 4.099 -3.757 1.00 0.00 H new ATOM 174 N ILE A 11 -1.756 6.985 -4.918 1.00 0.00 N ATOM 175 CA ILE A 11 -1.907 8.407 -4.505 1.00 0.00 C ATOM 176 C ILE A 11 -2.920 9.080 -5.433 1.00 0.00 C ATOM 177 O ILE A 11 -3.586 10.028 -5.066 1.00 0.00 O ATOM 178 CB ILE A 11 -0.557 9.116 -4.622 1.00 0.00 C ATOM 179 CG1 ILE A 11 0.423 8.525 -3.605 1.00 0.00 C ATOM 180 CG2 ILE A 11 -0.734 10.610 -4.344 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.700 9.364 -3.578 1.00 0.00 C ATOM 0 H ILE A 11 -0.795 6.670 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.253 8.463 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.166 8.977 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.032 8.505 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.659 7.494 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.230 11.112 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.429 11.035 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.129 10.749 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.397 8.943 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.158 9.361 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.457 10.388 -3.294 1.00 0.00 H new ATOM 193 N ASP A 12 -3.036 8.587 -6.635 1.00 0.00 N ATOM 194 CA ASP A 12 -3.998 9.179 -7.606 1.00 0.00 C ATOM 195 C ASP A 12 -5.428 8.826 -7.193 1.00 0.00 C ATOM 196 O ASP A 12 -6.309 9.662 -7.190 1.00 0.00 O ATOM 197 CB ASP A 12 -3.713 8.609 -8.998 1.00 0.00 C ATOM 198 CG ASP A 12 -4.232 9.573 -10.066 1.00 0.00 C ATOM 199 OD1 ASP A 12 -3.887 10.742 -9.997 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.964 9.127 -10.934 1.00 0.00 O ATOM 0 H ASP A 12 -2.501 7.793 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.887 10.263 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.642 8.453 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.192 7.636 -9.108 1.00 0.00 H new ATOM 205 N VAL A 13 -5.663 7.590 -6.848 1.00 0.00 N ATOM 206 CA VAL A 13 -7.037 7.177 -6.439 1.00 0.00 C ATOM 207 C VAL A 13 -7.575 8.149 -5.383 1.00 0.00 C ATOM 208 O VAL A 13 -8.702 8.595 -5.456 1.00 0.00 O ATOM 209 CB VAL A 13 -6.996 5.757 -5.860 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.281 5.476 -5.078 1.00 0.00 C ATOM 211 CG2 VAL A 13 -6.878 4.747 -7.003 1.00 0.00 C ATOM 0 H VAL A 13 -4.964 6.848 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.693 7.193 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.138 5.668 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.245 4.466 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.375 6.194 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.139 5.568 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.849 3.737 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.738 4.845 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.963 4.938 -7.564 1.00 0.00 H new ATOM 221 N PHE A 14 -6.785 8.477 -4.399 1.00 0.00 N ATOM 222 CA PHE A 14 -7.269 9.415 -3.344 1.00 0.00 C ATOM 223 C PHE A 14 -7.617 10.763 -3.978 1.00 0.00 C ATOM 224 O PHE A 14 -8.609 11.379 -3.644 1.00 0.00 O ATOM 225 CB PHE A 14 -6.184 9.614 -2.285 1.00 0.00 C ATOM 226 CG PHE A 14 -6.805 9.503 -0.913 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.708 8.470 -0.637 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.483 10.435 0.081 1.00 0.00 C ATOM 229 CE1 PHE A 14 -8.288 8.368 0.633 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.064 10.334 1.352 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.967 9.301 1.628 1.00 0.00 C ATOM 0 H PHE A 14 -5.830 8.139 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.157 8.994 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.400 8.866 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.714 10.590 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.957 7.752 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.786 11.232 -0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.983 7.570 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.815 11.053 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.416 9.223 2.607 1.00 0.00 H new ATOM 241 N HIS A 15 -6.810 11.225 -4.892 1.00 0.00 N ATOM 242 CA HIS A 15 -7.102 12.530 -5.546 1.00 0.00 C ATOM 243 C HIS A 15 -8.331 12.380 -6.445 1.00 0.00 C ATOM 244 O HIS A 15 -8.963 13.348 -6.816 1.00 0.00 O ATOM 245 CB HIS A 15 -5.898 12.955 -6.391 1.00 0.00 C ATOM 246 CG HIS A 15 -6.107 14.358 -6.887 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.711 15.334 -6.110 1.00 0.00 N ATOM 248 CD2 HIS A 15 -5.800 14.964 -8.080 1.00 0.00 C ATOM 249 CE1 HIS A 15 -6.749 16.466 -6.837 1.00 0.00 C ATOM 250 NE2 HIS A 15 -6.207 16.295 -8.046 1.00 0.00 N ATOM 0 H HIS A 15 -5.963 10.756 -5.214 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.297 13.287 -4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.985 12.899 -5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.772 12.275 -7.233 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.317 14.482 -8.917 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.166 17.398 -6.486 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.112 16.991 -8.786 1.00 0.00 H new ATOM 258 N GLN A 16 -8.672 11.170 -6.799 1.00 0.00 N ATOM 259 CA GLN A 16 -9.856 10.950 -7.675 1.00 0.00 C ATOM 260 C GLN A 16 -11.083 10.643 -6.812 1.00 0.00 C ATOM 261 O GLN A 16 -11.929 11.487 -6.595 1.00 0.00 O ATOM 262 CB GLN A 16 -9.577 9.768 -8.607 1.00 0.00 C ATOM 263 CG GLN A 16 -10.854 9.395 -9.362 1.00 0.00 C ATOM 264 CD GLN A 16 -10.496 8.549 -10.586 1.00 0.00 C ATOM 265 OE1 GLN A 16 -9.987 9.060 -11.564 1.00 0.00 O ATOM 266 NE2 GLN A 16 -10.742 7.267 -10.574 1.00 0.00 N ATOM 0 H GLN A 16 -8.179 10.323 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.047 11.846 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.788 10.027 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.221 8.914 -8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.527 8.840 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.382 10.297 -9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.169 6.837 -9.753 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.507 6.695 -11.385 1.00 0.00 H new ATOM 275 N TYR A 17 -11.186 9.438 -6.324 1.00 0.00 N ATOM 276 CA TYR A 17 -12.356 9.070 -5.476 1.00 0.00 C ATOM 277 C TYR A 17 -12.654 10.201 -4.486 1.00 0.00 C ATOM 278 O TYR A 17 -13.770 10.670 -4.385 1.00 0.00 O ATOM 279 CB TYR A 17 -12.039 7.788 -4.702 1.00 0.00 C ATOM 280 CG TYR A 17 -12.601 6.599 -5.447 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.869 6.014 -6.489 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.854 6.082 -5.096 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.391 4.912 -7.180 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.376 4.980 -5.787 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.644 4.396 -6.829 1.00 0.00 C ATOM 286 OH TYR A 17 -14.159 3.311 -7.510 1.00 0.00 O ATOM 0 H TYR A 17 -10.509 8.690 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.226 8.909 -6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.961 7.680 -4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -12.467 7.839 -3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.902 6.412 -6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.418 6.532 -4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.827 4.461 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.342 4.581 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.256 2.555 -6.895 1.00 0.00 H new ATOM 296 N SER A 18 -11.666 10.642 -3.753 1.00 0.00 N ATOM 297 CA SER A 18 -11.898 11.741 -2.770 1.00 0.00 C ATOM 298 C SER A 18 -12.142 13.053 -3.517 1.00 0.00 C ATOM 299 O SER A 18 -12.863 13.917 -3.056 1.00 0.00 O ATOM 300 CB SER A 18 -10.669 11.889 -1.872 1.00 0.00 C ATOM 301 OG SER A 18 -11.081 12.303 -0.576 1.00 0.00 O ATOM 0 H SER A 18 -10.710 10.289 -3.792 1.00 0.00 H new ATOM 0 HA SER A 18 -12.769 11.503 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.133 10.942 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.979 12.618 -2.297 1.00 0.00 H new ATOM 0 HG SER A 18 -10.296 12.397 0.002 1.00 0.00 H new ATOM 394 N HIS A 25 -9.199 15.547 0.483 1.00 0.00 N ATOM 395 CA HIS A 25 -8.101 14.971 1.314 1.00 0.00 C ATOM 396 C HIS A 25 -8.692 14.056 2.389 1.00 0.00 C ATOM 397 O HIS A 25 -8.044 13.733 3.366 1.00 0.00 O ATOM 398 CB HIS A 25 -7.324 16.105 1.987 1.00 0.00 C ATOM 399 CG HIS A 25 -7.252 17.282 1.053 1.00 0.00 C ATOM 400 ND1 HIS A 25 -6.329 17.350 0.022 1.00 0.00 N ATOM 401 CD2 HIS A 25 -7.987 18.440 0.979 1.00 0.00 C ATOM 402 CE1 HIS A 25 -6.529 18.512 -0.624 1.00 0.00 C ATOM 403 NE2 HIS A 25 -7.528 19.216 -0.082 1.00 0.00 N ATOM 0 HA HIS A 25 -7.431 14.394 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.813 16.394 2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.320 15.770 2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.797 18.707 1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.953 18.837 -1.477 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -7.879 20.126 -0.381 1.00 0.00 H new ATOM 411 N LYS A 26 -9.914 13.634 2.222 1.00 0.00 N ATOM 412 CA LYS A 26 -10.536 12.740 3.240 1.00 0.00 C ATOM 413 C LYS A 26 -11.558 11.829 2.562 1.00 0.00 C ATOM 414 O LYS A 26 -12.405 12.277 1.814 1.00 0.00 O ATOM 415 CB LYS A 26 -11.234 13.581 4.314 1.00 0.00 C ATOM 416 CG LYS A 26 -11.697 14.909 3.712 1.00 0.00 C ATOM 417 CD LYS A 26 -10.699 16.009 4.076 1.00 0.00 C ATOM 418 CE LYS A 26 -11.155 16.709 5.359 1.00 0.00 C ATOM 419 NZ LYS A 26 -10.021 16.766 6.325 1.00 0.00 N ATOM 0 H LYS A 26 -10.508 13.868 1.427 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.760 12.134 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.088 13.037 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.552 13.766 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.778 14.821 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.688 15.164 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.706 15.582 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.624 16.731 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.504 17.716 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.995 16.172 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.331 17.242 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.708 15.800 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.232 17.296 5.903 1.00 0.00 H new ATOM 433 N LEU A 27 -11.487 10.553 2.817 1.00 0.00 N ATOM 434 CA LEU A 27 -12.456 9.615 2.191 1.00 0.00 C ATOM 435 C LEU A 27 -13.569 9.297 3.189 1.00 0.00 C ATOM 436 O LEU A 27 -13.717 9.954 4.201 1.00 0.00 O ATOM 437 CB LEU A 27 -11.735 8.322 1.801 1.00 0.00 C ATOM 438 CG LEU A 27 -12.258 7.827 0.451 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.758 8.752 -0.661 1.00 0.00 C ATOM 440 CD2 LEU A 27 -11.750 6.407 0.197 1.00 0.00 C ATOM 0 H LEU A 27 -10.799 10.120 3.433 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.885 10.074 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.661 8.496 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.894 7.561 2.565 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.348 7.828 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.131 8.399 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.119 9.765 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.668 8.752 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.122 6.054 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.660 6.407 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.105 5.747 0.988 1.00 0.00 H new ATOM 452 N LYS A 28 -14.353 8.293 2.913 1.00 0.00 N ATOM 453 CA LYS A 28 -15.456 7.926 3.844 1.00 0.00 C ATOM 454 C LYS A 28 -15.398 6.423 4.111 1.00 0.00 C ATOM 455 O LYS A 28 -15.233 5.637 3.207 1.00 0.00 O ATOM 456 CB LYS A 28 -16.797 8.280 3.204 1.00 0.00 C ATOM 457 CG LYS A 28 -17.565 9.237 4.120 1.00 0.00 C ATOM 458 CD LYS A 28 -19.020 9.321 3.654 1.00 0.00 C ATOM 459 CE LYS A 28 -19.069 9.938 2.256 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.434 10.476 1.999 1.00 0.00 N ATOM 0 H LYS A 28 -14.277 7.709 2.080 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.349 8.471 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.636 8.743 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.381 7.375 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.521 8.886 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.106 10.226 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.468 8.327 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.603 9.924 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.330 10.735 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.815 9.188 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.468 10.896 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.129 9.705 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.659 11.204 2.707 1.00 0.00 H new ATOM 474 N LYS A 29 -15.511 6.021 5.345 1.00 0.00 N ATOM 475 CA LYS A 29 -15.442 4.562 5.664 1.00 0.00 C ATOM 476 C LYS A 29 -16.213 3.743 4.620 1.00 0.00 C ATOM 477 O LYS A 29 -15.883 2.604 4.351 1.00 0.00 O ATOM 478 CB LYS A 29 -16.022 4.277 7.064 1.00 0.00 C ATOM 479 CG LYS A 29 -16.984 5.389 7.518 1.00 0.00 C ATOM 480 CD LYS A 29 -18.239 5.388 6.642 1.00 0.00 C ATOM 481 CE LYS A 29 -18.367 6.729 5.923 1.00 0.00 C ATOM 482 NZ LYS A 29 -19.071 7.696 6.813 1.00 0.00 N ATOM 0 H LYS A 29 -15.648 6.635 6.148 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.392 4.270 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.548 3.323 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.208 4.184 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.259 5.239 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.488 6.358 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.185 4.578 5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.122 5.208 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.380 7.110 5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.919 6.605 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.642 8.346 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -19.691 7.178 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.371 8.240 7.357 1.00 0.00 H new ATOM 496 N SER A 30 -17.237 4.298 4.035 1.00 0.00 N ATOM 497 CA SER A 30 -18.019 3.529 3.022 1.00 0.00 C ATOM 498 C SER A 30 -17.296 3.550 1.673 1.00 0.00 C ATOM 499 O SER A 30 -17.236 2.557 0.978 1.00 0.00 O ATOM 500 CB SER A 30 -19.409 4.149 2.871 1.00 0.00 C ATOM 501 OG SER A 30 -20.270 3.221 2.224 1.00 0.00 O ATOM 0 H SER A 30 -17.567 5.247 4.212 1.00 0.00 H new ATOM 0 HA SER A 30 -18.116 2.496 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.810 4.413 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.348 5.070 2.292 1.00 0.00 H new ATOM 0 HG SER A 30 -21.162 3.615 2.127 1.00 0.00 H new ATOM 507 N GLU A 31 -16.742 4.670 1.293 1.00 0.00 N ATOM 508 CA GLU A 31 -16.023 4.734 -0.006 1.00 0.00 C ATOM 509 C GLU A 31 -14.705 3.977 0.126 1.00 0.00 C ATOM 510 O GLU A 31 -14.094 3.612 -0.853 1.00 0.00 O ATOM 511 CB GLU A 31 -15.745 6.194 -0.371 1.00 0.00 C ATOM 512 CG GLU A 31 -15.492 6.305 -1.877 1.00 0.00 C ATOM 513 CD GLU A 31 -16.824 6.496 -2.607 1.00 0.00 C ATOM 514 OE1 GLU A 31 -17.673 5.630 -2.484 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.970 7.504 -3.277 1.00 0.00 O ATOM 0 H GLU A 31 -16.758 5.539 1.826 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.633 4.284 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.592 6.819 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.880 6.560 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.828 7.145 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.992 5.407 -2.240 1.00 0.00 H new ATOM 522 N LEU A 32 -14.277 3.723 1.336 1.00 0.00 N ATOM 523 CA LEU A 32 -13.014 2.965 1.537 1.00 0.00 C ATOM 524 C LEU A 32 -13.335 1.482 1.391 1.00 0.00 C ATOM 525 O LEU A 32 -12.759 0.783 0.579 1.00 0.00 O ATOM 526 CB LEU A 32 -12.461 3.241 2.939 1.00 0.00 C ATOM 527 CG LEU A 32 -11.221 2.376 3.178 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.246 2.544 2.010 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.538 2.812 4.477 1.00 0.00 C ATOM 0 H LEU A 32 -14.751 4.010 2.192 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.266 3.268 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.206 4.296 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.220 3.023 3.690 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.518 1.330 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.363 1.928 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.731 2.234 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.949 3.590 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.655 2.197 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.242 3.858 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.231 2.692 5.310 1.00 0.00 H new ATOM 541 N LYS A 33 -14.279 1.006 2.157 1.00 0.00 N ATOM 542 CA LYS A 33 -14.674 -0.422 2.050 1.00 0.00 C ATOM 543 C LYS A 33 -15.049 -0.694 0.599 1.00 0.00 C ATOM 544 O LYS A 33 -14.783 -1.747 0.053 1.00 0.00 O ATOM 545 CB LYS A 33 -15.886 -0.673 2.946 1.00 0.00 C ATOM 546 CG LYS A 33 -15.922 -2.145 3.357 1.00 0.00 C ATOM 547 CD LYS A 33 -17.286 -2.472 3.966 1.00 0.00 C ATOM 548 CE LYS A 33 -17.377 -3.976 4.228 1.00 0.00 C ATOM 549 NZ LYS A 33 -18.234 -4.221 5.423 1.00 0.00 N ATOM 0 H LYS A 33 -14.793 1.547 2.852 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.858 -1.075 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.835 -0.039 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.802 -0.410 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.737 -2.780 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.131 -2.352 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.423 -1.921 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.083 -2.160 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.794 -4.483 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.381 -4.389 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.644 -4.559 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.706 -3.336 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.951 -4.939 5.195 1.00 0.00 H new ATOM 563 N GLU A 34 -15.658 0.271 -0.025 1.00 0.00 N ATOM 564 CA GLU A 34 -16.058 0.123 -1.450 1.00 0.00 C ATOM 565 C GLU A 34 -14.807 0.221 -2.326 1.00 0.00 C ATOM 566 O GLU A 34 -14.679 -0.450 -3.328 1.00 0.00 O ATOM 567 CB GLU A 34 -17.028 1.251 -1.811 1.00 0.00 C ATOM 568 CG GLU A 34 -18.464 0.733 -1.734 1.00 0.00 C ATOM 569 CD GLU A 34 -19.117 0.828 -3.114 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.770 1.735 -3.851 1.00 0.00 O ATOM 571 OE2 GLU A 34 -19.954 -0.009 -3.411 1.00 0.00 O ATOM 0 H GLU A 34 -15.899 1.168 0.397 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.542 -0.840 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.896 2.091 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -16.816 1.620 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -18.471 -0.300 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -19.033 1.316 -1.010 1.00 0.00 H new ATOM 578 N LEU A 35 -13.883 1.050 -1.939 1.00 0.00 N ATOM 579 CA LEU A 35 -12.627 1.206 -2.725 1.00 0.00 C ATOM 580 C LEU A 35 -11.931 -0.153 -2.851 1.00 0.00 C ATOM 581 O LEU A 35 -11.371 -0.486 -3.877 1.00 0.00 O ATOM 582 CB LEU A 35 -11.703 2.184 -1.992 1.00 0.00 C ATOM 583 CG LEU A 35 -11.023 3.108 -3.004 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.376 2.268 -4.108 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.064 4.045 -3.622 1.00 0.00 C ATOM 0 H LEU A 35 -13.943 1.633 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.858 1.587 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.276 2.773 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.952 1.634 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.258 3.697 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.891 2.926 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.634 1.601 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.141 1.678 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.579 4.703 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.830 3.456 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.526 4.644 -2.837 1.00 0.00 H new ATOM 597 N ILE A 36 -11.954 -0.932 -1.805 1.00 0.00 N ATOM 598 CA ILE A 36 -11.284 -2.267 -1.844 1.00 0.00 C ATOM 599 C ILE A 36 -12.180 -3.302 -2.536 1.00 0.00 C ATOM 600 O ILE A 36 -11.758 -3.994 -3.442 1.00 0.00 O ATOM 601 CB ILE A 36 -10.991 -2.733 -0.413 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.792 -1.514 0.498 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.724 -3.592 -0.410 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.134 -1.947 1.811 1.00 0.00 C ATOM 0 H ILE A 36 -12.409 -0.703 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.355 -2.173 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.831 -3.321 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.170 -0.772 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.752 -1.040 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.513 -3.925 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.871 -4.460 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.885 -3.004 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.996 -1.077 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.772 -2.673 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.165 -2.400 1.600 1.00 0.00 H new ATOM 616 N ASN A 37 -13.401 -3.435 -2.095 1.00 0.00 N ATOM 617 CA ASN A 37 -14.315 -4.449 -2.703 1.00 0.00 C ATOM 618 C ASN A 37 -14.815 -3.986 -4.076 1.00 0.00 C ATOM 619 O ASN A 37 -15.548 -4.690 -4.743 1.00 0.00 O ATOM 620 CB ASN A 37 -15.513 -4.664 -1.776 1.00 0.00 C ATOM 621 CG ASN A 37 -16.347 -5.843 -2.282 1.00 0.00 C ATOM 622 OD1 ASN A 37 -17.055 -5.723 -3.263 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.293 -6.984 -1.652 1.00 0.00 N ATOM 0 H ASN A 37 -13.808 -2.885 -1.338 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.763 -5.380 -2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.169 -4.858 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.124 -3.762 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.845 -7.776 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.699 -7.085 -0.829 1.00 0.00 H new ATOM 630 N ASN A 38 -14.436 -2.818 -4.509 1.00 0.00 N ATOM 631 CA ASN A 38 -14.909 -2.340 -5.842 1.00 0.00 C ATOM 632 C ASN A 38 -13.734 -2.299 -6.823 1.00 0.00 C ATOM 633 O ASN A 38 -13.712 -3.010 -7.809 1.00 0.00 O ATOM 634 CB ASN A 38 -15.515 -0.940 -5.701 1.00 0.00 C ATOM 635 CG ASN A 38 -16.425 -0.653 -6.897 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.505 -1.201 -7.000 1.00 0.00 O ATOM 637 ND2 ASN A 38 -16.035 0.194 -7.811 1.00 0.00 N ATOM 0 H ASN A 38 -13.824 -2.176 -4.005 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.668 -3.024 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.083 -0.870 -4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.723 -0.193 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.636 0.395 -8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.129 0.655 -7.726 1.00 0.00 H new ATOM 644 N GLU A 39 -12.759 -1.474 -6.563 1.00 0.00 N ATOM 645 CA GLU A 39 -11.591 -1.393 -7.485 1.00 0.00 C ATOM 646 C GLU A 39 -10.849 -2.731 -7.494 1.00 0.00 C ATOM 647 O GLU A 39 -10.674 -3.347 -8.528 1.00 0.00 O ATOM 648 CB GLU A 39 -10.644 -0.286 -7.016 1.00 0.00 C ATOM 649 CG GLU A 39 -10.940 1.003 -7.786 1.00 0.00 C ATOM 650 CD GLU A 39 -12.449 1.256 -7.806 1.00 0.00 C ATOM 651 OE1 GLU A 39 -13.033 1.327 -6.736 1.00 0.00 O ATOM 652 OE2 GLU A 39 -12.994 1.376 -8.891 1.00 0.00 O ATOM 0 H GLU A 39 -12.720 -0.854 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.942 -1.168 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.766 -0.118 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.609 -0.587 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.427 1.843 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.561 0.925 -8.805 1.00 0.00 H new ATOM 659 N LEU A 40 -10.408 -3.188 -6.352 1.00 0.00 N ATOM 660 CA LEU A 40 -9.679 -4.486 -6.308 1.00 0.00 C ATOM 661 C LEU A 40 -10.678 -5.633 -6.499 1.00 0.00 C ATOM 662 O LEU A 40 -11.101 -5.911 -7.604 1.00 0.00 O ATOM 663 CB LEU A 40 -8.965 -4.625 -4.960 1.00 0.00 C ATOM 664 CG LEU A 40 -7.557 -4.038 -5.066 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.002 -3.766 -3.664 1.00 0.00 C ATOM 666 CD2 LEU A 40 -6.646 -5.034 -5.791 1.00 0.00 C ATOM 0 H LEU A 40 -10.521 -2.720 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.937 -4.522 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.528 -4.108 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.912 -5.675 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.596 -3.103 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.999 -3.348 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.650 -3.058 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.962 -4.699 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.641 -4.618 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.610 -5.968 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.038 -5.225 -6.790 1.00 0.00 H new ATOM 678 N SER A 41 -11.063 -6.295 -5.436 1.00 0.00 N ATOM 679 CA SER A 41 -12.038 -7.419 -5.562 1.00 0.00 C ATOM 680 C SER A 41 -11.734 -8.239 -6.821 1.00 0.00 C ATOM 681 O SER A 41 -12.261 -7.976 -7.884 1.00 0.00 O ATOM 682 CB SER A 41 -13.455 -6.852 -5.654 1.00 0.00 C ATOM 683 OG SER A 41 -14.395 -7.905 -5.482 1.00 0.00 O ATOM 0 H SER A 41 -10.743 -6.104 -4.486 1.00 0.00 H new ATOM 0 HA SER A 41 -11.955 -8.065 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.604 -6.088 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.604 -6.370 -6.620 1.00 0.00 H new ATOM 0 HG SER A 41 -15.304 -7.544 -5.539 1.00 0.00 H new ATOM 689 N HIS A 42 -10.890 -9.229 -6.713 1.00 0.00 N ATOM 690 CA HIS A 42 -10.561 -10.057 -7.909 1.00 0.00 C ATOM 691 C HIS A 42 -9.820 -11.324 -7.474 1.00 0.00 C ATOM 692 O HIS A 42 -10.264 -12.428 -7.721 1.00 0.00 O ATOM 693 CB HIS A 42 -9.675 -9.251 -8.861 1.00 0.00 C ATOM 694 CG HIS A 42 -10.142 -9.456 -10.276 1.00 0.00 C ATOM 695 ND1 HIS A 42 -9.362 -9.112 -11.369 1.00 0.00 N ATOM 696 CD2 HIS A 42 -11.307 -9.966 -10.794 1.00 0.00 C ATOM 697 CE1 HIS A 42 -10.060 -9.418 -12.479 1.00 0.00 C ATOM 698 NE2 HIS A 42 -11.252 -9.942 -12.185 1.00 0.00 N ATOM 0 H HIS A 42 -10.415 -9.500 -5.852 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.484 -10.336 -8.417 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.715 -8.193 -8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -8.636 -9.565 -8.761 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.140 -10.330 -10.211 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.699 -9.259 -13.485 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.969 -10.257 -12.839 1.00 0.00 H new ATOM 706 N PHE A 43 -8.692 -11.176 -6.834 1.00 0.00 N ATOM 707 CA PHE A 43 -7.925 -12.376 -6.394 1.00 0.00 C ATOM 708 C PHE A 43 -8.401 -12.814 -5.006 1.00 0.00 C ATOM 709 O PHE A 43 -7.686 -13.468 -4.274 1.00 0.00 O ATOM 710 CB PHE A 43 -6.432 -12.040 -6.341 1.00 0.00 C ATOM 711 CG PHE A 43 -6.215 -10.819 -5.479 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.124 -10.951 -4.088 1.00 0.00 C ATOM 713 CD2 PHE A 43 -6.105 -9.556 -6.071 1.00 0.00 C ATOM 714 CE1 PHE A 43 -5.923 -9.818 -3.288 1.00 0.00 C ATOM 715 CE2 PHE A 43 -5.903 -8.424 -5.272 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.812 -8.554 -3.881 1.00 0.00 C ATOM 0 H PHE A 43 -8.269 -10.278 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.089 -13.187 -7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.873 -12.885 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.054 -11.858 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.209 -11.926 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.176 -9.454 -7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.854 -9.919 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.817 -7.449 -5.729 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.656 -7.680 -3.266 1.00 0.00 H new ATOM 726 N LEU A 44 -9.606 -12.468 -4.641 1.00 0.00 N ATOM 727 CA LEU A 44 -10.125 -12.877 -3.305 1.00 0.00 C ATOM 728 C LEU A 44 -10.766 -14.261 -3.426 1.00 0.00 C ATOM 729 O LEU A 44 -11.639 -14.480 -4.244 1.00 0.00 O ATOM 730 CB LEU A 44 -11.171 -11.867 -2.824 1.00 0.00 C ATOM 731 CG LEU A 44 -10.669 -11.175 -1.555 1.00 0.00 C ATOM 732 CD1 LEU A 44 -9.499 -10.257 -1.907 1.00 0.00 C ATOM 733 CD2 LEU A 44 -11.800 -10.347 -0.942 1.00 0.00 C ATOM 0 H LEU A 44 -10.252 -11.921 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.306 -12.909 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.363 -11.128 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.116 -12.373 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.340 -11.926 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.140 -9.763 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.693 -10.846 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.829 -9.506 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.442 -9.854 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.130 -9.595 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.635 -11.001 -0.692 1.00 0.00 H new ATOM 745 N GLU A 45 -10.337 -15.199 -2.627 1.00 0.00 N ATOM 746 CA GLU A 45 -10.923 -16.565 -2.708 1.00 0.00 C ATOM 747 C GLU A 45 -11.323 -17.039 -1.311 1.00 0.00 C ATOM 748 O GLU A 45 -12.482 -17.020 -0.945 1.00 0.00 O ATOM 749 CB GLU A 45 -9.891 -17.528 -3.302 1.00 0.00 C ATOM 750 CG GLU A 45 -9.624 -17.154 -4.762 1.00 0.00 C ATOM 751 CD GLU A 45 -9.725 -18.405 -5.640 1.00 0.00 C ATOM 752 OE1 GLU A 45 -9.041 -19.370 -5.342 1.00 0.00 O ATOM 753 OE2 GLU A 45 -10.486 -18.375 -6.593 1.00 0.00 O ATOM 0 H GLU A 45 -9.608 -15.078 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.807 -16.542 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.965 -17.484 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.256 -18.553 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.344 -16.406 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.634 -16.709 -4.859 1.00 0.00 H new ATOM 760 N GLU A 46 -10.374 -17.468 -0.528 1.00 0.00 N ATOM 761 CA GLU A 46 -10.699 -17.951 0.846 1.00 0.00 C ATOM 762 C GLU A 46 -10.234 -16.926 1.885 1.00 0.00 C ATOM 763 O GLU A 46 -10.725 -16.889 2.996 1.00 0.00 O ATOM 764 CB GLU A 46 -9.988 -19.283 1.097 1.00 0.00 C ATOM 765 CG GLU A 46 -8.488 -19.116 0.843 1.00 0.00 C ATOM 766 CD GLU A 46 -7.727 -20.285 1.473 1.00 0.00 C ATOM 767 OE1 GLU A 46 -7.886 -20.495 2.666 1.00 0.00 O ATOM 768 OE2 GLU A 46 -6.999 -20.949 0.753 1.00 0.00 O ATOM 0 H GLU A 46 -9.386 -17.506 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.777 -18.085 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.160 -19.612 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.395 -20.054 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.293 -19.077 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.140 -18.173 1.265 1.00 0.00 H new ATOM 775 N ILE A 47 -9.290 -16.096 1.538 1.00 0.00 N ATOM 776 CA ILE A 47 -8.797 -15.083 2.517 1.00 0.00 C ATOM 777 C ILE A 47 -8.211 -15.804 3.734 1.00 0.00 C ATOM 778 O ILE A 47 -8.900 -16.075 4.697 1.00 0.00 O ATOM 779 CB ILE A 47 -9.959 -14.193 2.963 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.791 -13.788 1.742 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.411 -12.936 3.642 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.092 -13.130 2.208 1.00 0.00 C ATOM 0 H ILE A 47 -8.839 -16.074 0.623 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.029 -14.466 2.050 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.585 -14.743 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.226 -13.098 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.012 -14.664 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.240 -12.303 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.819 -13.221 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.784 -12.387 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.685 -12.841 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.659 -13.835 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.860 -12.244 2.800 1.00 0.00 H new ATOM 794 N LYS A 48 -6.945 -16.125 3.696 1.00 0.00 N ATOM 795 CA LYS A 48 -6.324 -16.837 4.848 1.00 0.00 C ATOM 796 C LYS A 48 -6.183 -15.883 6.037 1.00 0.00 C ATOM 797 O LYS A 48 -6.285 -16.286 7.179 1.00 0.00 O ATOM 798 CB LYS A 48 -4.945 -17.362 4.445 1.00 0.00 C ATOM 799 CG LYS A 48 -4.755 -18.773 5.007 1.00 0.00 C ATOM 800 CD LYS A 48 -3.550 -19.437 4.336 1.00 0.00 C ATOM 801 CE LYS A 48 -3.301 -20.807 4.970 1.00 0.00 C ATOM 802 NZ LYS A 48 -2.042 -21.388 4.420 1.00 0.00 N ATOM 0 H LYS A 48 -6.316 -15.925 2.918 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.961 -17.674 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.852 -17.375 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.166 -16.700 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.604 -18.728 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.652 -19.367 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.731 -19.547 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.667 -18.808 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.227 -20.710 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.140 -21.472 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.872 -22.319 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.130 -21.494 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.245 -20.756 4.636 1.00 0.00 H new ATOM 816 N GLU A 49 -5.946 -14.623 5.789 1.00 0.00 N ATOM 817 CA GLU A 49 -5.801 -13.662 6.918 1.00 0.00 C ATOM 818 C GLU A 49 -7.181 -13.152 7.333 1.00 0.00 C ATOM 819 O GLU A 49 -7.460 -11.972 7.274 1.00 0.00 O ATOM 820 CB GLU A 49 -4.930 -12.479 6.489 1.00 0.00 C ATOM 821 CG GLU A 49 -3.462 -12.800 6.779 1.00 0.00 C ATOM 822 CD GLU A 49 -3.187 -12.615 8.272 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.131 -12.354 9.002 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.037 -12.736 8.662 1.00 0.00 O ATOM 0 H GLU A 49 -5.847 -14.220 4.857 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.328 -14.168 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.067 -12.278 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.230 -11.579 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.236 -13.824 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.813 -12.147 6.195 1.00 0.00 H new ATOM 831 N GLN A 50 -8.046 -14.032 7.753 1.00 0.00 N ATOM 832 CA GLN A 50 -9.403 -13.591 8.172 1.00 0.00 C ATOM 833 C GLN A 50 -9.268 -12.495 9.232 1.00 0.00 C ATOM 834 O GLN A 50 -10.170 -11.715 9.447 1.00 0.00 O ATOM 835 CB GLN A 50 -10.171 -14.778 8.758 1.00 0.00 C ATOM 836 CG GLN A 50 -11.648 -14.405 8.910 1.00 0.00 C ATOM 837 CD GLN A 50 -12.442 -15.632 9.360 1.00 0.00 C ATOM 838 OE1 GLN A 50 -12.458 -16.642 8.683 1.00 0.00 O ATOM 839 NE2 GLN A 50 -13.108 -15.588 10.482 1.00 0.00 N ATOM 0 H GLN A 50 -7.872 -15.035 7.824 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.945 -13.204 7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.069 -15.647 8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.753 -15.053 9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.758 -13.601 9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.039 -14.033 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.095 -14.741 11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.642 -16.401 10.791 1.00 0.00 H new ATOM 848 N GLU A 51 -8.144 -12.431 9.892 1.00 0.00 N ATOM 849 CA GLU A 51 -7.950 -11.384 10.937 1.00 0.00 C ATOM 850 C GLU A 51 -7.585 -10.056 10.271 1.00 0.00 C ATOM 851 O GLU A 51 -7.981 -8.998 10.716 1.00 0.00 O ATOM 852 CB GLU A 51 -6.826 -11.807 11.883 1.00 0.00 C ATOM 853 CG GLU A 51 -7.413 -12.143 13.256 1.00 0.00 C ATOM 854 CD GLU A 51 -6.296 -12.164 14.301 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.454 -11.282 14.256 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.302 -13.060 15.128 1.00 0.00 O ATOM 0 H GLU A 51 -7.351 -13.058 9.753 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.874 -11.263 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.302 -12.673 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.093 -11.005 11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.167 -11.406 13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.911 -13.112 13.222 1.00 0.00 H new ATOM 863 N VAL A 52 -6.829 -10.102 9.205 1.00 0.00 N ATOM 864 CA VAL A 52 -6.440 -8.841 8.513 1.00 0.00 C ATOM 865 C VAL A 52 -7.673 -8.222 7.856 1.00 0.00 C ATOM 866 O VAL A 52 -7.966 -7.057 8.039 1.00 0.00 O ATOM 867 CB VAL A 52 -5.393 -9.153 7.441 1.00 0.00 C ATOM 868 CG1 VAL A 52 -4.986 -7.867 6.722 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.160 -9.769 8.099 1.00 0.00 C ATOM 0 H VAL A 52 -6.465 -10.958 8.785 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.023 -8.140 9.236 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.817 -9.852 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.241 -8.096 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.862 -7.421 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.565 -7.165 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.414 -9.992 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.743 -9.066 8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.442 -10.689 8.610 1.00 0.00 H new ATOM 879 N VAL A 53 -8.398 -8.991 7.091 1.00 0.00 N ATOM 880 CA VAL A 53 -9.609 -8.440 6.424 1.00 0.00 C ATOM 881 C VAL A 53 -10.715 -8.233 7.457 1.00 0.00 C ATOM 882 O VAL A 53 -11.529 -7.347 7.330 1.00 0.00 O ATOM 883 CB VAL A 53 -10.089 -9.410 5.342 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.253 -8.781 4.573 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.941 -9.707 4.374 1.00 0.00 C ATOM 0 H VAL A 53 -8.204 -9.974 6.900 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.362 -7.483 5.964 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.419 -10.338 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.595 -9.472 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.072 -8.570 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.922 -7.853 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.284 -10.398 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.609 -8.779 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.111 -10.155 4.920 1.00 0.00 H new ATOM 895 N ASP A 54 -10.751 -9.034 8.484 1.00 0.00 N ATOM 896 CA ASP A 54 -11.807 -8.855 9.519 1.00 0.00 C ATOM 897 C ASP A 54 -11.398 -7.714 10.449 1.00 0.00 C ATOM 898 O ASP A 54 -12.212 -7.151 11.152 1.00 0.00 O ATOM 899 CB ASP A 54 -11.967 -10.142 10.330 1.00 0.00 C ATOM 900 CG ASP A 54 -13.161 -10.005 11.277 1.00 0.00 C ATOM 901 OD1 ASP A 54 -14.098 -9.310 10.922 1.00 0.00 O ATOM 902 OD2 ASP A 54 -13.118 -10.599 12.343 1.00 0.00 O ATOM 0 H ASP A 54 -10.099 -9.801 8.652 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.756 -8.621 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.116 -10.990 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.059 -10.341 10.899 1.00 0.00 H new ATOM 907 N LYS A 55 -10.138 -7.367 10.456 1.00 0.00 N ATOM 908 CA LYS A 55 -9.679 -6.258 11.337 1.00 0.00 C ATOM 909 C LYS A 55 -9.989 -4.919 10.667 1.00 0.00 C ATOM 910 O LYS A 55 -10.558 -4.031 11.272 1.00 0.00 O ATOM 911 CB LYS A 55 -8.171 -6.384 11.573 1.00 0.00 C ATOM 912 CG LYS A 55 -7.679 -5.191 12.397 1.00 0.00 C ATOM 913 CD LYS A 55 -7.077 -4.141 11.462 1.00 0.00 C ATOM 914 CE LYS A 55 -6.766 -2.870 12.256 1.00 0.00 C ATOM 915 NZ LYS A 55 -5.292 -2.654 12.284 1.00 0.00 N ATOM 0 H LYS A 55 -9.410 -7.803 9.891 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.197 -6.311 12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.951 -7.315 12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.645 -6.422 10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.505 -4.760 12.962 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.934 -5.518 13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.167 -4.527 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.773 -3.917 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.262 -2.013 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.151 -2.959 13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.061 -1.931 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.815 -3.545 12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.970 -2.335 11.348 1.00 0.00 H new ATOM 929 N VAL A 56 -9.630 -4.766 9.420 1.00 0.00 N ATOM 930 CA VAL A 56 -9.920 -3.485 8.723 1.00 0.00 C ATOM 931 C VAL A 56 -11.400 -3.456 8.350 1.00 0.00 C ATOM 932 O VAL A 56 -12.046 -2.427 8.386 1.00 0.00 O ATOM 933 CB VAL A 56 -9.069 -3.379 7.454 1.00 0.00 C ATOM 934 CG1 VAL A 56 -7.661 -2.908 7.819 1.00 0.00 C ATOM 935 CG2 VAL A 56 -8.986 -4.745 6.765 1.00 0.00 C ATOM 0 H VAL A 56 -9.151 -5.470 8.859 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.683 -2.647 9.378 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.530 -2.662 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.057 -2.833 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.717 -1.931 8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.204 -3.623 8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.379 -4.661 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.531 -5.467 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.989 -5.079 6.498 1.00 0.00 H new ATOM 945 N MET A 57 -11.940 -4.588 8.005 1.00 0.00 N ATOM 946 CA MET A 57 -13.380 -4.655 7.645 1.00 0.00 C ATOM 947 C MET A 57 -14.207 -4.465 8.915 1.00 0.00 C ATOM 948 O MET A 57 -15.339 -4.033 8.870 1.00 0.00 O ATOM 949 CB MET A 57 -13.684 -6.021 7.030 1.00 0.00 C ATOM 950 CG MET A 57 -15.078 -6.008 6.406 1.00 0.00 C ATOM 951 SD MET A 57 -15.039 -6.881 4.818 1.00 0.00 S ATOM 952 CE MET A 57 -14.135 -5.622 3.881 1.00 0.00 C ATOM 0 H MET A 57 -11.442 -5.477 7.957 1.00 0.00 H new ATOM 0 HA MET A 57 -13.626 -3.876 6.923 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.939 -6.263 6.272 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.625 -6.796 7.795 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.793 -6.484 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.413 -4.981 6.260 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.592 -5.501 2.899 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.171 -4.674 4.417 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.097 -5.933 3.762 1.00 0.00 H new ATOM 962 N GLU A 58 -13.644 -4.778 10.051 1.00 0.00 N ATOM 963 CA GLU A 58 -14.398 -4.599 11.326 1.00 0.00 C ATOM 964 C GLU A 58 -14.475 -3.105 11.645 1.00 0.00 C ATOM 965 O GLU A 58 -15.544 -2.554 11.814 1.00 0.00 O ATOM 966 CB GLU A 58 -13.680 -5.326 12.465 1.00 0.00 C ATOM 967 CG GLU A 58 -14.289 -6.718 12.642 1.00 0.00 C ATOM 968 CD GLU A 58 -13.485 -7.500 13.682 1.00 0.00 C ATOM 969 OE1 GLU A 58 -12.609 -6.908 14.292 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.759 -8.676 13.852 1.00 0.00 O ATOM 0 H GLU A 58 -12.699 -5.148 10.152 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.401 -5.013 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.616 -5.408 12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.772 -4.756 13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.328 -6.634 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.288 -7.250 11.691 1.00 0.00 H new ATOM 977 N THR A 59 -13.353 -2.440 11.711 1.00 0.00 N ATOM 978 CA THR A 59 -13.381 -0.978 12.000 1.00 0.00 C ATOM 979 C THR A 59 -14.167 -0.291 10.885 1.00 0.00 C ATOM 980 O THR A 59 -14.764 0.748 11.076 1.00 0.00 O ATOM 981 CB THR A 59 -11.952 -0.430 12.037 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.136 -1.296 12.813 1.00 0.00 O ATOM 983 CG2 THR A 59 -11.954 0.967 12.662 1.00 0.00 C ATOM 0 H THR A 59 -12.425 -2.842 11.578 1.00 0.00 H new ATOM 0 HA THR A 59 -13.851 -0.792 12.966 1.00 0.00 H new ATOM 0 HB THR A 59 -11.559 -0.370 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.220 -0.948 12.837 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.936 1.356 12.688 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.581 1.631 12.067 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.346 0.911 13.677 1.00 0.00 H new ATOM 991 N LEU A 60 -14.176 -0.882 9.724 1.00 0.00 N ATOM 992 CA LEU A 60 -14.926 -0.294 8.582 1.00 0.00 C ATOM 993 C LEU A 60 -16.425 -0.332 8.894 1.00 0.00 C ATOM 994 O LEU A 60 -17.111 0.669 8.841 1.00 0.00 O ATOM 995 CB LEU A 60 -14.645 -1.125 7.326 1.00 0.00 C ATOM 996 CG LEU A 60 -13.462 -0.525 6.567 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.043 -1.471 5.440 1.00 0.00 C ATOM 998 CD2 LEU A 60 -13.871 0.824 5.975 1.00 0.00 C ATOM 0 H LEU A 60 -13.691 -1.755 9.516 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.614 0.738 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.427 -2.157 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.527 -1.145 6.687 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.625 -0.385 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.199 -1.042 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.752 -2.433 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.879 -1.613 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.029 1.254 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.708 0.683 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.168 1.499 6.778 1.00 0.00 H new ATOM 1010 N ASP A 61 -16.929 -1.489 9.217 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.378 -1.622 9.538 1.00 0.00 C ATOM 1012 C ASP A 61 -18.634 -1.168 10.978 1.00 0.00 C ATOM 1013 O ASP A 61 -19.759 -1.134 11.437 1.00 0.00 O ATOM 1014 CB ASP A 61 -18.788 -3.090 9.390 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.035 -3.189 8.511 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -19.882 -3.225 7.300 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.122 -3.230 9.063 1.00 0.00 O ATOM 0 H ASP A 61 -16.395 -2.356 9.273 1.00 0.00 H new ATOM 0 HA ASP A 61 -18.960 -1.001 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.973 -3.663 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.987 -3.523 10.370 1.00 0.00 H new ATOM 1022 N GLU A 62 -17.600 -0.831 11.700 1.00 0.00 N ATOM 1023 CA GLU A 62 -17.789 -0.392 13.113 1.00 0.00 C ATOM 1024 C GLU A 62 -18.237 1.068 13.153 1.00 0.00 C ATOM 1025 O GLU A 62 -19.116 1.439 13.906 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.471 -0.537 13.874 1.00 0.00 C ATOM 1027 CG GLU A 62 -16.689 -0.167 15.344 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.340 -0.113 16.063 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -14.376 -0.619 15.511 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -15.294 0.435 17.153 1.00 0.00 O ATOM 0 H GLU A 62 -16.634 -0.840 11.374 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.553 -1.015 13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.104 -1.560 13.796 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.711 0.109 13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.190 0.798 15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.339 -0.900 15.822 1.00 0.00 H new ATOM 1037 N ASP A 63 -17.641 1.901 12.350 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.039 3.339 12.349 1.00 0.00 C ATOM 1039 C ASP A 63 -19.078 3.581 11.257 1.00 0.00 C ATOM 1040 O ASP A 63 -20.187 4.002 11.525 1.00 0.00 O ATOM 1041 CB ASP A 63 -16.819 4.238 12.102 1.00 0.00 C ATOM 1042 CG ASP A 63 -15.749 3.478 11.315 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -15.808 3.498 10.096 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -14.885 2.894 11.947 1.00 0.00 O ATOM 0 H ASP A 63 -16.899 1.653 11.696 1.00 0.00 H new ATOM 0 HA ASP A 63 -18.463 3.584 13.323 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.121 5.129 11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.409 4.575 13.054 1.00 0.00 H new ATOM 1049 N GLY A 64 -18.730 3.327 10.029 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.701 3.550 8.921 1.00 0.00 C ATOM 1051 C GLY A 64 -20.403 4.895 9.128 1.00 0.00 C ATOM 1052 O GLY A 64 -21.517 5.101 8.689 1.00 0.00 O ATOM 0 H GLY A 64 -17.816 2.975 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.184 3.540 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.434 2.744 8.896 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.762 5.808 9.811 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.393 7.131 10.066 1.00 0.00 C ATOM 1058 C ASP A 65 -19.344 8.254 10.027 1.00 0.00 C ATOM 1059 O ASP A 65 -19.680 9.421 10.093 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.025 7.095 11.453 1.00 0.00 C ATOM 1061 CG ASP A 65 -22.153 8.126 11.538 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -22.440 8.744 10.526 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.710 8.279 12.613 1.00 0.00 O ATOM 0 H ASP A 65 -18.827 5.691 10.203 1.00 0.00 H new ATOM 0 HA ASP A 65 -21.140 7.328 9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -21.415 6.098 11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -20.271 7.305 12.211 1.00 0.00 H new ATOM 1068 N GLY A 66 -18.079 7.927 9.939 1.00 0.00 N ATOM 1069 CA GLY A 66 -17.041 8.993 9.917 1.00 0.00 C ATOM 1070 C GLY A 66 -16.314 8.996 8.571 1.00 0.00 C ATOM 1071 O GLY A 66 -16.769 8.421 7.601 1.00 0.00 O ATOM 0 H GLY A 66 -17.725 6.972 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.504 9.965 10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.326 8.831 10.724 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.181 9.644 8.509 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.414 9.696 7.231 1.00 0.00 C ATOM 1077 C GLU A 67 -13.016 9.106 7.449 1.00 0.00 C ATOM 1078 O GLU A 67 -12.504 9.092 8.552 1.00 0.00 O ATOM 1079 CB GLU A 67 -14.292 11.152 6.777 1.00 0.00 C ATOM 1080 CG GLU A 67 -15.643 11.639 6.249 1.00 0.00 C ATOM 1081 CD GLU A 67 -16.130 12.818 7.094 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -16.046 12.728 8.308 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -16.581 13.792 6.513 1.00 0.00 O ATOM 0 H GLU A 67 -14.753 10.141 9.290 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.933 9.117 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.968 11.777 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.533 11.239 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.550 11.940 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.371 10.829 6.283 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.396 8.616 6.408 1.00 0.00 N ATOM 1091 CA CYS A 68 -11.033 8.027 6.555 1.00 0.00 C ATOM 1092 C CYS A 68 -9.982 9.046 6.106 1.00 0.00 C ATOM 1093 O CYS A 68 -10.294 10.028 5.463 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.931 6.774 5.683 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.661 5.369 6.559 1.00 0.00 S ATOM 0 H CYS A 68 -12.775 8.598 5.461 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.859 7.765 7.599 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.447 6.934 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.887 6.566 5.446 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.762 4.445 6.722 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.738 8.820 6.436 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.674 9.780 6.019 1.00 0.00 C ATOM 1103 C ASP A 69 -6.921 9.212 4.819 1.00 0.00 C ATOM 1104 O ASP A 69 -7.375 8.295 4.164 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.692 10.002 7.172 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.358 11.491 7.279 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -6.841 12.246 6.452 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -5.625 11.851 8.186 1.00 0.00 O ATOM 0 H ASP A 69 -8.413 8.016 6.974 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.135 10.730 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.126 9.648 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.782 9.426 7.005 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.768 9.745 4.528 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.987 9.226 3.370 1.00 0.00 C ATOM 1115 C PHE A 70 -4.020 8.146 3.858 1.00 0.00 C ATOM 1116 O PHE A 70 -3.751 7.185 3.166 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.225 10.374 2.697 1.00 0.00 C ATOM 1118 CG PHE A 70 -2.960 10.697 3.460 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -3.028 11.391 4.675 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -1.718 10.313 2.939 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -1.853 11.698 5.371 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -0.544 10.623 3.634 1.00 0.00 C ATOM 1123 CZ PHE A 70 -0.610 11.316 4.849 1.00 0.00 C ATOM 0 H PHE A 70 -5.334 10.514 5.039 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.663 8.789 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.977 10.100 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.860 11.258 2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.986 11.689 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.667 9.778 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.904 12.229 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.414 10.327 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.297 11.556 5.384 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.513 8.283 5.055 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.588 7.245 5.594 1.00 0.00 C ATOM 1135 C GLN A 71 -3.428 6.081 6.110 1.00 0.00 C ATOM 1136 O GLN A 71 -2.970 4.959 6.206 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.768 7.828 6.750 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.779 8.859 6.210 1.00 0.00 C ATOM 1139 CD GLN A 71 0.635 8.502 6.670 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.320 9.318 7.255 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.107 7.309 6.428 1.00 0.00 N ATOM 0 H GLN A 71 -3.699 9.067 5.681 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.907 6.910 4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.430 8.293 7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.232 7.032 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.823 8.884 5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.047 9.855 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.533 6.623 5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.050 7.063 6.730 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.661 6.348 6.442 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.554 5.275 6.953 1.00 0.00 C ATOM 1152 C GLU A 72 -6.049 4.435 5.775 1.00 0.00 C ATOM 1153 O GLU A 72 -5.898 3.230 5.751 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.744 5.918 7.670 1.00 0.00 C ATOM 1155 CG GLU A 72 -6.396 6.129 9.146 1.00 0.00 C ATOM 1156 CD GLU A 72 -7.308 5.263 10.017 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -7.813 4.275 9.510 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -7.485 5.603 11.175 1.00 0.00 O ATOM 0 H GLU A 72 -5.090 7.271 6.380 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.014 4.635 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.992 6.872 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.624 5.281 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.352 5.870 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.513 7.180 9.411 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.630 5.063 4.791 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.119 4.302 3.609 1.00 0.00 C ATOM 1167 C PHE A 73 -5.906 3.683 2.898 1.00 0.00 C ATOM 1168 O PHE A 73 -6.029 2.747 2.131 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.896 5.265 2.680 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.337 5.244 1.270 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.139 5.911 0.986 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -8.015 4.558 0.256 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.619 5.890 -0.314 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.496 4.538 -1.045 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.298 5.204 -1.330 1.00 0.00 C ATOM 0 H PHE A 73 -6.787 6.070 4.755 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.795 3.500 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.949 4.983 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.845 6.278 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.617 6.441 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.939 4.044 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.694 6.403 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.020 4.009 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.897 5.189 -2.333 1.00 0.00 H new ATOM 1185 N MET A 74 -4.736 4.203 3.155 1.00 0.00 N ATOM 1186 CA MET A 74 -3.511 3.657 2.507 1.00 0.00 C ATOM 1187 C MET A 74 -3.091 2.371 3.217 1.00 0.00 C ATOM 1188 O MET A 74 -2.895 1.344 2.598 1.00 0.00 O ATOM 1189 CB MET A 74 -2.381 4.686 2.610 1.00 0.00 C ATOM 1190 CG MET A 74 -2.176 5.362 1.254 1.00 0.00 C ATOM 1191 SD MET A 74 -0.705 4.675 0.454 1.00 0.00 S ATOM 1192 CE MET A 74 -1.567 3.689 -0.796 1.00 0.00 C ATOM 0 H MET A 74 -4.576 4.986 3.789 1.00 0.00 H new ATOM 0 HA MET A 74 -3.717 3.444 1.458 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.623 5.432 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.459 4.198 2.927 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.051 5.208 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.063 6.438 1.385 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.842 3.100 -1.358 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.277 3.021 -0.307 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.102 4.351 -1.477 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.953 2.417 4.513 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.550 1.194 5.257 1.00 0.00 C ATOM 1204 C ALA A 75 -3.711 0.200 5.243 1.00 0.00 C ATOM 1205 O ALA A 75 -3.539 -0.974 5.497 1.00 0.00 O ATOM 1206 CB ALA A 75 -2.201 1.568 6.699 1.00 0.00 C ATOM 0 H ALA A 75 -3.102 3.247 5.087 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.677 0.741 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.905 0.673 7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.378 2.282 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.071 2.016 7.179 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.893 0.666 4.945 1.00 0.00 N ATOM 1213 CA PHE A 76 -6.071 -0.244 4.911 1.00 0.00 C ATOM 1214 C PHE A 76 -6.088 -1.012 3.583 1.00 0.00 C ATOM 1215 O PHE A 76 -6.413 -2.181 3.537 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.355 0.582 5.037 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.912 0.450 6.435 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -7.309 1.137 7.497 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.033 -0.356 6.672 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.826 1.019 8.793 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.550 -0.474 7.969 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.946 0.213 9.030 1.00 0.00 C ATOM 0 H PHE A 76 -5.093 1.641 4.723 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.008 -0.951 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.148 1.629 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.091 0.241 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.444 1.758 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.499 -0.887 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.361 1.550 9.610 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.415 -1.095 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.344 0.121 10.030 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.748 -0.360 2.502 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.753 -1.048 1.175 1.00 0.00 C ATOM 1234 C VAL A 77 -4.595 -2.046 1.089 1.00 0.00 C ATOM 1235 O VAL A 77 -4.657 -3.015 0.359 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.601 -0.001 0.071 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.630 -0.690 -1.295 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.753 1.003 0.159 1.00 0.00 C ATOM 0 H VAL A 77 -5.467 0.620 2.480 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.693 -1.587 1.055 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.652 0.521 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.522 0.057 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.811 -1.406 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.579 -1.212 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.646 1.750 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.701 0.480 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.733 1.495 1.131 1.00 0.00 H new ATOM 1248 N SER A 78 -3.535 -1.814 1.811 1.00 0.00 N ATOM 1249 CA SER A 78 -2.374 -2.751 1.748 1.00 0.00 C ATOM 1250 C SER A 78 -2.658 -4.010 2.574 1.00 0.00 C ATOM 1251 O SER A 78 -2.382 -5.115 2.148 1.00 0.00 O ATOM 1252 CB SER A 78 -1.130 -2.053 2.300 1.00 0.00 C ATOM 1253 OG SER A 78 -1.075 -0.726 1.791 1.00 0.00 O ATOM 0 H SER A 78 -3.420 -1.020 2.441 1.00 0.00 H new ATOM 0 HA SER A 78 -2.209 -3.040 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.161 -2.037 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.233 -2.602 2.015 1.00 0.00 H new ATOM 0 HG SER A 78 -1.676 -0.151 2.310 1.00 0.00 H new ATOM 1259 N MET A 79 -3.191 -3.857 3.756 1.00 0.00 N ATOM 1260 CA MET A 79 -3.472 -5.044 4.608 1.00 0.00 C ATOM 1261 C MET A 79 -4.401 -6.021 3.877 1.00 0.00 C ATOM 1262 O MET A 79 -4.190 -7.218 3.893 1.00 0.00 O ATOM 1263 CB MET A 79 -4.146 -4.583 5.902 1.00 0.00 C ATOM 1264 CG MET A 79 -3.371 -3.408 6.503 1.00 0.00 C ATOM 1265 SD MET A 79 -2.580 -3.932 8.045 1.00 0.00 S ATOM 1266 CE MET A 79 -3.958 -3.543 9.152 1.00 0.00 C ATOM 0 H MET A 79 -3.444 -2.959 4.168 1.00 0.00 H new ATOM 0 HA MET A 79 -2.533 -5.550 4.831 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.175 -4.286 5.700 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.186 -5.407 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.619 -3.056 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.045 -2.573 6.693 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.683 -3.793 10.177 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.188 -2.480 9.087 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.834 -4.122 8.860 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.436 -5.527 3.256 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.387 -6.433 2.550 1.00 0.00 C ATOM 1278 C VAL A 80 -5.733 -7.038 1.301 1.00 0.00 C ATOM 1279 O VAL A 80 -5.908 -8.204 1.007 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.637 -5.645 2.155 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.552 -5.505 3.377 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.237 -4.255 1.654 1.00 0.00 C ATOM 0 H VAL A 80 -5.665 -4.534 3.206 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.663 -7.248 3.220 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.163 -6.174 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.445 -4.944 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.841 -6.495 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.022 -4.977 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.131 -3.698 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.710 -3.721 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.585 -4.355 0.786 1.00 0.00 H new ATOM 1292 N THR A 81 -4.981 -6.269 0.561 1.00 0.00 N ATOM 1293 CA THR A 81 -4.329 -6.831 -0.659 1.00 0.00 C ATOM 1294 C THR A 81 -3.278 -7.865 -0.241 1.00 0.00 C ATOM 1295 O THR A 81 -2.725 -8.570 -1.063 1.00 0.00 O ATOM 1296 CB THR A 81 -3.653 -5.709 -1.453 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.461 -4.540 -1.392 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.482 -6.137 -2.914 1.00 0.00 C ATOM 0 H THR A 81 -4.790 -5.284 0.745 1.00 0.00 H new ATOM 0 HA THR A 81 -5.085 -7.306 -1.284 1.00 0.00 H new ATOM 0 HB THR A 81 -2.673 -5.501 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.359 -4.117 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.001 -5.335 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.864 -7.034 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.459 -6.347 -3.348 1.00 0.00 H new ATOM 1306 N THR A 82 -2.999 -7.960 1.033 1.00 0.00 N ATOM 1307 CA THR A 82 -1.985 -8.947 1.502 1.00 0.00 C ATOM 1308 C THR A 82 -2.651 -9.974 2.422 1.00 0.00 C ATOM 1309 O THR A 82 -2.014 -10.881 2.920 1.00 0.00 O ATOM 1310 CB THR A 82 -0.883 -8.214 2.273 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.474 -7.269 3.157 1.00 0.00 O ATOM 1312 CG2 THR A 82 0.035 -7.487 1.290 1.00 0.00 C ATOM 0 H THR A 82 -3.429 -7.397 1.767 1.00 0.00 H new ATOM 0 HA THR A 82 -1.554 -9.459 0.642 1.00 0.00 H new ATOM 0 HB THR A 82 -0.300 -8.935 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.488 -6.387 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.818 -6.966 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.488 -8.210 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.546 -6.765 0.715 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.929 -9.839 2.654 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.633 -10.806 3.545 1.00 0.00 C ATOM 1322 C ALA A 83 -4.535 -12.216 2.953 1.00 0.00 C ATOM 1323 O ALA A 83 -3.941 -13.102 3.533 1.00 0.00 O ATOM 1324 CB ALA A 83 -6.105 -10.408 3.669 1.00 0.00 C ATOM 0 H ALA A 83 -4.516 -9.101 2.265 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.168 -10.793 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.619 -11.115 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.177 -9.406 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.569 -10.419 2.683 1.00 0.00 H new ATOM 1481 N SER B 1 -9.475 -0.906 -13.286 1.00 0.00 N ATOM 1482 CA SER B 1 -9.752 0.109 -12.229 1.00 0.00 C ATOM 1483 C SER B 1 -8.432 0.710 -11.738 1.00 0.00 C ATOM 1484 O SER B 1 -7.365 0.327 -12.176 1.00 0.00 O ATOM 1485 CB SER B 1 -10.481 -0.555 -11.060 1.00 0.00 C ATOM 1486 OG SER B 1 -9.533 -1.212 -10.229 1.00 0.00 O ATOM 0 H1 SER B 1 -9.959 -0.633 -14.165 1.00 0.00 H new ATOM 0 H2 SER B 1 -8.450 -0.959 -13.457 1.00 0.00 H new ATOM 0 H3 SER B 1 -9.822 -1.835 -12.974 1.00 0.00 H new ATOM 0 HA SER B 1 -10.378 0.900 -12.641 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.029 0.192 -10.486 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.214 -1.271 -11.432 1.00 0.00 H new ATOM 0 HG SER B 1 -9.965 -1.962 -9.770 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.496 1.657 -10.841 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.246 2.291 -10.331 1.00 0.00 C ATOM 1494 C GLU B 2 -6.597 1.415 -9.256 1.00 0.00 C ATOM 1495 O GLU B 2 -5.456 1.019 -9.370 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.574 3.655 -9.722 1.00 0.00 C ATOM 1497 CG GLU B 2 -8.186 4.564 -10.787 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.317 4.531 -12.046 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -6.382 5.311 -12.115 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.601 3.726 -12.918 1.00 0.00 O ATOM 0 H GLU B 2 -9.361 2.019 -10.439 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.554 2.407 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -8.269 3.535 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.670 4.110 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -9.198 4.236 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.261 5.584 -10.410 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.308 1.132 -8.201 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.728 0.306 -7.101 1.00 0.00 C ATOM 1509 C LEU B 3 -6.322 -1.076 -7.619 1.00 0.00 C ATOM 1510 O LEU B 3 -5.402 -1.686 -7.116 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.770 0.137 -5.996 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.114 0.352 -4.632 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.854 1.843 -4.417 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.048 -0.167 -3.533 1.00 0.00 C ATOM 0 H LEU B 3 -8.270 1.437 -8.051 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.843 0.812 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.582 0.851 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.209 -0.859 -6.046 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.168 -0.188 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.386 1.994 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.192 2.213 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.798 2.386 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.583 -0.015 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -8.993 0.375 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.233 -1.230 -3.685 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.008 -1.589 -8.598 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.658 -2.945 -9.110 1.00 0.00 C ATOM 1528 C GLU B 4 -5.354 -2.899 -9.914 1.00 0.00 C ATOM 1529 O GLU B 4 -4.362 -3.482 -9.535 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.788 -3.463 -10.003 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.399 -4.827 -10.581 1.00 0.00 C ATOM 1532 CD GLU B 4 -8.094 -5.030 -11.928 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.707 -4.088 -12.405 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -8.003 -6.124 -12.462 1.00 0.00 O ATOM 0 H GLU B 4 -7.792 -1.134 -9.065 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.522 -3.613 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.710 -3.550 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -7.981 -2.756 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.318 -4.885 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.684 -5.621 -9.890 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.348 -2.229 -11.028 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.104 -2.174 -11.850 1.00 0.00 C ATOM 1543 C LYS B 5 -2.938 -1.664 -10.996 1.00 0.00 C ATOM 1544 O LYS B 5 -1.812 -2.097 -11.144 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.320 -1.230 -13.035 1.00 0.00 C ATOM 1546 CG LYS B 5 -4.756 -2.039 -14.260 1.00 0.00 C ATOM 1547 CD LYS B 5 -5.827 -1.262 -15.028 1.00 0.00 C ATOM 1548 CE LYS B 5 -5.221 -0.687 -16.311 1.00 0.00 C ATOM 1549 NZ LYS B 5 -4.686 0.677 -16.038 1.00 0.00 N ATOM 0 H LYS B 5 -6.145 -1.718 -11.407 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.869 -3.174 -12.216 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.078 -0.487 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.401 -0.687 -13.253 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.899 -2.233 -14.905 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.147 -3.008 -13.949 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -6.663 -1.918 -15.271 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -6.222 -0.458 -14.408 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.424 -1.337 -16.673 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -5.977 -0.643 -17.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.274 1.069 -16.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.457 1.294 -15.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.953 0.622 -15.303 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.197 -0.739 -10.114 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.106 -0.186 -9.258 1.00 0.00 C ATOM 1565 C ALA B 6 -1.821 -1.119 -8.076 1.00 0.00 C ATOM 1566 O ALA B 6 -0.783 -1.745 -8.005 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.529 1.187 -8.726 1.00 0.00 C ATOM 0 H ALA B 6 -4.121 -0.340 -9.947 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.201 -0.095 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.735 1.595 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.714 1.860 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.440 1.084 -8.136 1.00 0.00 H new ATOM 1573 N MET B 7 -2.729 -1.204 -7.142 1.00 0.00 N ATOM 1574 CA MET B 7 -2.508 -2.081 -5.958 1.00 0.00 C ATOM 1575 C MET B 7 -2.050 -3.462 -6.423 1.00 0.00 C ATOM 1576 O MET B 7 -1.032 -3.971 -5.998 1.00 0.00 O ATOM 1577 CB MET B 7 -3.817 -2.216 -5.177 1.00 0.00 C ATOM 1578 CG MET B 7 -3.520 -2.729 -3.767 1.00 0.00 C ATOM 1579 SD MET B 7 -2.529 -1.501 -2.877 1.00 0.00 S ATOM 1580 CE MET B 7 -1.922 -2.597 -1.572 1.00 0.00 C ATOM 0 H MET B 7 -3.617 -0.702 -7.149 1.00 0.00 H new ATOM 0 HA MET B 7 -1.743 -1.642 -5.318 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.323 -1.252 -5.125 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.490 -2.902 -5.691 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.451 -2.917 -3.233 1.00 0.00 H new ATOM 0 HG3 MET B 7 -2.984 -3.677 -3.818 1.00 0.00 H new ATOM 0 HE1 MET B 7 -1.120 -2.102 -1.025 1.00 0.00 H new ATOM 0 HE2 MET B 7 -2.736 -2.833 -0.887 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.544 -3.518 -2.017 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.803 -4.071 -7.290 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.426 -5.424 -7.787 1.00 0.00 C ATOM 1592 C VAL B 8 -1.017 -5.383 -8.388 1.00 0.00 C ATOM 1593 O VAL B 8 -0.267 -6.333 -8.290 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.428 -5.873 -8.850 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -3.199 -7.350 -9.174 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.851 -5.685 -8.320 1.00 0.00 C ATOM 0 H VAL B 8 -3.666 -3.691 -7.679 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.438 -6.130 -6.957 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.293 -5.276 -9.752 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.913 -7.671 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.185 -7.487 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -3.335 -7.946 -8.272 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.567 -6.005 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.985 -6.283 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -5.016 -4.633 -8.086 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.645 -4.291 -9.000 1.00 0.00 N ATOM 1607 CA ALA B 9 0.722 -4.205 -9.593 1.00 0.00 C ATOM 1608 C ALA B 9 1.756 -4.376 -8.482 1.00 0.00 C ATOM 1609 O ALA B 9 2.799 -4.971 -8.677 1.00 0.00 O ATOM 1610 CB ALA B 9 0.907 -2.843 -10.264 1.00 0.00 C ATOM 0 H ALA B 9 -1.224 -3.459 -9.115 1.00 0.00 H new ATOM 0 HA ALA B 9 0.850 -4.989 -10.339 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.906 -2.783 -10.696 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.163 -2.721 -11.051 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.784 -2.053 -9.523 1.00 0.00 H new ATOM 1616 N LEU B 10 1.474 -3.870 -7.312 1.00 0.00 N ATOM 1617 CA LEU B 10 2.439 -4.016 -6.188 1.00 0.00 C ATOM 1618 C LEU B 10 2.682 -5.504 -5.939 1.00 0.00 C ATOM 1619 O LEU B 10 3.807 -5.960 -5.874 1.00 0.00 O ATOM 1620 CB LEU B 10 1.859 -3.371 -4.926 1.00 0.00 C ATOM 1621 CG LEU B 10 2.794 -2.262 -4.444 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.048 -1.357 -3.461 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.003 -2.886 -3.743 1.00 0.00 C ATOM 0 H LEU B 10 0.618 -3.363 -7.087 1.00 0.00 H new ATOM 0 HA LEU B 10 3.379 -3.524 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU B 10 0.870 -2.962 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.735 -4.122 -4.145 1.00 0.00 H new ATOM 0 HG LEU B 10 3.130 -1.673 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.714 -0.566 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.185 -0.914 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.713 -1.946 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.671 -2.097 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.665 -3.474 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.535 -3.532 -4.441 1.00 0.00 H new ATOM 1635 N ILE B 11 1.631 -6.269 -5.813 1.00 0.00 N ATOM 1636 CA ILE B 11 1.800 -7.730 -5.585 1.00 0.00 C ATOM 1637 C ILE B 11 2.767 -8.281 -6.636 1.00 0.00 C ATOM 1638 O ILE B 11 3.448 -9.264 -6.420 1.00 0.00 O ATOM 1639 CB ILE B 11 0.444 -8.427 -5.724 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -0.485 -7.966 -4.597 1.00 0.00 C ATOM 1641 CG2 ILE B 11 0.631 -9.942 -5.640 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.761 -8.809 -4.612 1.00 0.00 C ATOM 0 H ILE B 11 0.665 -5.945 -5.858 1.00 0.00 H new ATOM 0 HA ILE B 11 2.195 -7.909 -4.585 1.00 0.00 H new ATOM 0 HB ILE B 11 0.005 -8.170 -6.688 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.017 -8.064 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.731 -6.912 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.337 -10.434 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.290 -10.272 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.073 -10.201 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.423 -8.482 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.265 -8.689 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.505 -9.858 -4.466 1.00 0.00 H new ATOM 1654 N ASP B 12 2.826 -7.646 -7.773 1.00 0.00 N ATOM 1655 CA ASP B 12 3.741 -8.111 -8.853 1.00 0.00 C ATOM 1656 C ASP B 12 5.189 -7.804 -8.469 1.00 0.00 C ATOM 1657 O ASP B 12 6.068 -8.631 -8.610 1.00 0.00 O ATOM 1658 CB ASP B 12 3.391 -7.379 -10.151 1.00 0.00 C ATOM 1659 CG ASP B 12 3.857 -8.205 -11.351 1.00 0.00 C ATOM 1660 OD1 ASP B 12 3.515 -9.374 -11.410 1.00 0.00 O ATOM 1661 OD2 ASP B 12 4.548 -7.654 -12.192 1.00 0.00 O ATOM 0 H ASP B 12 2.275 -6.819 -8.002 1.00 0.00 H new ATOM 0 HA ASP B 12 3.628 -9.186 -8.992 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.315 -7.213 -10.207 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.866 -6.398 -10.166 1.00 0.00 H new ATOM 1666 N VAL B 13 5.442 -6.619 -7.987 1.00 0.00 N ATOM 1667 CA VAL B 13 6.834 -6.252 -7.596 1.00 0.00 C ATOM 1668 C VAL B 13 7.420 -7.342 -6.694 1.00 0.00 C ATOM 1669 O VAL B 13 8.542 -7.770 -6.874 1.00 0.00 O ATOM 1670 CB VAL B 13 6.822 -4.912 -6.846 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.142 -4.722 -6.098 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.652 -3.773 -7.849 1.00 0.00 C ATOM 0 H VAL B 13 4.745 -5.888 -7.846 1.00 0.00 H new ATOM 0 HA VAL B 13 7.448 -6.158 -8.492 1.00 0.00 H new ATOM 0 HB VAL B 13 5.997 -4.909 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.126 -3.769 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.274 -5.533 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL B 13 8.968 -4.728 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.643 -2.820 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.480 -3.786 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.712 -3.898 -8.386 1.00 0.00 H new ATOM 1682 N PHE B 14 6.677 -7.791 -5.721 1.00 0.00 N ATOM 1683 CA PHE B 14 7.209 -8.847 -4.814 1.00 0.00 C ATOM 1684 C PHE B 14 7.525 -10.106 -5.624 1.00 0.00 C ATOM 1685 O PHE B 14 8.531 -10.753 -5.415 1.00 0.00 O ATOM 1686 CB PHE B 14 6.175 -9.177 -3.735 1.00 0.00 C ATOM 1687 CG PHE B 14 6.861 -9.229 -2.392 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.777 -8.234 -2.035 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.586 -10.277 -1.505 1.00 0.00 C ATOM 1690 CE1 PHE B 14 8.417 -8.283 -0.790 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.226 -10.327 -0.261 1.00 0.00 C ATOM 1692 CZ PHE B 14 8.143 -9.331 0.096 1.00 0.00 C ATOM 0 H PHE B 14 5.729 -7.475 -5.515 1.00 0.00 H new ATOM 0 HA PHE B 14 8.119 -8.484 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.388 -8.423 -3.726 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.698 -10.133 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.991 -7.427 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.880 -11.047 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.122 -7.512 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.012 -11.134 0.424 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.639 -9.371 1.055 1.00 0.00 H new ATOM 1702 N HIS B 15 6.676 -10.457 -6.549 1.00 0.00 N ATOM 1703 CA HIS B 15 6.934 -11.672 -7.371 1.00 0.00 C ATOM 1704 C HIS B 15 8.120 -11.409 -8.302 1.00 0.00 C ATOM 1705 O HIS B 15 8.733 -12.323 -8.818 1.00 0.00 O ATOM 1706 CB HIS B 15 5.691 -11.998 -8.202 1.00 0.00 C ATOM 1707 CG HIS B 15 5.876 -13.329 -8.877 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.515 -14.390 -8.255 1.00 0.00 N ATOM 1709 CD2 HIS B 15 5.511 -13.788 -10.120 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.517 -15.424 -9.117 1.00 0.00 C ATOM 1711 NE2 HIS B 15 5.917 -15.112 -10.269 1.00 0.00 N ATOM 0 H HIS B 15 5.816 -9.956 -6.771 1.00 0.00 H new ATOM 0 HA HIS B 15 7.163 -12.515 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS B 15 4.809 -12.022 -7.563 1.00 0.00 H new ATOM 0 HB3 HIS B 15 5.524 -11.220 -8.947 1.00 0.00 H new ATOM 0 HD2 HIS B 15 4.989 -13.210 -10.868 1.00 0.00 H new ATOM 0 HE1 HIS B 15 6.951 -16.389 -8.903 1.00 0.00 H new ATOM 0 HE2 HIS B 15 5.785 -15.713 -11.082 1.00 0.00 H new ATOM 1719 N GLN B 16 8.445 -10.164 -8.521 1.00 0.00 N ATOM 1720 CA GLN B 16 9.586 -9.834 -9.419 1.00 0.00 C ATOM 1721 C GLN B 16 10.853 -9.627 -8.585 1.00 0.00 C ATOM 1722 O GLN B 16 11.709 -10.488 -8.512 1.00 0.00 O ATOM 1723 CB GLN B 16 9.265 -8.550 -10.184 1.00 0.00 C ATOM 1724 CG GLN B 16 10.505 -8.082 -10.947 1.00 0.00 C ATOM 1725 CD GLN B 16 10.091 -7.097 -12.040 1.00 0.00 C ATOM 1726 OE1 GLN B 16 9.534 -7.487 -13.048 1.00 0.00 O ATOM 1727 NE2 GLN B 16 10.337 -5.824 -11.882 1.00 0.00 N ATOM 0 H GLN B 16 7.967 -9.359 -8.115 1.00 0.00 H new ATOM 0 HA GLN B 16 9.747 -10.652 -10.122 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.443 -8.725 -10.878 1.00 0.00 H new ATOM 0 HB3 GLN B 16 8.938 -7.774 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.208 -7.607 -10.263 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.017 -8.937 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN B 16 10.804 -5.496 -11.037 1.00 0.00 H new ATOM 0 HE22 GLN B 16 10.062 -5.158 -12.604 1.00 0.00 H new ATOM 1736 N TYR B 17 10.980 -8.491 -7.956 1.00 0.00 N ATOM 1737 CA TYR B 17 12.189 -8.223 -7.127 1.00 0.00 C ATOM 1738 C TYR B 17 12.533 -9.464 -6.299 1.00 0.00 C ATOM 1739 O TYR B 17 13.653 -9.937 -6.309 1.00 0.00 O ATOM 1740 CB TYR B 17 11.912 -7.044 -6.188 1.00 0.00 C ATOM 1741 CG TYR B 17 12.439 -5.772 -6.806 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.660 -5.069 -7.732 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.708 -5.296 -6.455 1.00 0.00 C ATOM 1744 CE1 TYR B 17 12.148 -3.890 -8.308 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.197 -4.117 -7.030 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.418 -3.415 -7.956 1.00 0.00 C ATOM 1747 OH TYR B 17 13.900 -2.252 -8.523 1.00 0.00 O ATOM 0 H TYR B 17 10.296 -7.734 -7.981 1.00 0.00 H new ATOM 0 HA TYR B 17 13.028 -7.981 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR B 17 10.841 -6.955 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR B 17 12.387 -7.215 -5.222 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.681 -5.436 -8.003 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.310 -5.838 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.546 -3.348 -9.022 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.176 -3.749 -6.759 1.00 0.00 H new ATOM 0 HH TYR B 17 14.028 -1.576 -7.825 1.00 0.00 H new ATOM 1757 N SER B 18 11.581 -9.994 -5.580 1.00 0.00 N ATOM 1758 CA SER B 18 11.856 -11.204 -4.751 1.00 0.00 C ATOM 1759 C SER B 18 12.065 -12.414 -5.663 1.00 0.00 C ATOM 1760 O SER B 18 12.805 -13.324 -5.346 1.00 0.00 O ATOM 1761 CB SER B 18 10.673 -11.464 -3.820 1.00 0.00 C ATOM 1762 OG SER B 18 11.146 -12.030 -2.605 1.00 0.00 O ATOM 0 H SER B 18 10.625 -9.642 -5.530 1.00 0.00 H new ATOM 0 HA SER B 18 12.755 -11.039 -4.158 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.143 -10.533 -3.619 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.962 -12.139 -4.296 1.00 0.00 H new ATOM 0 HG SER B 18 10.389 -12.196 -2.005 1.00 0.00 H new ATOM 1855 N HIS B 25 9.312 -15.386 -1.863 1.00 0.00 N ATOM 1856 CA HIS B 25 8.256 -14.921 -0.916 1.00 0.00 C ATOM 1857 C HIS B 25 8.897 -14.140 0.234 1.00 0.00 C ATOM 1858 O HIS B 25 8.296 -13.941 1.272 1.00 0.00 O ATOM 1859 CB HIS B 25 7.509 -16.131 -0.353 1.00 0.00 C ATOM 1860 CG HIS B 25 7.392 -17.187 -1.418 1.00 0.00 C ATOM 1861 ND1 HIS B 25 6.420 -17.133 -2.405 1.00 0.00 N ATOM 1862 CD2 HIS B 25 8.121 -18.324 -1.670 1.00 0.00 C ATOM 1863 CE1 HIS B 25 6.589 -18.209 -3.198 1.00 0.00 C ATOM 1864 NE2 HIS B 25 7.611 -18.967 -2.795 1.00 0.00 N ATOM 0 HA HIS B 25 7.558 -14.273 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS B 25 8.039 -16.529 0.512 1.00 0.00 H new ATOM 0 HB3 HIS B 25 6.518 -15.833 -0.010 1.00 0.00 H new ATOM 0 HD2 HIS B 25 8.961 -18.667 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS B 25 5.972 -18.431 -4.056 1.00 0.00 H new ATOM 0 HE2 HIS B 25 7.946 -19.832 -3.220 1.00 0.00 H new ATOM 1872 N LYS B 26 10.111 -13.696 0.061 1.00 0.00 N ATOM 1873 CA LYS B 26 10.780 -12.929 1.150 1.00 0.00 C ATOM 1874 C LYS B 26 11.771 -11.937 0.541 1.00 0.00 C ATOM 1875 O LYS B 26 12.581 -12.287 -0.295 1.00 0.00 O ATOM 1876 CB LYS B 26 11.528 -13.890 2.078 1.00 0.00 C ATOM 1877 CG LYS B 26 11.960 -15.132 1.297 1.00 0.00 C ATOM 1878 CD LYS B 26 10.980 -16.274 1.571 1.00 0.00 C ATOM 1879 CE LYS B 26 11.495 -17.120 2.735 1.00 0.00 C ATOM 1880 NZ LYS B 26 10.408 -17.299 3.740 1.00 0.00 N ATOM 0 H LYS B 26 10.667 -13.830 -0.783 1.00 0.00 H new ATOM 0 HA LYS B 26 10.026 -12.389 1.723 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.401 -13.394 2.503 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.887 -14.178 2.912 1.00 0.00 H new ATOM 0 HG2 LYS B 26 11.989 -14.912 0.230 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.968 -15.426 1.589 1.00 0.00 H new ATOM 0 HD2 LYS B 26 9.995 -15.873 1.807 1.00 0.00 H new ATOM 0 HD3 LYS B 26 10.867 -16.892 0.680 1.00 0.00 H new ATOM 0 HE2 LYS B 26 11.832 -18.091 2.372 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.356 -16.636 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 10.759 -17.875 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 10.107 -16.369 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 9.599 -17.778 3.295 1.00 0.00 H new ATOM 1894 N LEU B 27 11.714 -10.702 0.955 1.00 0.00 N ATOM 1895 CA LEU B 27 12.653 -9.689 0.402 1.00 0.00 C ATOM 1896 C LEU B 27 13.814 -9.490 1.378 1.00 0.00 C ATOM 1897 O LEU B 27 14.007 -10.264 2.293 1.00 0.00 O ATOM 1898 CB LEU B 27 11.916 -8.363 0.209 1.00 0.00 C ATOM 1899 CG LEU B 27 12.375 -7.707 -1.095 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.822 -8.492 -2.285 1.00 0.00 C ATOM 1901 CD2 LEU B 27 11.856 -6.268 -1.147 1.00 0.00 C ATOM 0 H LEU B 27 11.058 -10.351 1.652 1.00 0.00 H new ATOM 0 HA LEU B 27 13.038 -10.033 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.840 -8.534 0.183 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.113 -7.700 1.051 1.00 0.00 H new ATOM 0 HG LEU B 27 13.464 -7.705 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU B 27 12.149 -8.024 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU B 27 12.189 -9.518 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.733 -8.495 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.181 -5.797 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.767 -6.272 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.250 -5.708 -0.299 1.00 0.00 H new ATOM 1913 N LYS B 28 14.584 -8.457 1.190 1.00 0.00 N ATOM 1914 CA LYS B 28 15.730 -8.200 2.106 1.00 0.00 C ATOM 1915 C LYS B 28 15.687 -6.742 2.558 1.00 0.00 C ATOM 1916 O LYS B 28 15.480 -5.854 1.766 1.00 0.00 O ATOM 1917 CB LYS B 28 17.039 -8.469 1.365 1.00 0.00 C ATOM 1918 CG LYS B 28 17.849 -9.525 2.117 1.00 0.00 C ATOM 1919 CD LYS B 28 19.279 -9.546 1.577 1.00 0.00 C ATOM 1920 CE LYS B 28 19.261 -9.989 0.112 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.612 -10.485 -0.274 1.00 0.00 N ATOM 0 H LYS B 28 14.469 -7.776 0.439 1.00 0.00 H new ATOM 0 HA LYS B 28 15.666 -8.855 2.975 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.831 -8.811 0.351 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.615 -7.548 1.279 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.855 -9.303 3.184 1.00 0.00 H new ATOM 0 HG3 LYS B 28 17.389 -10.506 1.998 1.00 0.00 H new ATOM 0 HD2 LYS B 28 19.727 -8.556 1.664 1.00 0.00 H new ATOM 0 HD3 LYS B 28 19.893 -10.227 2.167 1.00 0.00 H new ATOM 0 HE2 LYS B 28 18.519 -10.774 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.972 -9.155 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 20.600 -10.786 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 21.310 -9.724 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 20.871 -11.292 0.329 1.00 0.00 H new ATOM 1935 N LYS B 29 15.859 -6.491 3.824 1.00 0.00 N ATOM 1936 CA LYS B 29 15.807 -5.081 4.324 1.00 0.00 C ATOM 1937 C LYS B 29 16.528 -4.139 3.353 1.00 0.00 C ATOM 1938 O LYS B 29 16.187 -2.978 3.242 1.00 0.00 O ATOM 1939 CB LYS B 29 16.453 -4.965 5.720 1.00 0.00 C ATOM 1940 CG LYS B 29 17.434 -6.119 5.987 1.00 0.00 C ATOM 1941 CD LYS B 29 18.646 -6.006 5.059 1.00 0.00 C ATOM 1942 CE LYS B 29 18.738 -7.250 4.176 1.00 0.00 C ATOM 1943 NZ LYS B 29 19.483 -8.314 4.905 1.00 0.00 N ATOM 0 H LYS B 29 16.034 -7.198 4.538 1.00 0.00 H new ATOM 0 HA LYS B 29 14.758 -4.795 4.395 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.979 -4.014 5.800 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.675 -4.964 6.483 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.759 -6.096 7.027 1.00 0.00 H new ATOM 0 HG3 LYS B 29 16.934 -7.075 5.830 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.559 -5.114 4.439 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.557 -5.898 5.647 1.00 0.00 H new ATOM 0 HE2 LYS B 29 17.739 -7.601 3.917 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.244 -7.010 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.025 -8.886 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 20.135 -7.876 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 18.810 -8.924 5.412 1.00 0.00 H new ATOM 1957 N SER B 30 17.523 -4.615 2.656 1.00 0.00 N ATOM 1958 CA SER B 30 18.257 -3.725 1.709 1.00 0.00 C ATOM 1959 C SER B 30 17.470 -3.586 0.402 1.00 0.00 C ATOM 1960 O SER B 30 17.379 -2.515 -0.161 1.00 0.00 O ATOM 1961 CB SER B 30 19.636 -4.316 1.416 1.00 0.00 C ATOM 1962 OG SER B 30 20.468 -3.312 0.848 1.00 0.00 O ATOM 0 H SER B 30 17.859 -5.577 2.700 1.00 0.00 H new ATOM 0 HA SER B 30 18.371 -2.740 2.162 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.083 -4.698 2.334 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.545 -5.159 0.731 1.00 0.00 H new ATOM 0 HG SER B 30 21.353 -3.688 0.661 1.00 0.00 H new ATOM 1968 N GLU B 31 16.899 -4.653 -0.085 1.00 0.00 N ATOM 1969 CA GLU B 31 16.118 -4.564 -1.347 1.00 0.00 C ATOM 1970 C GLU B 31 14.809 -3.835 -1.060 1.00 0.00 C ATOM 1971 O GLU B 31 14.152 -3.357 -1.956 1.00 0.00 O ATOM 1972 CB GLU B 31 15.821 -5.970 -1.874 1.00 0.00 C ATOM 1973 CG GLU B 31 15.497 -5.898 -3.369 1.00 0.00 C ATOM 1974 CD GLU B 31 16.792 -5.995 -4.179 1.00 0.00 C ATOM 1975 OE1 GLU B 31 17.648 -5.146 -3.992 1.00 0.00 O ATOM 1976 OE2 GLU B 31 16.905 -6.914 -4.973 1.00 0.00 O ATOM 0 H GLU B 31 16.940 -5.581 0.337 1.00 0.00 H new ATOM 0 HA GLU B 31 16.690 -4.020 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.680 -6.621 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.982 -6.404 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.822 -6.708 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU B 31 14.983 -4.964 -3.596 1.00 0.00 H new ATOM 1983 N LEU B 32 14.438 -3.732 0.191 1.00 0.00 N ATOM 1984 CA LEU B 32 13.187 -3.009 0.545 1.00 0.00 C ATOM 1985 C LEU B 32 13.502 -1.518 0.566 1.00 0.00 C ATOM 1986 O LEU B 32 12.891 -0.727 -0.125 1.00 0.00 O ATOM 1987 CB LEU B 32 12.700 -3.455 1.926 1.00 0.00 C ATOM 1988 CG LEU B 32 11.475 -2.631 2.329 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.446 -2.660 1.197 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.855 -3.224 3.596 1.00 0.00 C ATOM 0 H LEU B 32 14.952 -4.120 0.982 1.00 0.00 H new ATOM 0 HA LEU B 32 12.404 -3.225 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.448 -4.515 1.909 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.494 -3.328 2.661 1.00 0.00 H new ATOM 0 HG LEU B 32 11.777 -1.601 2.520 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.573 -2.073 1.484 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.887 -2.238 0.294 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.144 -3.690 1.006 1.00 0.00 H new ATOM 0 HD21 LEU B 32 9.982 -2.637 3.883 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.553 -4.254 3.406 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.587 -3.204 4.403 1.00 0.00 H new ATOM 2002 N LYS B 33 14.483 -1.133 1.339 1.00 0.00 N ATOM 2003 CA LYS B 33 14.874 0.299 1.389 1.00 0.00 C ATOM 2004 C LYS B 33 15.180 0.746 -0.034 1.00 0.00 C ATOM 2005 O LYS B 33 14.890 1.856 -0.435 1.00 0.00 O ATOM 2006 CB LYS B 33 16.128 0.445 2.251 1.00 0.00 C ATOM 2007 CG LYS B 33 16.185 1.857 2.837 1.00 0.00 C ATOM 2008 CD LYS B 33 17.576 2.114 3.416 1.00 0.00 C ATOM 2009 CE LYS B 33 17.683 3.575 3.856 1.00 0.00 C ATOM 2010 NZ LYS B 33 18.595 3.678 5.030 1.00 0.00 N ATOM 0 H LYS B 33 15.029 -1.753 1.938 1.00 0.00 H new ATOM 0 HA LYS B 33 14.075 0.905 1.815 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.118 -0.293 3.053 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.018 0.253 1.652 1.00 0.00 H new ATOM 0 HG2 LYS B 33 15.960 2.592 2.064 1.00 0.00 H new ATOM 0 HG3 LYS B 33 15.429 1.970 3.614 1.00 0.00 H new ATOM 0 HD2 LYS B 33 17.756 1.453 4.264 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.339 1.891 2.670 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.060 4.186 3.035 1.00 0.00 H new ATOM 0 HE3 LYS B 33 16.697 3.961 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 18.036 3.848 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 19.129 2.791 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.258 4.466 4.886 1.00 0.00 H new ATOM 2024 N GLU B 34 15.757 -0.133 -0.800 1.00 0.00 N ATOM 2025 CA GLU B 34 16.090 0.187 -2.213 1.00 0.00 C ATOM 2026 C GLU B 34 14.799 0.191 -3.033 1.00 0.00 C ATOM 2027 O GLU B 34 14.624 0.978 -3.939 1.00 0.00 O ATOM 2028 CB GLU B 34 17.040 -0.884 -2.755 1.00 0.00 C ATOM 2029 CG GLU B 34 18.479 -0.373 -2.684 1.00 0.00 C ATOM 2030 CD GLU B 34 19.065 -0.297 -4.095 1.00 0.00 C ATOM 2031 OE1 GLU B 34 18.683 -1.110 -4.921 1.00 0.00 O ATOM 2032 OE2 GLU B 34 19.888 0.573 -4.327 1.00 0.00 O ATOM 0 H GLU B 34 16.016 -1.074 -0.503 1.00 0.00 H new ATOM 0 HA GLU B 34 16.569 1.164 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.940 -1.801 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU B 34 16.780 -1.128 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU B 34 18.504 0.611 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU B 34 19.082 -1.037 -2.064 1.00 0.00 H new ATOM 2039 N LEU B 35 13.893 -0.684 -2.708 1.00 0.00 N ATOM 2040 CA LEU B 35 12.600 -0.750 -3.447 1.00 0.00 C ATOM 2041 C LEU B 35 11.901 0.611 -3.371 1.00 0.00 C ATOM 2042 O LEU B 35 11.293 1.063 -4.321 1.00 0.00 O ATOM 2043 CB LEU B 35 11.711 -1.813 -2.796 1.00 0.00 C ATOM 2044 CG LEU B 35 10.983 -2.610 -3.881 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.285 -1.646 -4.841 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.993 -3.461 -4.657 1.00 0.00 C ATOM 0 H LEU B 35 13.992 -1.364 -1.955 1.00 0.00 H new ATOM 0 HA LEU B 35 12.782 -1.006 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.316 -2.482 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU B 35 10.988 -1.340 -2.132 1.00 0.00 H new ATOM 0 HG LEU B 35 10.242 -3.260 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.767 -2.214 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.565 -1.042 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.026 -0.994 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.474 -4.028 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.735 -2.812 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.490 -4.150 -3.974 1.00 0.00 H new ATOM 2058 N ILE B 36 11.974 1.259 -2.239 1.00 0.00 N ATOM 2059 CA ILE B 36 11.305 2.585 -2.084 1.00 0.00 C ATOM 2060 C ILE B 36 12.168 3.701 -2.685 1.00 0.00 C ATOM 2061 O ILE B 36 11.705 4.495 -3.478 1.00 0.00 O ATOM 2062 CB ILE B 36 11.081 2.874 -0.594 1.00 0.00 C ATOM 2063 CG1 ILE B 36 10.924 1.552 0.170 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.816 3.719 -0.425 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.330 1.820 1.556 1.00 0.00 C ATOM 0 H ILE B 36 12.470 0.926 -1.412 1.00 0.00 H new ATOM 0 HA ILE B 36 10.350 2.554 -2.609 1.00 0.00 H new ATOM 0 HB ILE B 36 11.938 3.419 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.278 0.874 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE B 36 11.892 1.061 0.268 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.655 3.925 0.633 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.932 4.659 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.959 3.175 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.221 0.878 2.093 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.993 2.482 2.114 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.353 2.291 1.448 1.00 0.00 H new ATOM 2077 N ASN B 37 13.410 3.785 -2.290 1.00 0.00 N ATOM 2078 CA ASN B 37 14.294 4.870 -2.811 1.00 0.00 C ATOM 2079 C ASN B 37 14.729 4.578 -4.253 1.00 0.00 C ATOM 2080 O ASN B 37 15.431 5.360 -4.863 1.00 0.00 O ATOM 2081 CB ASN B 37 15.535 4.976 -1.923 1.00 0.00 C ATOM 2082 CG ASN B 37 16.347 6.211 -2.320 1.00 0.00 C ATOM 2083 OD1 ASN B 37 17.008 6.215 -3.340 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.324 7.267 -1.551 1.00 0.00 N ATOM 0 H ASN B 37 13.852 3.148 -1.627 1.00 0.00 H new ATOM 0 HA ASN B 37 13.738 5.807 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.240 5.043 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.145 4.079 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN B 37 16.861 8.096 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.769 7.263 -0.695 1.00 0.00 H new ATOM 2091 N ASN B 38 14.327 3.469 -4.808 1.00 0.00 N ATOM 2092 CA ASN B 38 14.736 3.158 -6.211 1.00 0.00 C ATOM 2093 C ASN B 38 13.517 3.230 -7.132 1.00 0.00 C ATOM 2094 O ASN B 38 13.448 4.055 -8.022 1.00 0.00 O ATOM 2095 CB ASN B 38 15.347 1.755 -6.271 1.00 0.00 C ATOM 2096 CG ASN B 38 16.199 1.617 -7.536 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.273 2.179 -7.621 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.765 0.886 -8.527 1.00 0.00 N ATOM 0 H ASN B 38 13.738 2.768 -4.358 1.00 0.00 H new ATOM 0 HA ASN B 38 15.477 3.887 -6.539 1.00 0.00 H new ATOM 0 HB2 ASN B 38 15.959 1.576 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.557 1.004 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.327 0.787 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.864 0.414 -8.456 1.00 0.00 H new ATOM 2105 N GLU B 39 12.553 2.375 -6.929 1.00 0.00 N ATOM 2106 CA GLU B 39 11.343 2.400 -7.798 1.00 0.00 C ATOM 2107 C GLU B 39 10.603 3.727 -7.606 1.00 0.00 C ATOM 2108 O GLU B 39 10.381 4.463 -8.547 1.00 0.00 O ATOM 2109 CB GLU B 39 10.419 1.242 -7.424 1.00 0.00 C ATOM 2110 CG GLU B 39 10.676 0.056 -8.360 1.00 0.00 C ATOM 2111 CD GLU B 39 12.182 -0.185 -8.482 1.00 0.00 C ATOM 2112 OE1 GLU B 39 12.816 -0.381 -7.458 1.00 0.00 O ATOM 2113 OE2 GLU B 39 12.676 -0.171 -9.598 1.00 0.00 O ATOM 0 H GLU B 39 12.551 1.661 -6.200 1.00 0.00 H new ATOM 0 HA GLU B 39 11.645 2.300 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.591 0.946 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.378 1.556 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU B 39 10.185 -0.837 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU B 39 10.249 0.256 -9.343 1.00 0.00 H new ATOM 2120 N LEU B 40 10.218 4.041 -6.398 1.00 0.00 N ATOM 2121 CA LEU B 40 9.493 5.320 -6.160 1.00 0.00 C ATOM 2122 C LEU B 40 10.483 6.487 -6.256 1.00 0.00 C ATOM 2123 O LEU B 40 10.854 6.899 -7.337 1.00 0.00 O ATOM 2124 CB LEU B 40 8.844 5.293 -4.772 1.00 0.00 C ATOM 2125 CG LEU B 40 7.431 4.716 -4.884 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.945 4.275 -3.500 1.00 0.00 C ATOM 2127 CD2 LEU B 40 6.489 5.788 -5.436 1.00 0.00 C ATOM 0 H LEU B 40 10.374 3.468 -5.569 1.00 0.00 H new ATOM 0 HA LEU B 40 8.714 5.447 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.443 4.689 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.806 6.300 -4.356 1.00 0.00 H new ATOM 0 HG LEU B 40 7.441 3.857 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU B 40 5.939 3.864 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.617 3.513 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.933 5.133 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU B 40 5.481 5.380 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.480 6.646 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU B 40 6.833 6.103 -6.421 1.00 0.00 H new ATOM 2139 N SER B 41 10.920 7.017 -5.139 1.00 0.00 N ATOM 2140 CA SER B 41 11.888 8.152 -5.173 1.00 0.00 C ATOM 2141 C SER B 41 11.527 9.117 -6.306 1.00 0.00 C ATOM 2142 O SER B 41 12.002 8.987 -7.417 1.00 0.00 O ATOM 2143 CB SER B 41 13.299 7.607 -5.401 1.00 0.00 C ATOM 2144 OG SER B 41 14.246 8.635 -5.145 1.00 0.00 O ATOM 0 H SER B 41 10.646 6.710 -4.205 1.00 0.00 H new ATOM 0 HA SER B 41 11.846 8.686 -4.224 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.483 6.756 -4.746 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.402 7.249 -6.425 1.00 0.00 H new ATOM 0 HG SER B 41 15.151 8.289 -5.289 1.00 0.00 H new ATOM 2150 N HIS B 42 10.690 10.082 -6.036 1.00 0.00 N ATOM 2151 CA HIS B 42 10.305 11.048 -7.106 1.00 0.00 C ATOM 2152 C HIS B 42 9.588 12.250 -6.484 1.00 0.00 C ATOM 2153 O HIS B 42 10.020 13.378 -6.614 1.00 0.00 O ATOM 2154 CB HIS B 42 9.373 10.359 -8.105 1.00 0.00 C ATOM 2155 CG HIS B 42 9.774 10.735 -9.507 1.00 0.00 C ATOM 2156 ND1 HIS B 42 8.941 10.522 -10.594 1.00 0.00 N ATOM 2157 CD2 HIS B 42 10.913 11.310 -10.012 1.00 0.00 C ATOM 2158 CE1 HIS B 42 9.586 10.964 -11.691 1.00 0.00 C ATOM 2159 NE2 HIS B 42 10.793 11.453 -11.392 1.00 0.00 N ATOM 0 H HIS B 42 10.258 10.243 -5.126 1.00 0.00 H new ATOM 0 HA HIS B 42 11.202 11.391 -7.621 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.423 9.277 -7.979 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.340 10.655 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS B 42 11.772 11.607 -9.428 1.00 0.00 H new ATOM 0 HE1 HIS B 42 9.177 10.928 -12.690 1.00 0.00 H new ATOM 0 HE2 HIS B 42 11.479 11.846 -12.036 1.00 0.00 H new ATOM 2167 N PHE B 43 8.490 12.020 -5.814 1.00 0.00 N ATOM 2168 CA PHE B 43 7.746 13.153 -5.193 1.00 0.00 C ATOM 2169 C PHE B 43 8.289 13.422 -3.786 1.00 0.00 C ATOM 2170 O PHE B 43 7.610 13.980 -2.945 1.00 0.00 O ATOM 2171 CB PHE B 43 6.257 12.808 -5.111 1.00 0.00 C ATOM 2172 CG PHE B 43 6.081 11.491 -4.396 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.055 11.452 -2.996 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.941 10.308 -5.132 1.00 0.00 C ATOM 2175 CE1 PHE B 43 5.891 10.229 -2.333 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.776 9.086 -4.470 1.00 0.00 C ATOM 2177 CZ PHE B 43 5.752 9.047 -3.070 1.00 0.00 C ATOM 0 H PHE B 43 8.077 11.098 -5.670 1.00 0.00 H new ATOM 0 HA PHE B 43 7.877 14.045 -5.805 1.00 0.00 H new ATOM 0 HB2 PHE B 43 5.720 13.595 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE B 43 5.831 12.749 -6.113 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.161 12.364 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE B 43 5.960 10.339 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE B 43 5.872 10.198 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE B 43 5.667 8.174 -5.038 1.00 0.00 H new ATOM 0 HZ PHE B 43 5.626 8.104 -2.559 1.00 0.00 H new ATOM 2187 N LEU B 44 9.509 13.041 -3.525 1.00 0.00 N ATOM 2188 CA LEU B 44 10.091 13.288 -2.175 1.00 0.00 C ATOM 2189 C LEU B 44 10.727 14.679 -2.155 1.00 0.00 C ATOM 2190 O LEU B 44 11.560 14.999 -2.980 1.00 0.00 O ATOM 2191 CB LEU B 44 11.158 12.232 -1.872 1.00 0.00 C ATOM 2192 CG LEU B 44 10.715 11.390 -0.675 1.00 0.00 C ATOM 2193 CD1 LEU B 44 9.529 10.515 -1.079 1.00 0.00 C ATOM 2194 CD2 LEU B 44 11.874 10.498 -0.221 1.00 0.00 C ATOM 0 H LEU B 44 10.127 12.570 -4.186 1.00 0.00 H new ATOM 0 HA LEU B 44 9.307 13.229 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.311 11.594 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU B 44 12.112 12.714 -1.658 1.00 0.00 H new ATOM 0 HG LEU B 44 10.420 12.048 0.142 1.00 0.00 H new ATOM 0 HD11 LEU B 44 9.213 9.914 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.703 11.148 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU B 44 9.824 9.857 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU B 44 11.558 9.898 0.632 1.00 0.00 H new ATOM 0 HD22 LEU B 44 12.169 9.840 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.721 11.121 0.067 1.00 0.00 H new ATOM 2206 N GLU B 45 10.338 15.510 -1.227 1.00 0.00 N ATOM 2207 CA GLU B 45 10.921 16.880 -1.168 1.00 0.00 C ATOM 2208 C GLU B 45 11.388 17.183 0.258 1.00 0.00 C ATOM 2209 O GLU B 45 12.562 17.126 0.561 1.00 0.00 O ATOM 2210 CB GLU B 45 9.863 17.903 -1.589 1.00 0.00 C ATOM 2211 CG GLU B 45 9.527 17.707 -3.069 1.00 0.00 C ATOM 2212 CD GLU B 45 9.589 19.054 -3.790 1.00 0.00 C ATOM 2213 OE1 GLU B 45 8.920 19.974 -3.346 1.00 0.00 O ATOM 2214 OE2 GLU B 45 10.304 19.145 -4.776 1.00 0.00 O ATOM 0 H GLU B 45 9.644 15.300 -0.509 1.00 0.00 H new ATOM 0 HA GLU B 45 11.774 16.938 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.965 17.785 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU B 45 10.232 18.915 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.229 17.007 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU B 45 8.533 17.273 -3.172 1.00 0.00 H new ATOM 2221 N GLU B 46 10.477 17.510 1.131 1.00 0.00 N ATOM 2222 CA GLU B 46 10.868 17.824 2.536 1.00 0.00 C ATOM 2223 C GLU B 46 10.452 16.679 3.463 1.00 0.00 C ATOM 2224 O GLU B 46 10.994 16.511 4.537 1.00 0.00 O ATOM 2225 CB GLU B 46 10.171 19.112 2.983 1.00 0.00 C ATOM 2226 CG GLU B 46 8.660 18.971 2.783 1.00 0.00 C ATOM 2227 CD GLU B 46 7.933 20.051 3.586 1.00 0.00 C ATOM 2228 OE1 GLU B 46 8.148 20.117 4.786 1.00 0.00 O ATOM 2229 OE2 GLU B 46 7.171 20.794 2.990 1.00 0.00 O ATOM 0 H GLU B 46 9.478 17.574 0.934 1.00 0.00 H new ATOM 0 HA GLU B 46 11.949 17.952 2.584 1.00 0.00 H new ATOM 0 HB2 GLU B 46 10.393 19.313 4.031 1.00 0.00 H new ATOM 0 HB3 GLU B 46 10.547 19.959 2.410 1.00 0.00 H new ATOM 0 HG2 GLU B 46 8.413 19.062 1.725 1.00 0.00 H new ATOM 0 HG3 GLU B 46 8.331 17.982 3.103 1.00 0.00 H new ATOM 2236 N ILE B 47 9.490 15.893 3.063 1.00 0.00 N ATOM 2237 CA ILE B 47 9.044 14.768 3.931 1.00 0.00 C ATOM 2238 C ILE B 47 8.517 15.333 5.254 1.00 0.00 C ATOM 2239 O ILE B 47 9.251 15.489 6.210 1.00 0.00 O ATOM 2240 CB ILE B 47 10.225 13.835 4.209 1.00 0.00 C ATOM 2241 CG1 ILE B 47 10.997 13.584 2.909 1.00 0.00 C ATOM 2242 CG2 ILE B 47 9.708 12.503 4.755 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.318 12.881 3.229 1.00 0.00 C ATOM 0 H ILE B 47 8.995 15.981 2.175 1.00 0.00 H new ATOM 0 HA ILE B 47 8.254 14.209 3.429 1.00 0.00 H new ATOM 0 HB ILE B 47 10.885 14.298 4.942 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.401 12.972 2.232 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.189 14.528 2.399 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.550 11.839 4.953 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.159 12.678 5.680 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.046 12.041 4.022 1.00 0.00 H new ATOM 0 HD11 ILE B 47 12.868 12.702 2.305 1.00 0.00 H new ATOM 0 HD12 ILE B 47 12.914 13.510 3.890 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.114 11.929 3.720 1.00 0.00 H new ATOM 2255 N LYS B 48 7.252 15.650 5.316 1.00 0.00 N ATOM 2256 CA LYS B 48 6.687 16.215 6.577 1.00 0.00 C ATOM 2257 C LYS B 48 6.600 15.123 7.646 1.00 0.00 C ATOM 2258 O LYS B 48 6.758 15.385 8.822 1.00 0.00 O ATOM 2259 CB LYS B 48 5.291 16.779 6.307 1.00 0.00 C ATOM 2260 CG LYS B 48 5.129 18.110 7.047 1.00 0.00 C ATOM 2261 CD LYS B 48 3.894 18.844 6.520 1.00 0.00 C ATOM 2262 CE LYS B 48 3.676 20.126 7.328 1.00 0.00 C ATOM 2263 NZ LYS B 48 2.395 20.764 6.915 1.00 0.00 N ATOM 0 H LYS B 48 6.586 15.543 4.551 1.00 0.00 H new ATOM 0 HA LYS B 48 7.339 17.013 6.933 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.147 16.925 5.237 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.531 16.071 6.637 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.029 17.932 8.118 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.018 18.726 6.907 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.024 19.085 5.465 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.017 18.201 6.595 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.653 19.897 8.393 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.505 20.815 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.248 21.635 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.434 20.996 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 1.608 20.107 7.090 1.00 0.00 H new ATOM 2277 N GLU B 49 6.351 13.902 7.254 1.00 0.00 N ATOM 2278 CA GLU B 49 6.258 12.811 8.264 1.00 0.00 C ATOM 2279 C GLU B 49 7.656 12.261 8.546 1.00 0.00 C ATOM 2280 O GLU B 49 7.931 11.097 8.330 1.00 0.00 O ATOM 2281 CB GLU B 49 5.366 11.685 7.734 1.00 0.00 C ATOM 2282 CG GLU B 49 3.914 11.961 8.131 1.00 0.00 C ATOM 2283 CD GLU B 49 3.710 11.595 9.603 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.687 11.253 10.248 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.581 11.663 10.058 1.00 0.00 O ATOM 0 H GLU B 49 6.209 13.615 6.285 1.00 0.00 H new ATOM 0 HA GLU B 49 5.826 13.208 9.183 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.452 11.617 6.650 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.690 10.727 8.140 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.675 13.012 7.970 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.237 11.381 7.504 1.00 0.00 H new ATOM 2292 N GLN B 50 8.541 13.087 9.029 1.00 0.00 N ATOM 2293 CA GLN B 50 9.915 12.605 9.326 1.00 0.00 C ATOM 2294 C GLN B 50 9.830 11.388 10.248 1.00 0.00 C ATOM 2295 O GLN B 50 10.740 10.591 10.324 1.00 0.00 O ATOM 2296 CB GLN B 50 10.712 13.716 10.016 1.00 0.00 C ATOM 2297 CG GLN B 50 12.194 13.334 10.051 1.00 0.00 C ATOM 2298 CD GLN B 50 13.011 14.502 10.610 1.00 0.00 C ATOM 2299 OE1 GLN B 50 12.995 15.585 10.062 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.728 14.325 11.686 1.00 0.00 N ATOM 0 H GLN B 50 8.372 14.073 9.230 1.00 0.00 H new ATOM 0 HA GLN B 50 10.415 12.329 8.398 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.581 14.658 9.483 1.00 0.00 H new ATOM 0 HB3 GLN B 50 10.341 13.869 11.029 1.00 0.00 H new ATOM 0 HG2 GLN B 50 12.337 12.448 10.669 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.539 13.082 9.048 1.00 0.00 H new ATOM 0 HE21 GLN B 50 13.741 13.415 12.146 1.00 0.00 H new ATOM 0 HE22 GLN B 50 14.275 15.097 12.067 1.00 0.00 H new ATOM 2309 N GLU B 51 8.738 11.240 10.950 1.00 0.00 N ATOM 2310 CA GLU B 51 8.593 10.074 11.865 1.00 0.00 C ATOM 2311 C GLU B 51 8.194 8.834 11.060 1.00 0.00 C ATOM 2312 O GLU B 51 8.611 7.731 11.354 1.00 0.00 O ATOM 2313 CB GLU B 51 7.515 10.373 12.910 1.00 0.00 C ATOM 2314 CG GLU B 51 8.168 10.543 14.283 1.00 0.00 C ATOM 2315 CD GLU B 51 7.101 10.433 15.376 1.00 0.00 C ATOM 2316 OE1 GLU B 51 6.258 9.559 15.263 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.147 11.223 16.305 1.00 0.00 O ATOM 0 H GLU B 51 7.941 11.877 10.928 1.00 0.00 H new ATOM 0 HA GLU B 51 9.543 9.889 12.366 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.972 11.279 12.639 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.787 9.562 12.940 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.933 9.781 14.430 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.666 11.511 14.343 1.00 0.00 H new ATOM 2324 N VAL B 52 7.390 9.006 10.046 1.00 0.00 N ATOM 2325 CA VAL B 52 6.967 7.836 9.223 1.00 0.00 C ATOM 2326 C VAL B 52 8.167 7.307 8.437 1.00 0.00 C ATOM 2327 O VAL B 52 8.466 6.129 8.460 1.00 0.00 O ATOM 2328 CB VAL B 52 5.870 8.270 8.248 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.428 7.080 7.397 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.671 8.797 9.035 1.00 0.00 C ATOM 0 H VAL B 52 7.008 9.905 9.752 1.00 0.00 H new ATOM 0 HA VAL B 52 6.584 7.051 9.875 1.00 0.00 H new ATOM 0 HB VAL B 52 6.260 9.053 7.598 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.647 7.397 6.706 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.280 6.700 6.833 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.042 6.293 8.045 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.889 9.107 8.342 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.289 8.011 9.686 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.979 9.650 9.639 1.00 0.00 H new ATOM 2340 N VAL B 53 8.855 8.165 7.738 1.00 0.00 N ATOM 2341 CA VAL B 53 10.032 7.705 6.951 1.00 0.00 C ATOM 2342 C VAL B 53 11.185 7.380 7.897 1.00 0.00 C ATOM 2343 O VAL B 53 11.991 6.519 7.624 1.00 0.00 O ATOM 2344 CB VAL B 53 10.463 8.801 5.975 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.587 8.275 5.079 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.270 9.206 5.107 1.00 0.00 C ATOM 0 H VAL B 53 8.654 9.163 7.678 1.00 0.00 H new ATOM 0 HA VAL B 53 9.761 6.811 6.390 1.00 0.00 H new ATOM 0 HB VAL B 53 10.819 9.666 6.535 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.894 9.056 4.384 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.437 7.983 5.695 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.231 7.410 4.519 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.575 9.987 4.411 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.916 8.340 4.548 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.468 9.580 5.743 1.00 0.00 H new ATOM 2356 N ASP B 54 11.271 8.050 9.011 1.00 0.00 N ATOM 2357 CA ASP B 54 12.375 7.753 9.966 1.00 0.00 C ATOM 2358 C ASP B 54 12.008 6.506 10.768 1.00 0.00 C ATOM 2359 O ASP B 54 12.854 5.865 11.358 1.00 0.00 O ATOM 2360 CB ASP B 54 12.574 8.933 10.921 1.00 0.00 C ATOM 2361 CG ASP B 54 13.812 8.687 11.786 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.731 8.044 11.303 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.820 9.148 12.917 1.00 0.00 O ATOM 0 H ASP B 54 10.628 8.787 9.301 1.00 0.00 H new ATOM 0 HA ASP B 54 13.300 7.586 9.414 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.691 9.857 10.355 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.694 9.055 11.553 1.00 0.00 H new ATOM 2368 N LYS B 55 10.751 6.154 10.791 1.00 0.00 N ATOM 2369 CA LYS B 55 10.332 4.945 11.550 1.00 0.00 C ATOM 2370 C LYS B 55 10.608 3.698 10.708 1.00 0.00 C ATOM 2371 O LYS B 55 11.206 2.747 11.171 1.00 0.00 O ATOM 2372 CB LYS B 55 8.838 5.035 11.872 1.00 0.00 C ATOM 2373 CG LYS B 55 8.384 3.749 12.565 1.00 0.00 C ATOM 2374 CD LYS B 55 7.737 2.817 11.539 1.00 0.00 C ATOM 2375 CE LYS B 55 7.462 1.459 12.185 1.00 0.00 C ATOM 2376 NZ LYS B 55 5.991 1.234 12.256 1.00 0.00 N ATOM 0 H LYS B 55 9.998 6.652 10.317 1.00 0.00 H new ATOM 0 HA LYS B 55 10.895 4.883 12.481 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.645 5.894 12.515 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.267 5.188 10.956 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.236 3.256 13.034 1.00 0.00 H new ATOM 0 HG3 LYS B 55 7.674 3.982 13.359 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.807 3.252 11.172 1.00 0.00 H new ATOM 0 HD3 LYS B 55 8.394 2.695 10.678 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.935 0.666 11.606 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.895 1.425 13.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.793 0.428 12.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.527 2.086 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.625 1.030 11.304 1.00 0.00 H new ATOM 2390 N VAL B 56 10.191 3.696 9.470 1.00 0.00 N ATOM 2391 CA VAL B 56 10.446 2.510 8.606 1.00 0.00 C ATOM 2392 C VAL B 56 11.906 2.533 8.163 1.00 0.00 C ATOM 2393 O VAL B 56 12.553 1.511 8.043 1.00 0.00 O ATOM 2394 CB VAL B 56 9.536 2.554 7.376 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.146 2.037 7.748 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.420 3.994 6.866 1.00 0.00 C ATOM 0 H VAL B 56 9.687 4.461 9.022 1.00 0.00 H new ATOM 0 HA VAL B 56 10.238 1.597 9.164 1.00 0.00 H new ATOM 0 HB VAL B 56 9.963 1.926 6.594 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.499 2.069 6.871 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.223 1.010 8.105 1.00 0.00 H new ATOM 0 HG13 VAL B 56 7.723 2.663 8.534 1.00 0.00 H new ATOM 0 HG21 VAL B 56 8.771 4.019 5.991 1.00 0.00 H new ATOM 0 HG22 VAL B 56 8.998 4.624 7.649 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.409 4.365 6.595 1.00 0.00 H new ATOM 2406 N MET B 57 12.431 3.701 7.935 1.00 0.00 N ATOM 2407 CA MET B 57 13.852 3.817 7.518 1.00 0.00 C ATOM 2408 C MET B 57 14.738 3.480 8.713 1.00 0.00 C ATOM 2409 O MET B 57 15.867 3.060 8.563 1.00 0.00 O ATOM 2410 CB MET B 57 14.128 5.249 7.061 1.00 0.00 C ATOM 2411 CG MET B 57 15.491 5.318 6.375 1.00 0.00 C ATOM 2412 SD MET B 57 15.378 6.376 4.909 1.00 0.00 S ATOM 2413 CE MET B 57 14.429 5.237 3.869 1.00 0.00 C ATOM 0 H MET B 57 11.933 4.587 8.020 1.00 0.00 H new ATOM 0 HA MET B 57 14.062 3.132 6.696 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.348 5.578 6.375 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.106 5.924 7.916 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.237 5.713 7.065 1.00 0.00 H new ATOM 0 HG3 MET B 57 15.818 4.318 6.090 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.922 5.130 2.903 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.369 4.264 4.356 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.424 5.631 3.721 1.00 0.00 H new ATOM 2423 N GLU B 58 14.229 3.650 9.906 1.00 0.00 N ATOM 2424 CA GLU B 58 15.043 3.321 11.111 1.00 0.00 C ATOM 2425 C GLU B 58 15.134 1.801 11.241 1.00 0.00 C ATOM 2426 O GLU B 58 16.210 1.238 11.289 1.00 0.00 O ATOM 2427 CB GLU B 58 14.381 3.903 12.364 1.00 0.00 C ATOM 2428 CG GLU B 58 15.000 5.266 12.682 1.00 0.00 C ATOM 2429 CD GLU B 58 14.247 5.912 13.847 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.400 5.247 14.421 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.530 7.060 14.147 1.00 0.00 O ATOM 0 H GLU B 58 13.290 4.000 10.096 1.00 0.00 H new ATOM 0 HA GLU B 58 16.040 3.749 11.008 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.308 4.007 12.206 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.515 3.225 13.207 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.053 5.148 12.937 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.955 5.911 11.804 1.00 0.00 H new ATOM 2438 N THR B 59 14.015 1.126 11.279 1.00 0.00 N ATOM 2439 CA THR B 59 14.055 -0.358 11.383 1.00 0.00 C ATOM 2440 C THR B 59 14.786 -0.902 10.157 1.00 0.00 C ATOM 2441 O THR B 59 15.391 -1.954 10.189 1.00 0.00 O ATOM 2442 CB THR B 59 12.629 -0.913 11.422 1.00 0.00 C ATOM 2443 OG1 THR B 59 11.851 -0.151 12.336 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.659 -2.376 11.869 1.00 0.00 C ATOM 0 H THR B 59 13.082 1.537 11.243 1.00 0.00 H new ATOM 0 HA THR B 59 14.572 -0.658 12.295 1.00 0.00 H new ATOM 0 HB THR B 59 12.187 -0.850 10.428 1.00 0.00 H new ATOM 0 HG1 THR B 59 10.937 -0.504 12.361 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.643 -2.769 11.896 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.255 -2.959 11.167 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.101 -2.444 12.863 1.00 0.00 H new ATOM 2452 N LEU B 60 14.741 -0.174 9.076 1.00 0.00 N ATOM 2453 CA LEU B 60 15.436 -0.617 7.837 1.00 0.00 C ATOM 2454 C LEU B 60 16.948 -0.610 8.080 1.00 0.00 C ATOM 2455 O LEU B 60 17.629 -1.595 7.872 1.00 0.00 O ATOM 2456 CB LEU B 60 15.096 0.359 6.708 1.00 0.00 C ATOM 2457 CG LEU B 60 13.878 -0.151 5.938 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.407 0.923 4.956 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.257 -1.416 5.165 1.00 0.00 C ATOM 0 H LEU B 60 14.248 0.716 8.998 1.00 0.00 H new ATOM 0 HA LEU B 60 15.117 -1.623 7.565 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.892 1.348 7.118 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.947 0.463 6.035 1.00 0.00 H new ATOM 0 HG LEU B 60 13.075 -0.379 6.639 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.539 0.559 4.407 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.137 1.825 5.505 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.209 1.152 4.255 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.389 -1.780 4.616 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.060 -1.187 4.464 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.592 -2.183 5.864 1.00 0.00 H new ATOM 2471 N ASP B 61 17.469 0.501 8.518 1.00 0.00 N ATOM 2472 CA ASP B 61 18.931 0.602 8.783 1.00 0.00 C ATOM 2473 C ASP B 61 19.254 -0.022 10.144 1.00 0.00 C ATOM 2474 O ASP B 61 20.399 -0.107 10.541 1.00 0.00 O ATOM 2475 CB ASP B 61 19.334 2.078 8.798 1.00 0.00 C ATOM 2476 CG ASP B 61 20.539 2.289 7.879 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.328 2.469 6.691 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.651 2.268 8.379 1.00 0.00 O ATOM 0 H ASP B 61 16.939 1.352 8.706 1.00 0.00 H new ATOM 0 HA ASP B 61 19.480 0.073 8.004 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.499 2.697 8.468 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.579 2.388 9.814 1.00 0.00 H new ATOM 2483 N GLU B 62 18.255 -0.450 10.868 1.00 0.00 N ATOM 2484 CA GLU B 62 18.511 -1.055 12.205 1.00 0.00 C ATOM 2485 C GLU B 62 18.958 -2.507 12.044 1.00 0.00 C ATOM 2486 O GLU B 62 19.871 -2.962 12.705 1.00 0.00 O ATOM 2487 CB GLU B 62 17.230 -1.009 13.042 1.00 0.00 C ATOM 2488 CG GLU B 62 17.517 -1.552 14.442 1.00 0.00 C ATOM 2489 CD GLU B 62 16.203 -1.700 15.212 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.216 -1.135 14.773 1.00 0.00 O ATOM 2491 OE2 GLU B 62 16.208 -2.376 16.228 1.00 0.00 O ATOM 0 H GLU B 62 17.274 -0.407 10.591 1.00 0.00 H new ATOM 0 HA GLU B 62 19.297 -0.490 12.706 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.861 0.015 13.106 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.449 -1.600 12.564 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.021 -2.516 14.373 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.189 -0.878 14.974 1.00 0.00 H new ATOM 2498 N ASP B 63 18.324 -3.239 11.174 1.00 0.00 N ATOM 2499 CA ASP B 63 18.720 -4.664 10.977 1.00 0.00 C ATOM 2500 C ASP B 63 19.706 -4.768 9.817 1.00 0.00 C ATOM 2501 O ASP B 63 20.825 -5.213 9.978 1.00 0.00 O ATOM 2502 CB ASP B 63 17.488 -5.532 10.681 1.00 0.00 C ATOM 2503 CG ASP B 63 16.382 -4.687 10.045 1.00 0.00 C ATOM 2504 OD1 ASP B 63 16.384 -4.560 8.831 1.00 0.00 O ATOM 2505 OD2 ASP B 63 15.549 -4.188 10.784 1.00 0.00 O ATOM 0 H ASP B 63 17.551 -2.916 10.592 1.00 0.00 H new ATOM 0 HA ASP B 63 19.190 -5.023 11.893 1.00 0.00 H new ATOM 0 HB2 ASP B 63 17.762 -6.348 10.012 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.124 -5.985 11.603 1.00 0.00 H new ATOM 2510 N GLY B 64 19.300 -4.369 8.646 1.00 0.00 N ATOM 2511 CA GLY B 64 20.216 -4.451 7.474 1.00 0.00 C ATOM 2512 C GLY B 64 20.926 -5.809 7.481 1.00 0.00 C ATOM 2513 O GLY B 64 22.017 -5.955 6.969 1.00 0.00 O ATOM 0 H GLY B 64 18.374 -3.990 8.448 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.653 -4.326 6.549 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.948 -3.645 7.513 1.00 0.00 H new ATOM 2517 N ASP B 65 20.317 -6.800 8.075 1.00 0.00 N ATOM 2518 CA ASP B 65 20.957 -8.141 8.137 1.00 0.00 C ATOM 2519 C ASP B 65 19.906 -9.256 8.011 1.00 0.00 C ATOM 2520 O ASP B 65 20.244 -10.420 7.917 1.00 0.00 O ATOM 2521 CB ASP B 65 21.654 -8.270 9.486 1.00 0.00 C ATOM 2522 CG ASP B 65 22.784 -9.298 9.390 1.00 0.00 C ATOM 2523 OD1 ASP B 65 23.022 -9.788 8.297 1.00 0.00 O ATOM 2524 OD2 ASP B 65 23.391 -9.577 10.411 1.00 0.00 O ATOM 0 H ASP B 65 19.402 -6.736 8.520 1.00 0.00 H new ATOM 0 HA ASP B 65 21.666 -8.240 7.315 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.054 -7.304 9.793 1.00 0.00 H new ATOM 0 HB3 ASP B 65 20.937 -8.574 10.248 1.00 0.00 H new ATOM 2529 N GLY B 66 18.640 -8.926 8.023 1.00 0.00 N ATOM 2530 CA GLY B 66 17.601 -9.986 7.921 1.00 0.00 C ATOM 2531 C GLY B 66 16.809 -9.830 6.621 1.00 0.00 C ATOM 2532 O GLY B 66 17.219 -9.140 5.707 1.00 0.00 O ATOM 0 H GLY B 66 18.285 -7.973 8.099 1.00 0.00 H new ATOM 0 HA2 GLY B 66 18.070 -10.969 7.953 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.926 -9.927 8.775 1.00 0.00 H new ATOM 2536 N GLU B 67 15.676 -10.471 6.533 1.00 0.00 N ATOM 2537 CA GLU B 67 14.848 -10.372 5.297 1.00 0.00 C ATOM 2538 C GLU B 67 13.463 -9.819 5.652 1.00 0.00 C ATOM 2539 O GLU B 67 13.003 -9.942 6.771 1.00 0.00 O ATOM 2540 CB GLU B 67 14.702 -11.763 4.673 1.00 0.00 C ATOM 2541 CG GLU B 67 16.027 -12.175 4.025 1.00 0.00 C ATOM 2542 CD GLU B 67 16.551 -13.446 4.695 1.00 0.00 C ATOM 2543 OE1 GLU B 67 16.524 -13.504 5.914 1.00 0.00 O ATOM 2544 OE2 GLU B 67 16.974 -14.340 3.978 1.00 0.00 O ATOM 0 H GLU B 67 15.286 -11.062 7.267 1.00 0.00 H new ATOM 0 HA GLU B 67 15.331 -9.703 4.585 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.418 -12.487 5.436 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.907 -11.757 3.927 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.884 -12.346 2.958 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.757 -11.372 4.124 1.00 0.00 H new ATOM 2551 N CYS B 68 12.794 -9.209 4.709 1.00 0.00 N ATOM 2552 CA CYS B 68 11.442 -8.649 4.992 1.00 0.00 C ATOM 2553 C CYS B 68 10.369 -9.611 4.472 1.00 0.00 C ATOM 2554 O CYS B 68 10.649 -10.506 3.699 1.00 0.00 O ATOM 2555 CB CYS B 68 11.299 -7.300 4.286 1.00 0.00 C ATOM 2556 SG CYS B 68 12.071 -6.008 5.293 1.00 0.00 S ATOM 0 H CYS B 68 13.127 -9.075 3.754 1.00 0.00 H new ATOM 0 HA CYS B 68 11.319 -8.517 6.067 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.769 -7.340 3.303 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.245 -7.071 4.126 1.00 0.00 H new ATOM 0 HG CYS B 68 11.181 -5.115 5.610 1.00 0.00 H new ATOM 2562 N ASP B 69 9.142 -9.432 4.887 1.00 0.00 N ATOM 2563 CA ASP B 69 8.059 -10.339 4.407 1.00 0.00 C ATOM 2564 C ASP B 69 7.249 -9.634 3.322 1.00 0.00 C ATOM 2565 O ASP B 69 7.673 -8.642 2.763 1.00 0.00 O ATOM 2566 CB ASP B 69 7.132 -10.704 5.568 1.00 0.00 C ATOM 2567 CG ASP B 69 6.801 -12.196 5.507 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.243 -12.844 4.572 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.111 -12.666 6.397 1.00 0.00 O ATOM 0 H ASP B 69 8.845 -8.701 5.534 1.00 0.00 H new ATOM 0 HA ASP B 69 8.507 -11.247 4.003 1.00 0.00 H new ATOM 0 HB2 ASP B 69 7.610 -10.465 6.518 1.00 0.00 H new ATOM 0 HB3 ASP B 69 6.216 -10.115 5.515 1.00 0.00 H new ATOM 2574 N PHE B 70 6.083 -10.132 3.022 1.00 0.00 N ATOM 2575 CA PHE B 70 5.249 -9.482 1.976 1.00 0.00 C ATOM 2576 C PHE B 70 4.307 -8.473 2.638 1.00 0.00 C ATOM 2577 O PHE B 70 4.007 -7.437 2.082 1.00 0.00 O ATOM 2578 CB PHE B 70 4.454 -10.543 1.202 1.00 0.00 C ATOM 2579 CG PHE B 70 3.227 -10.961 1.979 1.00 0.00 C ATOM 2580 CD1 PHE B 70 3.351 -11.797 3.096 1.00 0.00 C ATOM 2581 CD2 PHE B 70 1.961 -10.524 1.570 1.00 0.00 C ATOM 2582 CE1 PHE B 70 2.209 -12.192 3.804 1.00 0.00 C ATOM 2583 CE2 PHE B 70 0.821 -10.921 2.276 1.00 0.00 C ATOM 2584 CZ PHE B 70 0.945 -11.754 3.393 1.00 0.00 C ATOM 0 H PHE B 70 5.673 -10.959 3.455 1.00 0.00 H new ATOM 0 HA PHE B 70 5.890 -8.956 1.268 1.00 0.00 H new ATOM 0 HB2 PHE B 70 4.158 -10.147 0.231 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.085 -11.412 1.013 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.327 -12.137 3.411 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.865 -9.880 0.709 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.304 -12.834 4.667 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -0.155 -10.585 1.959 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.064 -12.059 3.939 1.00 0.00 H new ATOM 2594 N GLN B 71 3.858 -8.756 3.832 1.00 0.00 N ATOM 2595 CA GLN B 71 2.961 -7.796 4.537 1.00 0.00 C ATOM 2596 C GLN B 71 3.825 -6.697 5.153 1.00 0.00 C ATOM 2597 O GLN B 71 3.374 -5.599 5.407 1.00 0.00 O ATOM 2598 CB GLN B 71 2.196 -8.516 5.651 1.00 0.00 C ATOM 2599 CG GLN B 71 1.181 -9.479 5.036 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.209 -9.187 5.604 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.867 -10.071 6.117 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.690 -7.976 5.532 1.00 0.00 N ATOM 0 H GLN B 71 4.073 -9.609 4.348 1.00 0.00 H new ATOM 0 HA GLN B 71 2.246 -7.373 3.832 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.891 -9.062 6.289 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.686 -7.790 6.284 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.172 -9.371 3.951 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.464 -10.509 5.251 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.139 -7.233 5.102 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.617 -7.772 5.906 1.00 0.00 H new ATOM 2611 N GLU B 72 5.072 -6.998 5.390 1.00 0.00 N ATOM 2612 CA GLU B 72 5.990 -5.991 5.986 1.00 0.00 C ATOM 2613 C GLU B 72 6.430 -5.013 4.897 1.00 0.00 C ATOM 2614 O GLU B 72 6.279 -3.814 5.028 1.00 0.00 O ATOM 2615 CB GLU B 72 7.213 -6.711 6.561 1.00 0.00 C ATOM 2616 CG GLU B 72 6.935 -7.100 8.014 1.00 0.00 C ATOM 2617 CD GLU B 72 7.887 -6.341 8.940 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.369 -5.297 8.535 1.00 0.00 O ATOM 2619 OE2 GLU B 72 8.119 -6.818 10.040 1.00 0.00 O ATOM 0 H GLU B 72 5.496 -7.905 5.194 1.00 0.00 H new ATOM 0 HA GLU B 72 5.484 -5.444 6.781 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.436 -7.600 5.971 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.089 -6.064 6.507 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.901 -6.870 8.271 1.00 0.00 H new ATOM 0 HG3 GLU B 72 7.064 -8.174 8.144 1.00 0.00 H new ATOM 2626 N PHE B 73 6.962 -5.514 3.816 1.00 0.00 N ATOM 2627 CA PHE B 73 7.395 -4.613 2.716 1.00 0.00 C ATOM 2628 C PHE B 73 6.151 -3.918 2.145 1.00 0.00 C ATOM 2629 O PHE B 73 6.238 -2.897 1.494 1.00 0.00 O ATOM 2630 CB PHE B 73 8.126 -5.452 1.639 1.00 0.00 C ATOM 2631 CG PHE B 73 7.502 -5.265 0.270 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.291 -5.897 -0.036 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.132 -4.458 -0.684 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.709 -5.722 -1.298 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.551 -4.283 -1.946 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.340 -4.915 -2.252 1.00 0.00 C ATOM 0 H PHE B 73 7.115 -6.509 3.649 1.00 0.00 H new ATOM 0 HA PHE B 73 8.086 -3.850 3.075 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.177 -5.164 1.603 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.094 -6.506 1.914 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.805 -6.520 0.701 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.066 -3.970 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.775 -6.209 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE B 73 8.037 -3.661 -2.683 1.00 0.00 H new ATOM 0 HZ PHE B 73 5.892 -4.780 -3.225 1.00 0.00 H new ATOM 2646 N MET B 74 4.994 -4.472 2.391 1.00 0.00 N ATOM 2647 CA MET B 74 3.741 -3.856 1.874 1.00 0.00 C ATOM 2648 C MET B 74 3.356 -2.668 2.755 1.00 0.00 C ATOM 2649 O MET B 74 3.132 -1.573 2.276 1.00 0.00 O ATOM 2650 CB MET B 74 2.616 -4.896 1.904 1.00 0.00 C ATOM 2651 CG MET B 74 2.346 -5.404 0.486 1.00 0.00 C ATOM 2652 SD MET B 74 0.840 -4.632 -0.153 1.00 0.00 S ATOM 2653 CE MET B 74 1.642 -3.497 -1.312 1.00 0.00 C ATOM 0 H MET B 74 4.864 -5.328 2.930 1.00 0.00 H new ATOM 0 HA MET B 74 3.898 -3.514 0.851 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.893 -5.727 2.552 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.711 -4.455 2.321 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.191 -5.171 -0.162 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.238 -6.489 0.491 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.882 -2.946 -1.866 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.269 -2.796 -0.760 1.00 0.00 H new ATOM 0 HE3 MET B 74 2.259 -4.064 -2.009 1.00 0.00 H new ATOM 2663 N ALA B 75 3.280 -2.871 4.041 1.00 0.00 N ATOM 2664 CA ALA B 75 2.913 -1.749 4.947 1.00 0.00 C ATOM 2665 C ALA B 75 4.074 -0.756 5.002 1.00 0.00 C ATOM 2666 O ALA B 75 3.916 0.379 5.405 1.00 0.00 O ATOM 2667 CB ALA B 75 2.634 -2.296 6.349 1.00 0.00 C ATOM 0 H ALA B 75 3.456 -3.764 4.502 1.00 0.00 H new ATOM 0 HA ALA B 75 2.019 -1.248 4.575 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.365 -1.475 7.013 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.812 -3.010 6.304 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.526 -2.793 6.730 1.00 0.00 H new ATOM 2673 N PHE B 76 5.240 -1.177 4.591 1.00 0.00 N ATOM 2674 CA PHE B 76 6.416 -0.263 4.613 1.00 0.00 C ATOM 2675 C PHE B 76 6.372 0.660 3.391 1.00 0.00 C ATOM 2676 O PHE B 76 6.696 1.827 3.473 1.00 0.00 O ATOM 2677 CB PHE B 76 7.704 -1.093 4.575 1.00 0.00 C ATOM 2678 CG PHE B 76 8.326 -1.128 5.953 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.773 -1.941 6.949 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.458 -0.351 6.232 1.00 0.00 C ATOM 2681 CE1 PHE B 76 8.351 -1.979 8.224 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.036 -0.389 7.508 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.482 -1.202 8.504 1.00 0.00 C ATOM 0 H PHE B 76 5.428 -2.116 4.241 1.00 0.00 H new ATOM 0 HA PHE B 76 6.392 0.337 5.522 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.486 -2.106 4.238 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.405 -0.663 3.859 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.900 -2.539 6.734 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.885 0.277 5.464 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.924 -2.608 8.992 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.909 0.209 7.723 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.927 -1.230 9.488 1.00 0.00 H new ATOM 2693 N VAL B 77 5.980 0.142 2.256 1.00 0.00 N ATOM 2694 CA VAL B 77 5.923 0.984 1.024 1.00 0.00 C ATOM 2695 C VAL B 77 4.763 1.981 1.116 1.00 0.00 C ATOM 2696 O VAL B 77 4.791 3.032 0.509 1.00 0.00 O ATOM 2697 CB VAL B 77 5.717 0.078 -0.191 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.683 0.928 -1.463 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.871 -0.924 -0.283 1.00 0.00 C ATOM 0 H VAL B 77 5.696 -0.830 2.129 1.00 0.00 H new ATOM 0 HA VAL B 77 6.857 1.537 0.925 1.00 0.00 H new ATOM 0 HB VAL B 77 4.774 -0.459 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.536 0.282 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.863 1.643 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.626 1.465 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.724 -1.570 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.813 -0.386 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.899 -1.531 0.622 1.00 0.00 H new ATOM 2709 N SER B 78 3.738 1.658 1.855 1.00 0.00 N ATOM 2710 CA SER B 78 2.577 2.590 1.962 1.00 0.00 C ATOM 2711 C SER B 78 2.901 3.742 2.922 1.00 0.00 C ATOM 2712 O SER B 78 2.606 4.889 2.649 1.00 0.00 O ATOM 2713 CB SER B 78 1.360 1.825 2.482 1.00 0.00 C ATOM 2714 OG SER B 78 1.277 0.569 1.818 1.00 0.00 O ATOM 0 H SER B 78 3.653 0.793 2.388 1.00 0.00 H new ATOM 0 HA SER B 78 2.364 3.002 0.976 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.442 1.676 3.559 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.452 2.402 2.309 1.00 0.00 H new ATOM 0 HG SER B 78 0.340 0.287 1.767 1.00 0.00 H new ATOM 2720 N MET B 79 3.489 3.448 4.049 1.00 0.00 N ATOM 2721 CA MET B 79 3.813 4.525 5.027 1.00 0.00 C ATOM 2722 C MET B 79 4.706 5.588 4.378 1.00 0.00 C ATOM 2723 O MET B 79 4.498 6.773 4.551 1.00 0.00 O ATOM 2724 CB MET B 79 4.547 3.914 6.221 1.00 0.00 C ATOM 2725 CG MET B 79 3.798 2.673 6.709 1.00 0.00 C ATOM 2726 SD MET B 79 3.082 3.003 8.339 1.00 0.00 S ATOM 2727 CE MET B 79 4.511 2.488 9.324 1.00 0.00 C ATOM 0 H MET B 79 3.759 2.507 4.335 1.00 0.00 H new ATOM 0 HA MET B 79 2.886 4.995 5.355 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.565 3.647 5.936 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.622 4.645 7.026 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.012 2.408 6.002 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.478 1.823 6.764 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.286 2.610 10.383 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.736 1.441 9.119 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.373 3.102 9.063 1.00 0.00 H new ATOM 2737 N VAL B 80 5.710 5.177 3.652 1.00 0.00 N ATOM 2738 CA VAL B 80 6.627 6.166 3.018 1.00 0.00 C ATOM 2739 C VAL B 80 5.916 6.915 1.885 1.00 0.00 C ATOM 2740 O VAL B 80 6.078 8.109 1.729 1.00 0.00 O ATOM 2741 CB VAL B 80 7.856 5.438 2.470 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.827 5.155 3.620 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.430 4.116 1.821 1.00 0.00 C ATOM 0 H VAL B 80 5.935 4.199 3.471 1.00 0.00 H new ATOM 0 HA VAL B 80 6.935 6.893 3.769 1.00 0.00 H new ATOM 0 HB VAL B 80 8.344 6.062 1.721 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.705 4.636 3.235 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.133 6.096 4.078 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.335 4.531 4.366 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.309 3.602 1.432 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.940 3.487 2.564 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.737 4.318 1.004 1.00 0.00 H new ATOM 2753 N THR B 81 5.128 6.237 1.093 1.00 0.00 N ATOM 2754 CA THR B 81 4.420 6.941 -0.017 1.00 0.00 C ATOM 2755 C THR B 81 3.392 7.911 0.574 1.00 0.00 C ATOM 2756 O THR B 81 2.801 8.707 -0.127 1.00 0.00 O ATOM 2757 CB THR B 81 3.707 5.919 -0.909 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.513 4.756 -1.032 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.466 6.520 -2.299 1.00 0.00 C ATOM 0 H THR B 81 4.945 5.236 1.165 1.00 0.00 H new ATOM 0 HA THR B 81 5.144 7.494 -0.616 1.00 0.00 H new ATOM 0 HB THR B 81 2.749 5.656 -0.459 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.430 4.213 -0.221 1.00 0.00 H new ATOM 0 HG21 THR B 81 2.959 5.789 -2.929 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.846 7.412 -2.207 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.421 6.787 -2.751 1.00 0.00 H new ATOM 2767 N THR B 82 3.173 7.850 1.862 1.00 0.00 N ATOM 2768 CA THR B 82 2.183 8.768 2.496 1.00 0.00 C ATOM 2769 C THR B 82 2.896 9.680 3.503 1.00 0.00 C ATOM 2770 O THR B 82 2.284 10.516 4.140 1.00 0.00 O ATOM 2771 CB THR B 82 1.119 7.942 3.224 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.751 6.901 3.956 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.153 7.336 2.204 1.00 0.00 C ATOM 0 H THR B 82 3.637 7.204 2.501 1.00 0.00 H new ATOM 0 HA THR B 82 1.711 9.378 1.726 1.00 0.00 H new ATOM 0 HB THR B 82 0.565 8.585 3.908 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.743 6.077 3.426 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.604 6.748 2.724 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.331 8.135 1.642 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.704 6.692 1.518 1.00 0.00 H new ATOM 2781 N ALA B 83 4.182 9.524 3.656 1.00 0.00 N ATOM 2782 CA ALA B 83 4.928 10.379 4.623 1.00 0.00 C ATOM 2783 C ALA B 83 4.804 11.849 4.215 1.00 0.00 C ATOM 2784 O ALA B 83 4.239 12.655 4.929 1.00 0.00 O ATOM 2785 CB ALA B 83 6.403 9.975 4.629 1.00 0.00 C ATOM 0 H ALA B 83 4.749 8.841 3.153 1.00 0.00 H new ATOM 0 HA ALA B 83 4.509 10.245 5.620 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.949 10.600 5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.493 8.930 4.924 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.820 10.107 3.631 1.00 0.00 H new