USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1125 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 114 ASN : amide:sc= 0.419 K(o=0.42,f=-0.87) USER MOD Set 1.2: A 117 MET CE :methyl -154:sc= 0 (180deg=-0.179) USER MOD Set 2.1: A 64 GLN : amide:sc= 1.04 K(o=3.4,f=2.2) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0363 K(o=3.4,f=2.2) USER MOD Set 2.3: A 69 HIS : +bothHN:sc= 2.34 K(o=3.4,f=-13!) USER MOD Set 3.1: A 31 GLN : amide:sc= 0.988 K(o=1,f=-1.4) USER MOD Set 3.2: A 35 ASN : amide:sc= 0.0408 K(o=1,f=-0.28) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 7 GLN : amide:sc= 0.858 K(o=0.86,f=0) USER MOD Single : A 8 MET CE :methyl -115:sc= -0.0125 (180deg=-0.117) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0408 K(o=-0.041,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0509) USER MOD Single : A 16 MET CE :methyl -162:sc= -0.0155 (180deg=-0.346) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.00079) USER MOD Single : A 30 MET CE :methyl -119:sc= 0 (180deg=-0.0936) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0.145 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 1.14 K(o=1.1,f=-0.00095) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0409 K(o=0.041,f=-0.81) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0827) USER MOD Single : A 66 MET CE :methyl -131:sc= 0 (180deg=-0.084) USER MOD Single : A 70 HIS : no HE2:sc= -2.76! C(o=-2.8!,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0498) USER MOD Single : A 74 MET CE :methyl -123:sc= 0 (180deg=-0.183) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.107 (180deg=-0.143) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-5.9!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.397 X(o=-0.4,f=0.0065) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 0.815 (180deg=0.527) USER MOD Single : A 95 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-5.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.119) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.423 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 164:sc= 0.573 (180deg=0.254) USER MOD Single : A 124 HIS : no HE2:sc= 1.24 K(o=1.2,f=-3.9!) USER MOD Single : A 125 LYS NZ :NH3+ 158:sc= 0.738 (180deg=0.441) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0998 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.862 6.186 10.442 1.00 31.52 N ATOM 2 CA SER A 1 16.590 5.496 10.898 1.00 71.41 C ATOM 3 C SER A 1 16.176 4.282 10.083 1.00 2.04 C ATOM 4 O SER A 1 15.742 3.271 10.633 1.00 44.11 O ATOM 5 CB SER A 1 15.388 6.493 10.908 1.00 31.31 C ATOM 6 OG SER A 1 15.552 7.517 11.891 1.00 4.00 O ATOM 0 H1 SER A 1 18.057 6.999 11.061 1.00 31.52 H new ATOM 0 H2 SER A 1 18.656 5.516 10.490 1.00 31.52 H new ATOM 0 H3 SER A 1 17.746 6.516 9.463 1.00 31.52 H new ATOM 0 HA SER A 1 16.836 5.141 11.899 1.00 71.41 H new ATOM 0 HB2 SER A 1 15.286 6.949 9.923 1.00 31.31 H new ATOM 0 HB3 SER A 1 14.465 5.947 11.103 1.00 31.31 H new ATOM 0 HG SER A 1 14.781 8.122 11.865 1.00 4.00 H new ATOM 14 N LYS A 2 16.293 4.344 8.736 1.00 32.15 N ATOM 15 CA LYS A 2 15.753 3.357 7.815 1.00 71.00 C ATOM 16 C LYS A 2 16.353 1.973 7.986 1.00 1.23 C ATOM 17 O LYS A 2 15.642 0.972 8.022 1.00 74.22 O ATOM 18 CB LYS A 2 15.985 3.804 6.354 1.00 50.11 C ATOM 19 CG LYS A 2 15.181 5.049 5.949 1.00 41.51 C ATOM 20 CD LYS A 2 15.474 5.454 4.496 1.00 70.15 C ATOM 21 CE LYS A 2 14.659 6.659 4.032 1.00 21.22 C ATOM 22 NZ LYS A 2 14.996 6.972 2.631 1.00 42.51 N ATOM 0 H LYS A 2 16.780 5.106 8.264 1.00 32.15 H new ATOM 0 HA LYS A 2 14.690 3.292 8.046 1.00 71.00 H new ATOM 0 HB2 LYS A 2 17.046 4.006 6.210 1.00 50.11 H new ATOM 0 HB3 LYS A 2 15.724 2.982 5.687 1.00 50.11 H new ATOM 0 HG2 LYS A 2 14.116 4.850 6.066 1.00 41.51 H new ATOM 0 HG3 LYS A 2 15.426 5.876 6.616 1.00 41.51 H new ATOM 0 HD2 LYS A 2 16.535 5.681 4.396 1.00 70.15 H new ATOM 0 HD3 LYS A 2 15.266 4.608 3.841 1.00 70.15 H new ATOM 0 HE2 LYS A 2 13.594 6.447 4.122 1.00 21.22 H new ATOM 0 HE3 LYS A 2 14.868 7.519 4.668 1.00 21.22 H new ATOM 0 HZ1 LYS A 2 14.441 7.793 2.315 1.00 42.51 H new ATOM 0 HZ2 LYS A 2 16.010 7.191 2.559 1.00 42.51 H new ATOM 0 HZ3 LYS A 2 14.775 6.153 2.030 1.00 42.51 H new ATOM 36 N GLU A 3 17.692 1.902 8.146 1.00 54.21 N ATOM 37 CA GLU A 3 18.445 0.674 8.338 1.00 42.30 C ATOM 38 C GLU A 3 18.484 0.178 9.761 1.00 34.12 C ATOM 39 O GLU A 3 19.102 -0.832 10.086 1.00 40.24 O ATOM 40 CB GLU A 3 19.893 0.779 7.765 1.00 41.21 C ATOM 41 CG GLU A 3 20.874 1.749 8.489 1.00 13.32 C ATOM 42 CD GLU A 3 20.789 3.203 8.017 1.00 74.22 C ATOM 43 OE1 GLU A 3 19.697 3.814 8.177 1.00 55.12 O ATOM 44 OE2 GLU A 3 21.814 3.713 7.497 1.00 61.33 O ATOM 0 H GLU A 3 18.284 2.732 8.143 1.00 54.21 H new ATOM 0 HA GLU A 3 17.889 -0.071 7.770 1.00 42.30 H new ATOM 0 HB2 GLU A 3 20.334 -0.218 7.775 1.00 41.21 H new ATOM 0 HB3 GLU A 3 19.822 1.086 6.721 1.00 41.21 H new ATOM 0 HG2 GLU A 3 20.675 1.715 9.560 1.00 13.32 H new ATOM 0 HG3 GLU A 3 21.893 1.391 8.343 1.00 13.32 H new ATOM 51 N VAL A 4 17.805 0.919 10.637 1.00 45.41 N ATOM 52 CA VAL A 4 17.740 0.653 12.068 1.00 3.34 C ATOM 53 C VAL A 4 16.417 -0.009 12.349 1.00 22.20 C ATOM 54 O VAL A 4 16.336 -1.037 13.020 1.00 61.41 O ATOM 55 CB VAL A 4 17.745 1.900 12.949 1.00 10.41 C ATOM 56 CG1 VAL A 4 17.704 1.543 14.454 1.00 31.55 C ATOM 57 CG2 VAL A 4 18.917 2.824 12.623 1.00 21.33 C ATOM 0 H VAL A 4 17.271 1.743 10.360 1.00 45.41 H new ATOM 0 HA VAL A 4 18.623 0.058 12.300 1.00 3.34 H new ATOM 0 HB VAL A 4 16.831 2.449 12.723 1.00 10.41 H new ATOM 0 HG11 VAL A 4 17.709 2.459 15.045 1.00 31.55 H new ATOM 0 HG12 VAL A 4 16.798 0.977 14.669 1.00 31.55 H new ATOM 0 HG13 VAL A 4 18.577 0.942 14.709 1.00 31.55 H new ATOM 0 HG21 VAL A 4 18.882 3.699 13.273 1.00 21.33 H new ATOM 0 HG22 VAL A 4 19.855 2.292 12.781 1.00 21.33 H new ATOM 0 HG23 VAL A 4 18.851 3.142 11.583 1.00 21.33 H new ATOM 67 N MET A 5 15.329 0.639 11.866 1.00 53.04 N ATOM 68 CA MET A 5 14.009 0.490 12.428 1.00 43.35 C ATOM 69 C MET A 5 13.386 -0.883 12.224 1.00 21.03 C ATOM 70 O MET A 5 12.589 -1.348 13.035 1.00 23.04 O ATOM 71 CB MET A 5 13.071 1.625 11.917 1.00 44.04 C ATOM 72 CG MET A 5 12.760 1.672 10.402 1.00 13.34 C ATOM 73 SD MET A 5 11.392 0.613 9.836 1.00 61.34 S ATOM 74 CE MET A 5 11.644 0.989 8.078 1.00 72.35 C ATOM 0 H MET A 5 15.367 1.277 11.071 1.00 53.04 H new ATOM 0 HA MET A 5 14.131 0.580 13.507 1.00 43.35 H new ATOM 0 HB2 MET A 5 12.125 1.544 12.452 1.00 44.04 H new ATOM 0 HB3 MET A 5 13.515 2.580 12.198 1.00 44.04 H new ATOM 0 HG2 MET A 5 12.532 2.703 10.130 1.00 13.34 H new ATOM 0 HG3 MET A 5 13.661 1.390 9.857 1.00 13.34 H new ATOM 0 HE1 MET A 5 10.909 0.449 7.481 1.00 72.35 H new ATOM 0 HE2 MET A 5 11.527 2.060 7.915 1.00 72.35 H new ATOM 0 HE3 MET A 5 12.647 0.684 7.781 1.00 72.35 H new ATOM 84 N LYS A 6 13.772 -1.582 11.131 1.00 64.31 N ATOM 85 CA LYS A 6 13.140 -2.788 10.621 1.00 35.51 C ATOM 86 C LYS A 6 13.684 -4.081 11.166 1.00 2.52 C ATOM 87 O LYS A 6 13.411 -5.177 10.682 1.00 21.11 O ATOM 88 CB LYS A 6 13.166 -2.784 9.066 1.00 5.13 C ATOM 89 CG LYS A 6 14.555 -2.636 8.399 1.00 21.43 C ATOM 90 CD LYS A 6 15.427 -3.907 8.401 1.00 74.33 C ATOM 91 CE LYS A 6 16.645 -3.852 7.473 1.00 12.13 C ATOM 92 NZ LYS A 6 16.222 -3.865 6.058 1.00 20.33 N ATOM 0 H LYS A 6 14.571 -1.294 10.566 1.00 64.31 H new ATOM 0 HA LYS A 6 12.113 -2.754 10.984 1.00 35.51 H new ATOM 0 HB2 LYS A 6 12.716 -3.713 8.715 1.00 5.13 H new ATOM 0 HB3 LYS A 6 12.531 -1.970 8.716 1.00 5.13 H new ATOM 0 HG2 LYS A 6 14.412 -2.316 7.367 1.00 21.43 H new ATOM 0 HG3 LYS A 6 15.100 -1.841 8.907 1.00 21.43 H new ATOM 0 HD2 LYS A 6 15.771 -4.093 9.418 1.00 74.33 H new ATOM 0 HD3 LYS A 6 14.807 -4.756 8.114 1.00 74.33 H new ATOM 0 HE2 LYS A 6 17.224 -2.951 7.677 1.00 12.13 H new ATOM 0 HE3 LYS A 6 17.298 -4.702 7.671 1.00 12.13 H new ATOM 0 HZ1 LYS A 6 17.049 -4.032 5.450 1.00 20.33 H new ATOM 0 HZ2 LYS A 6 15.525 -4.623 5.911 1.00 20.33 H new ATOM 0 HZ3 LYS A 6 15.793 -2.949 5.815 1.00 20.33 H new ATOM 106 N GLN A 7 14.453 -3.931 12.242 1.00 52.40 N ATOM 107 CA GLN A 7 15.141 -4.973 12.987 1.00 34.51 C ATOM 108 C GLN A 7 14.197 -5.985 13.622 1.00 62.42 C ATOM 109 O GLN A 7 14.494 -7.177 13.670 1.00 22.34 O ATOM 110 CB GLN A 7 16.080 -4.357 14.065 1.00 75.00 C ATOM 111 CG GLN A 7 15.381 -3.542 15.181 1.00 25.04 C ATOM 112 CD GLN A 7 16.400 -2.925 16.144 1.00 52.50 C ATOM 113 OE1 GLN A 7 16.515 -3.335 17.301 1.00 24.21 O ATOM 114 NE2 GLN A 7 17.146 -1.902 15.654 1.00 3.23 N ATOM 0 H GLN A 7 14.621 -3.008 12.642 1.00 52.40 H new ATOM 0 HA GLN A 7 15.739 -5.520 12.258 1.00 34.51 H new ATOM 0 HB2 GLN A 7 16.646 -5.164 14.531 1.00 75.00 H new ATOM 0 HB3 GLN A 7 16.800 -3.709 13.565 1.00 75.00 H new ATOM 0 HG2 GLN A 7 14.777 -2.753 14.733 1.00 25.04 H new ATOM 0 HG3 GLN A 7 14.701 -4.189 15.734 1.00 25.04 H new ATOM 0 HE21 GLN A 7 17.019 -1.594 14.690 1.00 3.23 H new ATOM 0 HE22 GLN A 7 17.834 -1.441 16.250 1.00 3.23 H new ATOM 123 N MET A 8 13.018 -5.529 14.095 1.00 23.12 N ATOM 124 CA MET A 8 11.922 -6.380 14.498 1.00 33.31 C ATOM 125 C MET A 8 10.747 -5.905 13.677 1.00 65.41 C ATOM 126 O MET A 8 10.513 -4.702 13.565 1.00 21.24 O ATOM 127 CB MET A 8 11.598 -6.246 16.008 1.00 13.32 C ATOM 128 CG MET A 8 12.741 -6.737 16.921 1.00 62.22 C ATOM 129 SD MET A 8 12.421 -6.526 18.700 1.00 33.33 S ATOM 130 CE MET A 8 12.768 -4.743 18.763 1.00 63.13 C ATOM 0 H MET A 8 12.816 -4.535 14.203 1.00 23.12 H new ATOM 0 HA MET A 8 12.165 -7.430 14.337 1.00 33.31 H new ATOM 0 HB2 MET A 8 11.383 -5.202 16.236 1.00 13.32 H new ATOM 0 HB3 MET A 8 10.694 -6.813 16.231 1.00 13.32 H new ATOM 0 HG2 MET A 8 12.924 -7.792 16.719 1.00 62.22 H new ATOM 0 HG3 MET A 8 13.654 -6.200 16.662 1.00 62.22 H new ATOM 0 HE1 MET A 8 13.646 -4.565 19.384 1.00 63.13 H new ATOM 0 HE2 MET A 8 12.955 -4.373 17.755 1.00 63.13 H new ATOM 0 HE3 MET A 8 11.911 -4.220 19.188 1.00 63.13 H new ATOM 140 N THR A 9 9.991 -6.825 13.045 1.00 51.51 N ATOM 141 CA THR A 9 8.894 -6.437 12.179 1.00 11.31 C ATOM 142 C THR A 9 7.897 -7.571 12.162 1.00 73.03 C ATOM 143 O THR A 9 8.259 -8.708 12.458 1.00 54.31 O ATOM 144 CB THR A 9 9.344 -6.050 10.762 1.00 23.31 C ATOM 145 OG1 THR A 9 8.274 -5.500 10.000 1.00 14.51 O ATOM 146 CG2 THR A 9 9.946 -7.242 9.993 1.00 74.21 C ATOM 0 H THR A 9 10.130 -7.832 13.126 1.00 51.51 H new ATOM 0 HA THR A 9 8.435 -5.532 12.576 1.00 11.31 H new ATOM 0 HB THR A 9 10.118 -5.294 10.894 1.00 23.31 H new ATOM 0 HG1 THR A 9 8.597 -5.264 9.105 1.00 14.51 H new ATOM 0 HG21 THR A 9 10.249 -6.917 8.997 1.00 74.21 H new ATOM 0 HG22 THR A 9 10.815 -7.621 10.531 1.00 74.21 H new ATOM 0 HG23 THR A 9 9.201 -8.033 9.906 1.00 74.21 H new ATOM 154 N ILE A 10 6.624 -7.244 11.831 1.00 5.42 N ATOM 155 CA ILE A 10 5.498 -8.143 11.614 1.00 72.30 C ATOM 156 C ILE A 10 4.940 -8.760 12.891 1.00 33.00 C ATOM 157 O ILE A 10 5.523 -9.641 13.520 1.00 70.32 O ATOM 158 CB ILE A 10 5.771 -9.217 10.544 1.00 41.35 C ATOM 159 CG1 ILE A 10 6.098 -8.556 9.176 1.00 61.11 C ATOM 160 CG2 ILE A 10 4.593 -10.216 10.410 1.00 72.04 C ATOM 161 CD1 ILE A 10 6.605 -9.536 8.110 1.00 31.44 C ATOM 0 H ILE A 10 6.353 -6.269 11.703 1.00 5.42 H new ATOM 0 HA ILE A 10 4.716 -7.493 11.222 1.00 72.30 H new ATOM 0 HB ILE A 10 6.640 -9.789 10.869 1.00 41.35 H new ATOM 0 HG12 ILE A 10 5.203 -8.060 8.801 1.00 61.11 H new ATOM 0 HG13 ILE A 10 6.850 -7.782 9.329 1.00 61.11 H new ATOM 0 HG21 ILE A 10 4.828 -10.956 9.645 1.00 72.04 H new ATOM 0 HG22 ILE A 10 4.432 -10.719 11.364 1.00 72.04 H new ATOM 0 HG23 ILE A 10 3.689 -9.677 10.127 1.00 72.04 H new ATOM 0 HD11 ILE A 10 6.810 -8.995 7.186 1.00 31.44 H new ATOM 0 HD12 ILE A 10 7.520 -10.014 8.461 1.00 31.44 H new ATOM 0 HD13 ILE A 10 5.846 -10.296 7.924 1.00 31.44 H new ATOM 173 N ASN A 11 3.714 -8.336 13.269 1.00 13.52 N ATOM 174 CA ASN A 11 2.856 -9.084 14.155 1.00 73.44 C ATOM 175 C ASN A 11 1.476 -8.791 13.594 1.00 24.24 C ATOM 176 O ASN A 11 1.204 -7.640 13.260 1.00 14.43 O ATOM 177 CB ASN A 11 2.999 -8.631 15.637 1.00 72.12 C ATOM 178 CG ASN A 11 2.236 -9.565 16.578 1.00 23.43 C ATOM 179 OD1 ASN A 11 1.709 -10.601 16.165 1.00 74.12 O ATOM 180 ND2 ASN A 11 2.184 -9.195 17.884 1.00 42.40 N ATOM 0 H ASN A 11 3.308 -7.455 12.954 1.00 13.52 H new ATOM 0 HA ASN A 11 3.092 -10.148 14.188 1.00 73.44 H new ATOM 0 HB2 ASN A 11 4.053 -8.613 15.914 1.00 72.12 H new ATOM 0 HB3 ASN A 11 2.623 -7.614 15.747 1.00 72.12 H new ATOM 0 HD21 ASN A 11 1.697 -9.782 18.561 1.00 42.40 H new ATOM 0 HD22 ASN A 11 2.632 -8.331 18.187 1.00 42.40 H new ATOM 187 N PHE A 12 0.637 -9.840 13.389 1.00 45.13 N ATOM 188 CA PHE A 12 -0.711 -9.812 12.815 1.00 50.50 C ATOM 189 C PHE A 12 -0.899 -8.986 11.534 1.00 22.31 C ATOM 190 O PHE A 12 -1.963 -8.436 11.259 1.00 60.24 O ATOM 191 CB PHE A 12 -1.807 -9.492 13.898 1.00 73.50 C ATOM 192 CG PHE A 12 -1.647 -8.210 14.683 1.00 11.44 C ATOM 193 CD1 PHE A 12 -2.193 -7.006 14.211 1.00 64.31 C ATOM 194 CD2 PHE A 12 -1.021 -8.216 15.942 1.00 24.31 C ATOM 195 CE1 PHE A 12 -2.081 -5.824 14.954 1.00 63.03 C ATOM 196 CE2 PHE A 12 -0.910 -7.039 16.694 1.00 31.12 C ATOM 197 CZ PHE A 12 -1.436 -5.840 16.196 1.00 3.22 C ATOM 0 H PHE A 12 0.915 -10.788 13.642 1.00 45.13 H new ATOM 0 HA PHE A 12 -0.854 -10.835 12.467 1.00 50.50 H new ATOM 0 HB2 PHE A 12 -2.776 -9.465 13.400 1.00 73.50 H new ATOM 0 HB3 PHE A 12 -1.835 -10.321 14.606 1.00 73.50 H new ATOM 0 HD1 PHE A 12 -2.707 -6.991 13.261 1.00 64.31 H new ATOM 0 HD2 PHE A 12 -0.621 -9.139 16.334 1.00 24.31 H new ATOM 0 HE1 PHE A 12 -2.492 -4.902 14.569 1.00 63.03 H new ATOM 0 HE2 PHE A 12 -0.420 -7.056 17.656 1.00 31.12 H new ATOM 0 HZ PHE A 12 -1.344 -4.929 16.769 1.00 3.22 H new ATOM 207 N ALA A 13 0.149 -8.929 10.682 1.00 62.11 N ATOM 208 CA ALA A 13 0.228 -8.103 9.494 1.00 22.54 C ATOM 209 C ALA A 13 -0.678 -8.430 8.338 1.00 42.43 C ATOM 210 O ALA A 13 -1.147 -7.521 7.655 1.00 1.25 O ATOM 211 CB ALA A 13 1.669 -8.055 8.983 1.00 22.41 C ATOM 0 H ALA A 13 0.990 -9.488 10.825 1.00 62.11 H new ATOM 0 HA ALA A 13 -0.135 -7.140 9.854 1.00 22.54 H new ATOM 0 HB1 ALA A 13 1.718 -7.432 8.090 1.00 22.41 H new ATOM 0 HB2 ALA A 13 2.315 -7.635 9.754 1.00 22.41 H new ATOM 0 HB3 ALA A 13 2.003 -9.064 8.740 1.00 22.41 H new ATOM 217 N LYS A 14 -0.939 -9.722 8.049 1.00 40.54 N ATOM 218 CA LYS A 14 -1.704 -10.106 6.881 1.00 63.55 C ATOM 219 C LYS A 14 -3.139 -9.566 6.899 1.00 50.31 C ATOM 220 O LYS A 14 -3.534 -8.986 5.884 1.00 14.41 O ATOM 221 CB LYS A 14 -1.705 -11.648 6.691 1.00 62.21 C ATOM 222 CG LYS A 14 -0.302 -12.259 6.488 1.00 52.41 C ATOM 223 CD LYS A 14 0.496 -11.656 5.318 1.00 11.21 C ATOM 224 CE LYS A 14 1.829 -12.357 5.034 1.00 11.34 C ATOM 225 NZ LYS A 14 1.598 -13.709 4.488 1.00 4.42 N ATOM 0 H LYS A 14 -0.623 -10.506 8.620 1.00 40.54 H new ATOM 0 HA LYS A 14 -1.204 -9.646 6.028 1.00 63.55 H new ATOM 0 HB2 LYS A 14 -2.168 -12.110 7.563 1.00 62.21 H new ATOM 0 HB3 LYS A 14 -2.326 -11.897 5.830 1.00 62.21 H new ATOM 0 HG2 LYS A 14 0.272 -12.131 7.406 1.00 52.41 H new ATOM 0 HG3 LYS A 14 -0.407 -13.331 6.324 1.00 52.41 H new ATOM 0 HD2 LYS A 14 -0.118 -11.692 4.418 1.00 11.21 H new ATOM 0 HD3 LYS A 14 0.690 -10.605 5.530 1.00 11.21 H new ATOM 0 HE2 LYS A 14 2.413 -11.768 4.327 1.00 11.34 H new ATOM 0 HE3 LYS A 14 2.414 -12.424 5.951 1.00 11.34 H new ATOM 0 HZ1 LYS A 14 2.505 -14.123 4.191 1.00 4.42 H new ATOM 0 HZ2 LYS A 14 1.166 -14.309 5.219 1.00 4.42 H new ATOM 0 HZ3 LYS A 14 0.961 -13.648 3.669 1.00 4.42 H new ATOM 239 N PRO A 15 -3.954 -9.634 7.963 1.00 75.44 N ATOM 240 CA PRO A 15 -5.197 -8.878 8.023 1.00 12.42 C ATOM 241 C PRO A 15 -5.028 -7.376 8.153 1.00 2.10 C ATOM 242 O PRO A 15 -5.932 -6.665 7.718 1.00 65.22 O ATOM 243 CB PRO A 15 -5.933 -9.479 9.224 1.00 73.30 C ATOM 244 CG PRO A 15 -4.852 -10.054 10.135 1.00 12.25 C ATOM 245 CD PRO A 15 -3.729 -10.429 9.175 1.00 54.20 C ATOM 0 HA PRO A 15 -5.745 -8.967 7.085 1.00 12.42 H new ATOM 0 HB2 PRO A 15 -6.518 -8.720 9.743 1.00 73.30 H new ATOM 0 HB3 PRO A 15 -6.629 -10.255 8.906 1.00 73.30 H new ATOM 0 HG2 PRO A 15 -4.520 -9.323 10.873 1.00 12.25 H new ATOM 0 HG3 PRO A 15 -5.214 -10.922 10.686 1.00 12.25 H new ATOM 0 HD2 PRO A 15 -2.754 -10.210 9.610 1.00 54.20 H new ATOM 0 HD3 PRO A 15 -3.746 -11.496 8.951 1.00 54.20 H new ATOM 253 N MET A 16 -3.917 -6.839 8.716 1.00 41.54 N ATOM 254 CA MET A 16 -3.698 -5.396 8.732 1.00 14.33 C ATOM 255 C MET A 16 -3.499 -4.780 7.352 1.00 13.11 C ATOM 256 O MET A 16 -4.099 -3.754 7.026 1.00 0.23 O ATOM 257 CB MET A 16 -2.475 -5.018 9.601 1.00 62.42 C ATOM 258 CG MET A 16 -2.664 -5.146 11.118 1.00 74.25 C ATOM 259 SD MET A 16 -3.699 -3.840 11.846 1.00 74.05 S ATOM 260 CE MET A 16 -2.487 -2.487 11.752 1.00 33.54 C ATOM 0 H MET A 16 -3.176 -7.386 9.156 1.00 41.54 H new ATOM 0 HA MET A 16 -4.617 -4.990 9.155 1.00 14.33 H new ATOM 0 HB2 MET A 16 -1.635 -5.647 9.305 1.00 62.42 H new ATOM 0 HB3 MET A 16 -2.198 -3.988 9.375 1.00 62.42 H new ATOM 0 HG2 MET A 16 -3.112 -6.115 11.338 1.00 74.25 H new ATOM 0 HG3 MET A 16 -1.686 -5.131 11.598 1.00 74.25 H new ATOM 0 HE1 MET A 16 -2.787 -1.683 12.424 1.00 33.54 H new ATOM 0 HE2 MET A 16 -1.505 -2.857 12.045 1.00 33.54 H new ATOM 0 HE3 MET A 16 -2.442 -2.109 10.731 1.00 33.54 H new ATOM 270 N GLU A 17 -2.668 -5.412 6.486 1.00 14.02 N ATOM 271 CA GLU A 17 -2.402 -4.909 5.150 1.00 75.03 C ATOM 272 C GLU A 17 -3.588 -5.115 4.241 1.00 23.51 C ATOM 273 O GLU A 17 -3.865 -4.301 3.360 1.00 45.40 O ATOM 274 CB GLU A 17 -1.121 -5.525 4.513 1.00 54.53 C ATOM 275 CG GLU A 17 -1.149 -7.046 4.227 1.00 32.35 C ATOM 276 CD GLU A 17 0.171 -7.535 3.628 1.00 24.11 C ATOM 277 OE1 GLU A 17 0.487 -7.119 2.484 1.00 21.32 O ATOM 278 OE2 GLU A 17 0.862 -8.336 4.310 1.00 63.33 O ATOM 0 H GLU A 17 -2.175 -6.277 6.709 1.00 14.02 H new ATOM 0 HA GLU A 17 -2.223 -3.840 5.261 1.00 75.03 H new ATOM 0 HB2 GLU A 17 -0.924 -5.006 3.575 1.00 54.53 H new ATOM 0 HB3 GLU A 17 -0.279 -5.319 5.174 1.00 54.53 H new ATOM 0 HG2 GLU A 17 -1.351 -7.586 5.152 1.00 32.35 H new ATOM 0 HG3 GLU A 17 -1.965 -7.272 3.541 1.00 32.35 H new ATOM 285 N ALA A 18 -4.355 -6.207 4.467 1.00 1.31 N ATOM 286 CA ALA A 18 -5.633 -6.409 3.832 1.00 35.23 C ATOM 287 C ALA A 18 -6.649 -5.372 4.228 1.00 15.11 C ATOM 288 O ALA A 18 -7.300 -4.822 3.348 1.00 2.51 O ATOM 289 CB ALA A 18 -6.256 -7.765 4.159 1.00 60.42 C ATOM 0 H ALA A 18 -4.085 -6.961 5.099 1.00 1.31 H new ATOM 0 HA ALA A 18 -5.405 -6.341 2.768 1.00 35.23 H new ATOM 0 HB1 ALA A 18 -7.216 -7.856 3.651 1.00 60.42 H new ATOM 0 HB2 ALA A 18 -5.591 -8.561 3.824 1.00 60.42 H new ATOM 0 HB3 ALA A 18 -6.406 -7.847 5.236 1.00 60.42 H new ATOM 295 N CYS A 19 -6.786 -5.031 5.537 1.00 72.02 N ATOM 296 CA CYS A 19 -7.759 -4.043 5.978 1.00 12.43 C ATOM 297 C CYS A 19 -7.428 -2.718 5.312 1.00 21.21 C ATOM 298 O CYS A 19 -8.281 -2.119 4.676 1.00 1.43 O ATOM 299 CB CYS A 19 -7.754 -3.837 7.513 1.00 43.22 C ATOM 300 SG CYS A 19 -9.215 -3.004 7.982 1.00 10.11 S ATOM 0 H CYS A 19 -6.228 -5.435 6.290 1.00 72.02 H new ATOM 0 HA CYS A 19 -8.749 -4.406 5.700 1.00 12.43 H new ATOM 0 HB2 CYS A 19 -7.690 -4.799 8.021 1.00 43.22 H new ATOM 0 HB3 CYS A 19 -6.879 -3.260 7.812 1.00 43.22 H new ATOM 305 N LYS A 20 -6.150 -2.289 5.305 1.00 22.11 N ATOM 306 CA LYS A 20 -5.785 -0.956 4.855 1.00 60.13 C ATOM 307 C LYS A 20 -6.182 -0.699 3.400 1.00 61.15 C ATOM 308 O LYS A 20 -6.732 0.349 3.059 1.00 74.02 O ATOM 309 CB LYS A 20 -4.268 -0.761 5.096 1.00 60.10 C ATOM 310 CG LYS A 20 -3.713 0.652 4.835 1.00 60.43 C ATOM 311 CD LYS A 20 -3.222 0.934 3.409 1.00 43.23 C ATOM 312 CE LYS A 20 -1.868 0.303 3.083 1.00 34.12 C ATOM 313 NZ LYS A 20 -1.487 0.632 1.695 1.00 21.33 N ATOM 0 H LYS A 20 -5.360 -2.858 5.609 1.00 22.11 H new ATOM 0 HA LYS A 20 -6.341 -0.217 5.431 1.00 60.13 H new ATOM 0 HB2 LYS A 20 -4.048 -1.030 6.129 1.00 60.10 H new ATOM 0 HB3 LYS A 20 -3.727 -1.464 4.462 1.00 60.10 H new ATOM 0 HG2 LYS A 20 -4.490 1.376 5.079 1.00 60.43 H new ATOM 0 HG3 LYS A 20 -2.886 0.828 5.523 1.00 60.43 H new ATOM 0 HD2 LYS A 20 -3.964 0.565 2.700 1.00 43.23 H new ATOM 0 HD3 LYS A 20 -3.153 2.012 3.266 1.00 43.23 H new ATOM 0 HE2 LYS A 20 -1.109 0.669 3.775 1.00 34.12 H new ATOM 0 HE3 LYS A 20 -1.920 -0.778 3.209 1.00 34.12 H new ATOM 0 HZ1 LYS A 20 -0.566 0.201 1.477 1.00 21.33 H new ATOM 0 HZ2 LYS A 20 -2.206 0.262 1.041 1.00 21.33 H new ATOM 0 HZ3 LYS A 20 -1.420 1.664 1.589 1.00 21.33 H new ATOM 327 N GLN A 21 -5.966 -1.690 2.506 1.00 22.22 N ATOM 328 CA GLN A 21 -6.390 -1.577 1.121 1.00 12.25 C ATOM 329 C GLN A 21 -7.877 -1.795 0.911 1.00 33.33 C ATOM 330 O GLN A 21 -8.509 -1.097 0.121 1.00 22.35 O ATOM 331 CB GLN A 21 -5.631 -2.554 0.210 1.00 12.32 C ATOM 332 CG GLN A 21 -5.920 -4.036 0.497 1.00 30.44 C ATOM 333 CD GLN A 21 -4.910 -4.982 -0.125 1.00 10.25 C ATOM 334 OE1 GLN A 21 -4.981 -5.381 -1.288 1.00 22.23 O ATOM 335 NE2 GLN A 21 -3.970 -5.422 0.748 1.00 2.45 N ATOM 0 H GLN A 21 -5.501 -2.569 2.733 1.00 22.22 H new ATOM 0 HA GLN A 21 -6.157 -0.546 0.854 1.00 12.25 H new ATOM 0 HB2 GLN A 21 -5.887 -2.340 -0.828 1.00 12.32 H new ATOM 0 HB3 GLN A 21 -4.561 -2.377 0.317 1.00 12.32 H new ATOM 0 HG2 GLN A 21 -5.936 -4.192 1.576 1.00 30.44 H new ATOM 0 HG3 GLN A 21 -6.914 -4.283 0.124 1.00 30.44 H new ATOM 0 HE21 GLN A 21 -3.951 -5.062 1.702 1.00 2.45 H new ATOM 0 HE22 GLN A 21 -3.282 -6.113 0.451 1.00 2.45 H new ATOM 344 N GLU A 22 -8.467 -2.751 1.668 1.00 42.34 N ATOM 345 CA GLU A 22 -9.877 -3.139 1.660 1.00 0.24 C ATOM 346 C GLU A 22 -10.743 -1.965 1.998 1.00 32.15 C ATOM 347 O GLU A 22 -11.812 -1.758 1.428 1.00 54.22 O ATOM 348 CB GLU A 22 -10.166 -4.284 2.646 1.00 1.53 C ATOM 349 CG GLU A 22 -11.613 -4.825 2.576 1.00 74.22 C ATOM 350 CD GLU A 22 -11.966 -5.493 1.244 1.00 75.32 C ATOM 351 OE1 GLU A 22 -12.970 -5.071 0.616 1.00 73.31 O ATOM 352 OE2 GLU A 22 -11.246 -6.455 0.867 1.00 11.13 O ATOM 0 H GLU A 22 -7.928 -3.299 2.338 1.00 42.34 H new ATOM 0 HA GLU A 22 -10.105 -3.491 0.654 1.00 0.24 H new ATOM 0 HB2 GLU A 22 -9.473 -5.102 2.449 1.00 1.53 H new ATOM 0 HB3 GLU A 22 -9.968 -3.935 3.660 1.00 1.53 H new ATOM 0 HG2 GLU A 22 -11.760 -5.545 3.381 1.00 74.22 H new ATOM 0 HG3 GLU A 22 -12.306 -4.003 2.753 1.00 74.22 H new ATOM 359 N LEU A 23 -10.267 -1.158 2.956 1.00 20.12 N ATOM 360 CA LEU A 23 -11.036 -0.035 3.448 1.00 21.01 C ATOM 361 C LEU A 23 -10.795 1.182 2.572 1.00 2.44 C ATOM 362 O LEU A 23 -11.501 2.181 2.693 1.00 54.23 O ATOM 363 CB LEU A 23 -10.654 0.348 4.891 1.00 61.02 C ATOM 364 CG LEU A 23 -10.797 -0.784 5.928 1.00 31.44 C ATOM 365 CD1 LEU A 23 -10.784 -0.353 7.398 1.00 42.11 C ATOM 366 CD2 LEU A 23 -11.650 -2.024 5.629 1.00 30.14 C ATOM 0 H LEU A 23 -9.354 -1.271 3.397 1.00 20.12 H new ATOM 0 HA LEU A 23 -12.082 -0.340 3.426 1.00 21.01 H new ATOM 0 HB2 LEU A 23 -9.621 0.696 4.897 1.00 61.02 H new ATOM 0 HB3 LEU A 23 -11.275 1.187 5.204 1.00 61.02 H new ATOM 0 HG LEU A 23 -9.822 -1.229 5.730 1.00 31.44 H new ATOM 0 HD11 LEU A 23 -10.891 -1.231 8.035 1.00 42.11 H new ATOM 0 HD12 LEU A 23 -9.841 0.146 7.623 1.00 42.11 H new ATOM 0 HD13 LEU A 23 -11.610 0.333 7.583 1.00 42.11 H new ATOM 0 HD21 LEU A 23 -11.621 -2.700 6.484 1.00 30.14 H new ATOM 0 HD22 LEU A 23 -12.680 -1.720 5.441 1.00 30.14 H new ATOM 0 HD23 LEU A 23 -11.256 -2.534 4.750 1.00 30.14 H new ATOM 378 N ASN A 24 -9.780 1.102 1.672 1.00 51.41 N ATOM 379 CA ASN A 24 -9.301 2.171 0.809 1.00 23.00 C ATOM 380 C ASN A 24 -8.838 3.400 1.591 1.00 54.21 C ATOM 381 O ASN A 24 -9.175 4.543 1.287 1.00 43.41 O ATOM 382 CB ASN A 24 -10.396 2.504 -0.250 1.00 54.04 C ATOM 383 CG ASN A 24 -9.899 3.315 -1.449 1.00 3.34 C ATOM 384 OD1 ASN A 24 -10.457 4.353 -1.808 1.00 40.31 O ATOM 385 ND2 ASN A 24 -8.839 2.798 -2.126 1.00 21.41 N ATOM 0 H ASN A 24 -9.258 0.236 1.535 1.00 51.41 H new ATOM 0 HA ASN A 24 -8.409 1.824 0.288 1.00 23.00 H new ATOM 0 HB2 ASN A 24 -10.827 1.571 -0.613 1.00 54.04 H new ATOM 0 HB3 ASN A 24 -11.198 3.057 0.238 1.00 54.04 H new ATOM 0 HD21 ASN A 24 -8.484 3.272 -2.957 1.00 21.41 H new ATOM 0 HD22 ASN A 24 -8.399 1.936 -1.803 1.00 21.41 H new ATOM 392 N VAL A 25 -8.029 3.160 2.640 1.00 60.04 N ATOM 393 CA VAL A 25 -7.554 4.165 3.574 1.00 54.01 C ATOM 394 C VAL A 25 -6.047 4.223 3.479 1.00 21.22 C ATOM 395 O VAL A 25 -5.428 3.291 2.964 1.00 74.10 O ATOM 396 CB VAL A 25 -7.993 3.897 5.016 1.00 51.41 C ATOM 397 CG1 VAL A 25 -9.528 3.988 5.101 1.00 33.44 C ATOM 398 CG2 VAL A 25 -7.476 2.527 5.500 1.00 61.32 C ATOM 0 H VAL A 25 -7.684 2.225 2.857 1.00 60.04 H new ATOM 0 HA VAL A 25 -7.997 5.123 3.302 1.00 54.01 H new ATOM 0 HB VAL A 25 -7.562 4.650 5.675 1.00 51.41 H new ATOM 0 HG11 VAL A 25 -9.848 3.798 6.126 1.00 33.44 H new ATOM 0 HG12 VAL A 25 -9.851 4.984 4.799 1.00 33.44 H new ATOM 0 HG13 VAL A 25 -9.974 3.246 4.439 1.00 33.44 H new ATOM 0 HG21 VAL A 25 -7.800 2.358 6.527 1.00 61.32 H new ATOM 0 HG22 VAL A 25 -7.875 1.741 4.859 1.00 61.32 H new ATOM 0 HG23 VAL A 25 -6.387 2.513 5.456 1.00 61.32 H new ATOM 408 N PRO A 26 -5.388 5.286 3.914 1.00 71.41 N ATOM 409 CA PRO A 26 -3.944 5.328 3.961 1.00 53.52 C ATOM 410 C PRO A 26 -3.346 4.507 5.074 1.00 3.21 C ATOM 411 O PRO A 26 -4.004 4.016 5.991 1.00 13.34 O ATOM 412 CB PRO A 26 -3.603 6.810 4.184 1.00 63.55 C ATOM 413 CG PRO A 26 -4.816 7.333 4.953 1.00 64.14 C ATOM 414 CD PRO A 26 -5.978 6.563 4.323 1.00 1.22 C ATOM 0 HA PRO A 26 -3.534 4.907 3.043 1.00 53.52 H new ATOM 0 HB2 PRO A 26 -2.682 6.930 4.754 1.00 63.55 H new ATOM 0 HB3 PRO A 26 -3.465 7.338 3.241 1.00 63.55 H new ATOM 0 HG2 PRO A 26 -4.733 7.135 6.022 1.00 64.14 H new ATOM 0 HG3 PRO A 26 -4.935 8.410 4.836 1.00 64.14 H new ATOM 0 HD2 PRO A 26 -6.790 6.416 5.035 1.00 1.22 H new ATOM 0 HD3 PRO A 26 -6.395 7.100 3.471 1.00 1.22 H new ATOM 422 N ASP A 27 -2.014 4.469 4.996 1.00 23.23 N ATOM 423 CA ASP A 27 -1.059 3.942 5.924 1.00 61.32 C ATOM 424 C ASP A 27 -1.149 4.594 7.286 1.00 4.21 C ATOM 425 O ASP A 27 -1.075 3.955 8.333 1.00 44.23 O ATOM 426 CB ASP A 27 0.350 4.156 5.304 1.00 22.44 C ATOM 427 CG ASP A 27 0.693 5.581 4.844 1.00 33.04 C ATOM 428 OD1 ASP A 27 1.601 6.201 5.449 1.00 42.20 O ATOM 429 OD2 ASP A 27 0.014 6.057 3.896 1.00 31.22 O ATOM 0 H ASP A 27 -1.543 4.857 4.179 1.00 23.23 H new ATOM 0 HA ASP A 27 -1.263 2.884 6.090 1.00 61.32 H new ATOM 0 HB2 ASP A 27 1.095 3.847 6.037 1.00 22.44 H new ATOM 0 HB3 ASP A 27 0.450 3.489 4.448 1.00 22.44 H new ATOM 434 N ALA A 28 -1.360 5.913 7.236 1.00 1.23 N ATOM 435 CA ALA A 28 -1.478 6.842 8.326 1.00 23.20 C ATOM 436 C ALA A 28 -2.566 6.483 9.314 1.00 3.55 C ATOM 437 O ALA A 28 -2.452 6.771 10.504 1.00 35.33 O ATOM 438 CB ALA A 28 -1.752 8.232 7.742 1.00 5.34 C ATOM 0 H ALA A 28 -1.460 6.386 6.338 1.00 1.23 H new ATOM 0 HA ALA A 28 -0.542 6.815 8.884 1.00 23.20 H new ATOM 0 HB1 ALA A 28 -1.846 8.955 8.552 1.00 5.34 H new ATOM 0 HB2 ALA A 28 -0.928 8.522 7.090 1.00 5.34 H new ATOM 0 HB3 ALA A 28 -2.678 8.209 7.167 1.00 5.34 H new ATOM 444 N VAL A 29 -3.662 5.844 8.860 1.00 23.44 N ATOM 445 CA VAL A 29 -4.761 5.608 9.770 1.00 1.31 C ATOM 446 C VAL A 29 -4.781 4.180 10.282 1.00 32.41 C ATOM 447 O VAL A 29 -5.241 3.937 11.393 1.00 52.15 O ATOM 448 CB VAL A 29 -6.090 5.977 9.169 1.00 73.42 C ATOM 449 CG1 VAL A 29 -6.051 7.389 8.536 1.00 21.21 C ATOM 450 CG2 VAL A 29 -6.696 4.887 8.283 1.00 52.30 C ATOM 0 H VAL A 29 -3.794 5.501 7.908 1.00 23.44 H new ATOM 0 HA VAL A 29 -4.592 6.265 10.623 1.00 1.31 H new ATOM 0 HB VAL A 29 -6.804 6.041 9.990 1.00 73.42 H new ATOM 0 HG11 VAL A 29 -7.027 7.624 8.111 1.00 21.21 H new ATOM 0 HG12 VAL A 29 -5.802 8.124 9.301 1.00 21.21 H new ATOM 0 HG13 VAL A 29 -5.297 7.414 7.749 1.00 21.21 H new ATOM 0 HG21 VAL A 29 -7.652 5.229 7.888 1.00 52.30 H new ATOM 0 HG22 VAL A 29 -6.018 4.671 7.457 1.00 52.30 H new ATOM 0 HG23 VAL A 29 -6.850 3.983 8.872 1.00 52.30 H new ATOM 460 N MET A 30 -4.230 3.185 9.540 1.00 53.24 N ATOM 461 CA MET A 30 -4.002 1.867 10.128 1.00 44.31 C ATOM 462 C MET A 30 -2.954 1.909 11.222 1.00 20.25 C ATOM 463 O MET A 30 -3.041 1.180 12.209 1.00 73.02 O ATOM 464 CB MET A 30 -3.628 0.747 9.112 1.00 63.33 C ATOM 465 CG MET A 30 -2.305 0.913 8.339 1.00 45.41 C ATOM 466 SD MET A 30 -1.653 -0.657 7.686 1.00 34.33 S ATOM 467 CE MET A 30 -0.153 0.065 6.963 1.00 40.33 C ATOM 0 H MET A 30 -3.947 3.278 8.564 1.00 53.24 H new ATOM 0 HA MET A 30 -4.974 1.603 10.545 1.00 44.31 H new ATOM 0 HB2 MET A 30 -3.588 -0.199 9.651 1.00 63.33 H new ATOM 0 HB3 MET A 30 -4.436 0.666 8.385 1.00 63.33 H new ATOM 0 HG2 MET A 30 -2.459 1.607 7.512 1.00 45.41 H new ATOM 0 HG3 MET A 30 -1.561 1.362 8.997 1.00 45.41 H new ATOM 0 HE1 MET A 30 -0.152 -0.102 5.886 1.00 40.33 H new ATOM 0 HE2 MET A 30 -0.131 1.136 7.164 1.00 40.33 H new ATOM 0 HE3 MET A 30 0.726 -0.405 7.404 1.00 40.33 H new ATOM 477 N GLN A 31 -1.957 2.819 11.105 1.00 73.53 N ATOM 478 CA GLN A 31 -0.930 2.974 12.108 1.00 13.41 C ATOM 479 C GLN A 31 -1.416 3.635 13.375 1.00 24.13 C ATOM 480 O GLN A 31 -0.854 3.463 14.454 1.00 21.25 O ATOM 481 CB GLN A 31 0.356 3.627 11.526 1.00 24.14 C ATOM 482 CG GLN A 31 0.348 5.081 11.033 1.00 32.14 C ATOM 483 CD GLN A 31 0.588 6.085 12.151 1.00 45.11 C ATOM 484 OE1 GLN A 31 1.689 6.211 12.689 1.00 11.44 O ATOM 485 NE2 GLN A 31 -0.500 6.809 12.505 1.00 75.54 N ATOM 0 H GLN A 31 -1.861 3.452 10.311 1.00 73.53 H new ATOM 0 HA GLN A 31 -0.653 1.966 12.416 1.00 13.41 H new ATOM 0 HB2 GLN A 31 1.127 3.554 12.293 1.00 24.14 H new ATOM 0 HB3 GLN A 31 0.679 3.007 10.689 1.00 24.14 H new ATOM 0 HG2 GLN A 31 1.115 5.205 10.269 1.00 32.14 H new ATOM 0 HG3 GLN A 31 -0.610 5.294 10.559 1.00 32.14 H new ATOM 0 HE21 GLN A 31 -1.388 6.663 12.025 1.00 75.54 H new ATOM 0 HE22 GLN A 31 -0.432 7.500 13.252 1.00 75.54 H new ATOM 494 N ASP A 32 -2.558 4.345 13.282 1.00 42.43 N ATOM 495 CA ASP A 32 -3.253 4.892 14.429 1.00 15.54 C ATOM 496 C ASP A 32 -3.738 3.824 15.397 1.00 63.01 C ATOM 497 O ASP A 32 -3.667 4.010 16.607 1.00 23.00 O ATOM 498 CB ASP A 32 -4.476 5.747 14.013 1.00 44.44 C ATOM 499 CG ASP A 32 -4.161 7.116 13.427 1.00 54.20 C ATOM 500 OD1 ASP A 32 -3.044 7.638 13.662 1.00 54.55 O ATOM 501 OD2 ASP A 32 -5.090 7.676 12.781 1.00 52.21 O ATOM 0 H ASP A 32 -3.015 4.548 12.393 1.00 42.43 H new ATOM 0 HA ASP A 32 -2.511 5.515 14.929 1.00 15.54 H new ATOM 0 HB2 ASP A 32 -5.056 5.185 13.281 1.00 44.44 H new ATOM 0 HB3 ASP A 32 -5.113 5.885 14.887 1.00 44.44 H new ATOM 506 N PHE A 33 -4.232 2.679 14.883 1.00 54.35 N ATOM 507 CA PHE A 33 -4.645 1.552 15.707 1.00 31.45 C ATOM 508 C PHE A 33 -3.536 0.966 16.550 1.00 25.11 C ATOM 509 O PHE A 33 -3.742 0.672 17.721 1.00 72.22 O ATOM 510 CB PHE A 33 -5.352 0.490 14.820 1.00 32.32 C ATOM 511 CG PHE A 33 -5.581 -0.876 15.432 1.00 62.30 C ATOM 512 CD1 PHE A 33 -5.070 -1.999 14.759 1.00 12.21 C ATOM 513 CD2 PHE A 33 -6.176 -1.064 16.689 1.00 32.43 C ATOM 514 CE1 PHE A 33 -5.187 -3.283 15.302 1.00 13.53 C ATOM 515 CE2 PHE A 33 -6.339 -2.354 17.214 1.00 31.01 C ATOM 516 CZ PHE A 33 -5.840 -3.464 16.525 1.00 52.43 C ATOM 0 H PHE A 33 -4.351 2.521 13.882 1.00 54.35 H new ATOM 0 HA PHE A 33 -5.358 1.929 16.441 1.00 31.45 H new ATOM 0 HB2 PHE A 33 -6.319 0.892 14.517 1.00 32.32 H new ATOM 0 HB3 PHE A 33 -4.762 0.360 13.913 1.00 32.32 H new ATOM 0 HD1 PHE A 33 -4.579 -1.869 13.806 1.00 12.21 H new ATOM 0 HD2 PHE A 33 -6.511 -0.208 17.257 1.00 32.43 H new ATOM 0 HE1 PHE A 33 -4.774 -4.132 14.778 1.00 13.53 H new ATOM 0 HE2 PHE A 33 -6.852 -2.491 18.154 1.00 31.01 H new ATOM 0 HZ PHE A 33 -5.958 -4.456 16.935 1.00 52.43 H new ATOM 526 N PHE A 34 -2.326 0.767 16.012 1.00 74.40 N ATOM 527 CA PHE A 34 -1.265 0.276 16.868 1.00 21.33 C ATOM 528 C PHE A 34 -0.716 1.271 17.869 1.00 4.55 C ATOM 529 O PHE A 34 -0.412 0.933 19.013 1.00 63.53 O ATOM 530 CB PHE A 34 -0.129 -0.355 16.057 1.00 21.51 C ATOM 531 CG PHE A 34 0.775 0.458 15.189 1.00 33.11 C ATOM 532 CD1 PHE A 34 1.955 0.969 15.747 1.00 23.44 C ATOM 533 CD2 PHE A 34 0.601 0.481 13.799 1.00 33.34 C ATOM 534 CE1 PHE A 34 2.974 1.465 14.927 1.00 54.52 C ATOM 535 CE2 PHE A 34 1.649 0.916 12.972 1.00 5.24 C ATOM 536 CZ PHE A 34 2.830 1.418 13.535 1.00 30.24 C ATOM 0 H PHE A 34 -2.074 0.931 15.037 1.00 74.40 H new ATOM 0 HA PHE A 34 -1.753 -0.490 17.471 1.00 21.33 H new ATOM 0 HB2 PHE A 34 0.508 -0.881 16.767 1.00 21.51 H new ATOM 0 HB3 PHE A 34 -0.583 -1.110 15.416 1.00 21.51 H new ATOM 0 HD1 PHE A 34 2.079 0.980 16.820 1.00 23.44 H new ATOM 0 HD2 PHE A 34 -0.336 0.165 13.365 1.00 33.34 H new ATOM 0 HE1 PHE A 34 3.868 1.883 15.366 1.00 54.52 H new ATOM 0 HE2 PHE A 34 1.545 0.864 11.898 1.00 5.24 H new ATOM 0 HZ PHE A 34 3.628 1.768 12.896 1.00 30.24 H new ATOM 546 N ASN A 35 -0.651 2.547 17.458 1.00 64.11 N ATOM 547 CA ASN A 35 -0.252 3.678 18.270 1.00 50.42 C ATOM 548 C ASN A 35 -1.206 3.967 19.419 1.00 71.40 C ATOM 549 O ASN A 35 -0.806 4.510 20.444 1.00 51.43 O ATOM 550 CB ASN A 35 -0.112 4.929 17.390 1.00 25.53 C ATOM 551 CG ASN A 35 1.150 4.864 16.529 1.00 24.34 C ATOM 552 OD1 ASN A 35 2.130 4.183 16.834 1.00 25.23 O ATOM 553 ND2 ASN A 35 1.121 5.650 15.424 1.00 42.45 N ATOM 0 H ASN A 35 -0.889 2.817 16.504 1.00 64.11 H new ATOM 0 HA ASN A 35 0.707 3.414 18.717 1.00 50.42 H new ATOM 0 HB2 ASN A 35 -0.988 5.025 16.748 1.00 25.53 H new ATOM 0 HB3 ASN A 35 -0.080 5.818 18.020 1.00 25.53 H new ATOM 0 HD21 ASN A 35 1.932 5.693 14.808 1.00 42.45 H new ATOM 0 HD22 ASN A 35 0.288 6.198 15.209 1.00 42.45 H new ATOM 560 N PHE A 36 -2.482 3.552 19.283 1.00 65.53 N ATOM 561 CA PHE A 36 -3.579 3.673 20.230 1.00 44.31 C ATOM 562 C PHE A 36 -3.230 3.062 21.570 1.00 43.32 C ATOM 563 O PHE A 36 -3.595 3.574 22.625 1.00 1.14 O ATOM 564 CB PHE A 36 -4.820 2.968 19.609 1.00 34.03 C ATOM 565 CG PHE A 36 -6.074 2.992 20.426 1.00 35.51 C ATOM 566 CD1 PHE A 36 -6.355 1.947 21.321 1.00 32.32 C ATOM 567 CD2 PHE A 36 -7.010 4.018 20.260 1.00 62.12 C ATOM 568 CE1 PHE A 36 -7.554 1.931 22.038 1.00 2.21 C ATOM 569 CE2 PHE A 36 -8.198 4.024 20.993 1.00 42.43 C ATOM 570 CZ PHE A 36 -8.470 2.969 21.867 1.00 71.22 C ATOM 0 H PHE A 36 -2.784 3.084 18.428 1.00 65.53 H new ATOM 0 HA PHE A 36 -3.789 4.726 20.415 1.00 44.31 H new ATOM 0 HB2 PHE A 36 -5.031 3.432 18.645 1.00 34.03 H new ATOM 0 HB3 PHE A 36 -4.560 1.928 19.412 1.00 34.03 H new ATOM 0 HD1 PHE A 36 -5.639 1.150 21.456 1.00 32.32 H new ATOM 0 HD2 PHE A 36 -6.812 4.814 19.557 1.00 62.12 H new ATOM 0 HE1 PHE A 36 -7.770 1.121 22.719 1.00 2.21 H new ATOM 0 HE2 PHE A 36 -8.901 4.837 20.885 1.00 42.43 H new ATOM 0 HZ PHE A 36 -9.400 2.957 22.416 1.00 71.22 H new ATOM 580 N TRP A 37 -2.524 1.916 21.541 1.00 0.31 N ATOM 581 CA TRP A 37 -2.219 1.134 22.714 1.00 51.14 C ATOM 582 C TRP A 37 -1.063 1.735 23.483 1.00 4.02 C ATOM 583 O TRP A 37 -0.808 1.350 24.624 1.00 73.44 O ATOM 584 CB TRP A 37 -1.876 -0.319 22.330 1.00 60.25 C ATOM 585 CG TRP A 37 -3.004 -0.991 21.572 1.00 35.14 C ATOM 586 CD1 TRP A 37 -2.983 -1.352 20.257 1.00 43.12 C ATOM 587 CD2 TRP A 37 -4.361 -1.177 22.024 1.00 4.10 C ATOM 588 NE1 TRP A 37 -4.220 -1.803 19.861 1.00 44.45 N ATOM 589 CE2 TRP A 37 -5.086 -1.684 20.925 1.00 22.35 C ATOM 590 CE3 TRP A 37 -4.987 -0.936 23.249 1.00 61.23 C ATOM 591 CZ2 TRP A 37 -6.443 -1.944 21.032 1.00 44.23 C ATOM 592 CZ3 TRP A 37 -6.368 -1.174 23.340 1.00 12.22 C ATOM 593 CH2 TRP A 37 -7.092 -1.650 22.237 1.00 24.22 C ATOM 0 H TRP A 37 -2.152 1.517 20.679 1.00 0.31 H new ATOM 0 HA TRP A 37 -3.106 1.138 23.348 1.00 51.14 H new ATOM 0 HB2 TRP A 37 -0.973 -0.328 21.719 1.00 60.25 H new ATOM 0 HB3 TRP A 37 -1.656 -0.890 23.232 1.00 60.25 H new ATOM 0 HD1 TRP A 37 -2.116 -1.292 19.616 1.00 43.12 H new ATOM 0 HE1 TRP A 37 -4.456 -2.164 18.937 1.00 44.45 H new ATOM 0 HE3 TRP A 37 -4.426 -0.578 24.100 1.00 61.23 H new ATOM 0 HZ2 TRP A 37 -6.990 -2.366 20.201 1.00 44.23 H new ATOM 0 HZ3 TRP A 37 -6.880 -0.988 24.273 1.00 12.22 H new ATOM 0 HH2 TRP A 37 -8.160 -1.791 22.318 1.00 24.22 H new ATOM 604 N LYS A 38 -0.334 2.719 22.891 1.00 41.41 N ATOM 605 CA LYS A 38 0.614 3.497 23.664 1.00 44.20 C ATOM 606 C LYS A 38 -0.142 4.367 24.662 1.00 30.22 C ATOM 607 O LYS A 38 -1.038 5.133 24.306 1.00 2.34 O ATOM 608 CB LYS A 38 1.471 4.440 22.798 1.00 61.43 C ATOM 609 CG LYS A 38 2.649 5.051 23.580 1.00 30.42 C ATOM 610 CD LYS A 38 2.796 6.569 23.423 1.00 73.54 C ATOM 611 CE LYS A 38 3.255 7.006 22.033 1.00 13.33 C ATOM 612 NZ LYS A 38 3.594 8.442 22.052 1.00 12.44 N ATOM 0 H LYS A 38 -0.396 2.972 21.905 1.00 41.41 H new ATOM 0 HA LYS A 38 1.273 2.780 24.153 1.00 44.20 H new ATOM 0 HB2 LYS A 38 1.856 3.890 21.939 1.00 61.43 H new ATOM 0 HB3 LYS A 38 0.843 5.241 22.408 1.00 61.43 H new ATOM 0 HG2 LYS A 38 2.527 4.818 24.638 1.00 30.42 H new ATOM 0 HG3 LYS A 38 3.573 4.573 23.253 1.00 30.42 H new ATOM 0 HD2 LYS A 38 1.839 7.042 23.644 1.00 73.54 H new ATOM 0 HD3 LYS A 38 3.510 6.933 24.162 1.00 73.54 H new ATOM 0 HE2 LYS A 38 4.122 6.421 21.725 1.00 13.33 H new ATOM 0 HE3 LYS A 38 2.468 6.818 21.303 1.00 13.33 H new ATOM 0 HZ1 LYS A 38 4.373 8.624 21.387 1.00 12.44 H new ATOM 0 HZ2 LYS A 38 2.762 8.999 21.771 1.00 12.44 H new ATOM 0 HZ3 LYS A 38 3.887 8.717 23.011 1.00 12.44 H new ATOM 626 N GLU A 39 0.193 4.261 25.962 1.00 33.14 N ATOM 627 CA GLU A 39 -0.653 4.839 26.987 1.00 43.15 C ATOM 628 C GLU A 39 -0.659 6.357 27.009 1.00 3.43 C ATOM 629 O GLU A 39 0.375 7.021 27.063 1.00 21.44 O ATOM 630 CB GLU A 39 -0.302 4.282 28.396 1.00 0.21 C ATOM 631 CG GLU A 39 -0.670 2.784 28.601 1.00 23.03 C ATOM 632 CD GLU A 39 -2.171 2.532 28.794 1.00 13.12 C ATOM 633 OE1 GLU A 39 -2.973 2.866 27.884 1.00 75.32 O ATOM 634 OE2 GLU A 39 -2.531 2.004 29.884 1.00 74.42 O ATOM 0 H GLU A 39 1.028 3.788 26.308 1.00 33.14 H new ATOM 0 HA GLU A 39 -1.665 4.534 26.719 1.00 43.15 H new ATOM 0 HB2 GLU A 39 0.767 4.409 28.568 1.00 0.21 H new ATOM 0 HB3 GLU A 39 -0.819 4.878 29.149 1.00 0.21 H new ATOM 0 HG2 GLU A 39 -0.324 2.214 27.739 1.00 23.03 H new ATOM 0 HG3 GLU A 39 -0.133 2.404 29.470 1.00 23.03 H new ATOM 641 N GLY A 40 -1.886 6.925 26.956 1.00 51.12 N ATOM 642 CA GLY A 40 -2.136 8.354 26.934 1.00 42.14 C ATOM 643 C GLY A 40 -2.227 8.936 25.549 1.00 74.14 C ATOM 644 O GLY A 40 -2.647 10.081 25.403 1.00 53.44 O ATOM 0 H GLY A 40 -2.742 6.372 26.927 1.00 51.12 H new ATOM 0 HA2 GLY A 40 -3.066 8.558 27.465 1.00 42.14 H new ATOM 0 HA3 GLY A 40 -1.339 8.861 27.479 1.00 42.14 H new ATOM 648 N TYR A 41 -1.818 8.195 24.489 1.00 54.32 N ATOM 649 CA TYR A 41 -1.681 8.733 23.153 1.00 22.41 C ATOM 650 C TYR A 41 -3.019 9.106 22.512 1.00 42.13 C ATOM 651 O TYR A 41 -4.013 8.384 22.590 1.00 70.51 O ATOM 652 CB TYR A 41 -0.884 7.749 22.261 1.00 11.12 C ATOM 653 CG TYR A 41 -0.421 8.383 20.981 1.00 13.20 C ATOM 654 CD1 TYR A 41 -0.742 7.852 19.726 1.00 40.10 C ATOM 655 CD2 TYR A 41 0.372 9.538 21.056 1.00 73.52 C ATOM 656 CE1 TYR A 41 -0.302 8.489 18.554 1.00 73.52 C ATOM 657 CE2 TYR A 41 0.816 10.175 19.890 1.00 11.45 C ATOM 658 CZ TYR A 41 0.474 9.652 18.637 1.00 55.21 C ATOM 659 OH TYR A 41 0.927 10.295 17.467 1.00 22.30 O ATOM 0 H TYR A 41 -1.578 7.206 24.559 1.00 54.32 H new ATOM 0 HA TYR A 41 -1.125 9.666 23.240 1.00 22.41 H new ATOM 0 HB2 TYR A 41 -0.020 7.380 22.814 1.00 11.12 H new ATOM 0 HB3 TYR A 41 -1.508 6.885 22.031 1.00 11.12 H new ATOM 0 HD1 TYR A 41 -1.330 6.949 19.659 1.00 40.10 H new ATOM 0 HD2 TYR A 41 0.643 9.940 22.021 1.00 73.52 H new ATOM 0 HE1 TYR A 41 -0.562 8.082 17.588 1.00 73.52 H new ATOM 0 HE2 TYR A 41 1.421 11.067 19.957 1.00 11.45 H new ATOM 0 HH TYR A 41 1.450 11.087 17.711 1.00 22.30 H new ATOM 669 N GLN A 42 -3.077 10.295 21.876 1.00 15.51 N ATOM 670 CA GLN A 42 -4.332 10.919 21.503 1.00 2.44 C ATOM 671 C GLN A 42 -4.834 10.500 20.145 1.00 30.02 C ATOM 672 O GLN A 42 -4.758 11.229 19.159 1.00 41.52 O ATOM 673 CB GLN A 42 -4.284 12.466 21.556 1.00 73.14 C ATOM 674 CG GLN A 42 -3.994 12.992 22.977 1.00 13.22 C ATOM 675 CD GLN A 42 -2.500 13.231 23.216 1.00 73.03 C ATOM 676 OE1 GLN A 42 -1.912 14.157 22.652 1.00 3.11 O ATOM 677 NE2 GLN A 42 -1.862 12.391 24.068 1.00 71.25 N ATOM 0 H GLN A 42 -2.252 10.835 21.615 1.00 15.51 H new ATOM 0 HA GLN A 42 -5.030 10.559 22.259 1.00 2.44 H new ATOM 0 HB2 GLN A 42 -3.515 12.828 20.873 1.00 73.14 H new ATOM 0 HB3 GLN A 42 -5.235 12.869 21.208 1.00 73.14 H new ATOM 0 HG2 GLN A 42 -4.538 13.923 23.135 1.00 13.22 H new ATOM 0 HG3 GLN A 42 -4.367 12.276 23.710 1.00 13.22 H new ATOM 0 HE21 GLN A 42 -2.376 11.634 24.519 1.00 71.25 H new ATOM 0 HE22 GLN A 42 -0.868 12.516 24.258 1.00 71.25 H new ATOM 686 N ILE A 43 -5.416 9.292 20.091 1.00 44.24 N ATOM 687 CA ILE A 43 -6.106 8.807 18.912 1.00 22.32 C ATOM 688 C ILE A 43 -7.573 9.183 19.019 1.00 44.00 C ATOM 689 O ILE A 43 -8.290 8.756 19.921 1.00 1.52 O ATOM 690 CB ILE A 43 -5.981 7.312 18.773 1.00 14.51 C ATOM 691 CG1 ILE A 43 -4.501 6.875 18.730 1.00 11.52 C ATOM 692 CG2 ILE A 43 -6.739 6.781 17.528 1.00 31.24 C ATOM 693 CD1 ILE A 43 -3.679 7.374 17.538 1.00 42.22 C ATOM 0 H ILE A 43 -5.415 8.633 20.870 1.00 44.24 H new ATOM 0 HA ILE A 43 -5.653 9.263 18.032 1.00 22.32 H new ATOM 0 HB ILE A 43 -6.444 6.873 19.656 1.00 14.51 H new ATOM 0 HG12 ILE A 43 -4.017 7.216 19.645 1.00 11.52 H new ATOM 0 HG13 ILE A 43 -4.466 5.786 18.737 1.00 11.52 H new ATOM 0 HG21 ILE A 43 -6.623 5.699 17.465 1.00 31.24 H new ATOM 0 HG22 ILE A 43 -7.797 7.028 17.613 1.00 31.24 H new ATOM 0 HG23 ILE A 43 -6.330 7.242 16.629 1.00 31.24 H new ATOM 0 HD11 ILE A 43 -2.658 7.002 17.619 1.00 42.22 H new ATOM 0 HD12 ILE A 43 -4.125 7.012 16.612 1.00 42.22 H new ATOM 0 HD13 ILE A 43 -3.669 8.464 17.534 1.00 42.22 H new ATOM 705 N THR A 44 -8.043 10.018 18.073 1.00 10.14 N ATOM 706 CA THR A 44 -9.394 10.574 18.055 1.00 1.03 C ATOM 707 C THR A 44 -10.028 10.355 16.699 1.00 72.13 C ATOM 708 O THR A 44 -11.094 10.887 16.403 1.00 51.13 O ATOM 709 CB THR A 44 -9.449 12.069 18.389 1.00 74.51 C ATOM 710 OG1 THR A 44 -8.701 12.869 17.476 1.00 3.13 O ATOM 711 CG2 THR A 44 -8.881 12.315 19.801 1.00 62.10 C ATOM 0 H THR A 44 -7.474 10.327 17.285 1.00 10.14 H new ATOM 0 HA THR A 44 -9.944 10.047 18.835 1.00 1.03 H new ATOM 0 HB THR A 44 -10.498 12.357 18.324 1.00 74.51 H new ATOM 0 HG1 THR A 44 -8.771 13.812 17.734 1.00 3.13 H new ATOM 0 HG21 THR A 44 -8.924 13.380 20.030 1.00 62.10 H new ATOM 0 HG22 THR A 44 -9.471 11.763 20.532 1.00 62.10 H new ATOM 0 HG23 THR A 44 -7.846 11.977 19.841 1.00 62.10 H new ATOM 719 N ASN A 45 -9.338 9.612 15.812 1.00 74.13 N ATOM 720 CA ASN A 45 -9.584 9.616 14.394 1.00 11.44 C ATOM 721 C ASN A 45 -10.586 8.557 13.998 1.00 54.34 C ATOM 722 O ASN A 45 -10.451 7.389 14.343 1.00 2.25 O ATOM 723 CB ASN A 45 -8.240 9.433 13.650 1.00 22.20 C ATOM 724 CG ASN A 45 -8.397 9.675 12.152 1.00 21.51 C ATOM 725 OD1 ASN A 45 -9.215 10.484 11.712 1.00 32.20 O ATOM 726 ND2 ASN A 45 -7.606 8.926 11.351 1.00 73.51 N ATOM 0 H ASN A 45 -8.582 8.986 16.088 1.00 74.13 H new ATOM 0 HA ASN A 45 -10.022 10.573 14.112 1.00 11.44 H new ATOM 0 HB2 ASN A 45 -7.500 10.123 14.056 1.00 22.20 H new ATOM 0 HB3 ASN A 45 -7.862 8.425 13.820 1.00 22.20 H new ATOM 0 HD21 ASN A 45 -7.673 9.019 10.337 1.00 73.51 H new ATOM 0 HD22 ASN A 45 -6.942 8.268 11.760 1.00 73.51 H new ATOM 733 N ARG A 46 -11.587 8.951 13.187 1.00 3.12 N ATOM 734 CA ARG A 46 -12.721 8.155 12.764 1.00 14.12 C ATOM 735 C ARG A 46 -12.335 6.894 12.012 1.00 73.34 C ATOM 736 O ARG A 46 -12.954 5.845 12.164 1.00 43.41 O ATOM 737 CB ARG A 46 -13.644 9.053 11.904 1.00 61.03 C ATOM 738 CG ARG A 46 -12.998 9.560 10.599 1.00 32.45 C ATOM 739 CD ARG A 46 -13.825 10.671 9.948 1.00 13.32 C ATOM 740 NE ARG A 46 -13.096 11.151 8.729 1.00 33.42 N ATOM 741 CZ ARG A 46 -13.527 12.227 8.004 1.00 75.35 C ATOM 742 NH1 ARG A 46 -14.664 12.885 8.365 1.00 51.23 N ATOM 743 NH2 ARG A 46 -12.805 12.635 6.921 1.00 31.22 N ATOM 0 H ARG A 46 -11.613 9.892 12.795 1.00 3.12 H new ATOM 0 HA ARG A 46 -13.240 7.804 13.656 1.00 14.12 H new ATOM 0 HB2 ARG A 46 -14.547 8.494 11.656 1.00 61.03 H new ATOM 0 HB3 ARG A 46 -13.954 9.912 12.500 1.00 61.03 H new ATOM 0 HG2 ARG A 46 -11.995 9.930 10.810 1.00 32.45 H new ATOM 0 HG3 ARG A 46 -12.891 8.730 9.900 1.00 32.45 H new ATOM 0 HD2 ARG A 46 -14.813 10.299 9.677 1.00 13.32 H new ATOM 0 HD3 ARG A 46 -13.975 11.493 10.649 1.00 13.32 H new ATOM 0 HE ARG A 46 -12.253 10.660 8.432 1.00 33.42 H new ATOM 0 HH11 ARG A 46 -15.196 12.575 9.178 1.00 51.23 H new ATOM 0 HH12 ARG A 46 -14.983 13.687 7.822 1.00 51.23 H new ATOM 0 HH21 ARG A 46 -11.953 12.139 6.660 1.00 31.22 H new ATOM 0 HH22 ARG A 46 -13.117 13.436 6.373 1.00 31.22 H new ATOM 757 N GLU A 47 -11.231 6.949 11.242 1.00 62.02 N ATOM 758 CA GLU A 47 -10.597 5.809 10.635 1.00 53.13 C ATOM 759 C GLU A 47 -10.030 4.784 11.568 1.00 71.41 C ATOM 760 O GLU A 47 -9.999 3.609 11.211 1.00 43.32 O ATOM 761 CB GLU A 47 -9.503 6.237 9.647 1.00 12.30 C ATOM 762 CG GLU A 47 -10.036 6.620 8.252 1.00 51.12 C ATOM 763 CD GLU A 47 -9.191 7.606 7.452 1.00 43.44 C ATOM 764 OE1 GLU A 47 -8.955 8.729 7.969 1.00 62.00 O ATOM 765 OE2 GLU A 47 -8.790 7.251 6.313 1.00 14.23 O ATOM 0 H GLU A 47 -10.756 7.827 11.031 1.00 62.02 H new ATOM 0 HA GLU A 47 -11.425 5.317 10.124 1.00 53.13 H new ATOM 0 HB2 GLU A 47 -8.962 7.086 10.064 1.00 12.30 H new ATOM 0 HB3 GLU A 47 -8.785 5.424 9.540 1.00 12.30 H new ATOM 0 HG2 GLU A 47 -10.144 5.708 7.665 1.00 51.12 H new ATOM 0 HG3 GLU A 47 -11.034 7.043 8.371 1.00 51.12 H new ATOM 772 N ALA A 48 -9.580 5.178 12.778 1.00 2.21 N ATOM 773 CA ALA A 48 -9.037 4.218 13.737 1.00 42.52 C ATOM 774 C ALA A 48 -10.053 3.134 14.074 1.00 62.31 C ATOM 775 O ALA A 48 -9.744 1.952 14.059 1.00 73.43 O ATOM 776 CB ALA A 48 -8.578 4.882 15.062 1.00 51.55 C ATOM 0 H ALA A 48 -9.585 6.145 13.103 1.00 2.21 H new ATOM 0 HA ALA A 48 -8.167 3.781 13.246 1.00 42.52 H new ATOM 0 HB1 ALA A 48 -8.184 4.119 15.734 1.00 51.55 H new ATOM 0 HB2 ALA A 48 -7.800 5.616 14.851 1.00 51.55 H new ATOM 0 HB3 ALA A 48 -9.426 5.378 15.533 1.00 51.55 H new ATOM 782 N GLY A 49 -11.333 3.500 14.282 1.00 54.15 N ATOM 783 CA GLY A 49 -12.409 2.547 14.528 1.00 21.22 C ATOM 784 C GLY A 49 -12.692 1.658 13.365 1.00 32.42 C ATOM 785 O GLY A 49 -12.979 0.478 13.544 1.00 2.22 O ATOM 0 H GLY A 49 -11.641 4.472 14.282 1.00 54.15 H new ATOM 0 HA2 GLY A 49 -12.150 1.933 15.390 1.00 21.22 H new ATOM 0 HA3 GLY A 49 -13.316 3.094 14.787 1.00 21.22 H new ATOM 789 N CYS A 50 -12.621 2.221 12.135 1.00 24.44 N ATOM 790 CA CYS A 50 -12.893 1.520 10.898 1.00 12.12 C ATOM 791 C CYS A 50 -11.895 0.403 10.679 1.00 33.00 C ATOM 792 O CYS A 50 -12.264 -0.694 10.269 1.00 71.30 O ATOM 793 CB CYS A 50 -12.859 2.468 9.670 1.00 73.41 C ATOM 794 SG CYS A 50 -14.180 3.731 9.619 1.00 4.23 S ATOM 0 H CYS A 50 -12.366 3.198 11.993 1.00 24.44 H new ATOM 0 HA CYS A 50 -13.897 1.107 10.992 1.00 12.12 H new ATOM 0 HB2 CYS A 50 -11.894 2.975 9.650 1.00 73.41 H new ATOM 0 HB3 CYS A 50 -12.921 1.865 8.764 1.00 73.41 H new ATOM 799 N VAL A 51 -10.594 0.643 10.973 1.00 0.11 N ATOM 800 CA VAL A 51 -9.598 -0.416 10.946 1.00 41.42 C ATOM 801 C VAL A 51 -9.801 -1.396 12.084 1.00 51.33 C ATOM 802 O VAL A 51 -9.740 -2.599 11.890 1.00 2.31 O ATOM 803 CB VAL A 51 -8.156 0.118 10.849 1.00 12.14 C ATOM 804 CG1 VAL A 51 -7.752 1.113 11.950 1.00 14.52 C ATOM 805 CG2 VAL A 51 -7.153 -1.044 10.978 1.00 71.42 C ATOM 0 H VAL A 51 -10.227 1.560 11.228 1.00 0.11 H new ATOM 0 HA VAL A 51 -9.751 -0.975 10.023 1.00 41.42 H new ATOM 0 HB VAL A 51 -8.131 0.626 9.885 1.00 12.14 H new ATOM 0 HG11 VAL A 51 -6.721 1.430 11.794 1.00 14.52 H new ATOM 0 HG12 VAL A 51 -8.408 1.983 11.913 1.00 14.52 H new ATOM 0 HG13 VAL A 51 -7.840 0.633 12.925 1.00 14.52 H new ATOM 0 HG21 VAL A 51 -6.137 -0.657 10.908 1.00 71.42 H new ATOM 0 HG22 VAL A 51 -7.288 -1.536 11.941 1.00 71.42 H new ATOM 0 HG23 VAL A 51 -7.323 -1.762 10.176 1.00 71.42 H new ATOM 815 N ILE A 52 -10.135 -0.942 13.301 1.00 32.22 N ATOM 816 CA ILE A 52 -10.279 -1.814 14.464 1.00 2.12 C ATOM 817 C ILE A 52 -11.345 -2.881 14.278 1.00 61.34 C ATOM 818 O ILE A 52 -11.119 -4.063 14.541 1.00 0.33 O ATOM 819 CB ILE A 52 -10.561 -0.976 15.709 1.00 40.34 C ATOM 820 CG1 ILE A 52 -9.301 -0.186 16.107 1.00 54.24 C ATOM 821 CG2 ILE A 52 -11.082 -1.860 16.859 1.00 21.34 C ATOM 822 CD1 ILE A 52 -9.435 1.073 16.988 1.00 22.42 C ATOM 0 H ILE A 52 -10.312 0.042 13.501 1.00 32.22 H new ATOM 0 HA ILE A 52 -9.335 -2.346 14.588 1.00 2.12 H new ATOM 0 HB ILE A 52 -11.348 -0.255 15.485 1.00 40.34 H new ATOM 0 HG12 ILE A 52 -8.634 -0.876 16.624 1.00 54.24 H new ATOM 0 HG13 ILE A 52 -8.800 0.113 15.186 1.00 54.24 H new ATOM 0 HG21 ILE A 52 -11.276 -1.241 17.735 1.00 21.34 H new ATOM 0 HG22 ILE A 52 -12.005 -2.351 16.551 1.00 21.34 H new ATOM 0 HG23 ILE A 52 -10.334 -2.614 17.106 1.00 21.34 H new ATOM 0 HD11 ILE A 52 -8.448 1.499 17.167 1.00 22.42 H new ATOM 0 HD12 ILE A 52 -10.060 1.807 16.480 1.00 22.42 H new ATOM 0 HD13 ILE A 52 -9.892 0.804 17.940 1.00 22.42 H new ATOM 834 N LEU A 53 -12.527 -2.491 13.766 1.00 3.41 N ATOM 835 CA LEU A 53 -13.622 -3.401 13.516 1.00 32.24 C ATOM 836 C LEU A 53 -13.367 -4.403 12.418 1.00 74.43 C ATOM 837 O LEU A 53 -13.887 -5.514 12.401 1.00 71.31 O ATOM 838 CB LEU A 53 -14.928 -2.600 13.281 1.00 55.55 C ATOM 839 CG LEU A 53 -15.005 -1.601 12.102 1.00 63.35 C ATOM 840 CD1 LEU A 53 -15.210 -2.218 10.713 1.00 33.23 C ATOM 841 CD2 LEU A 53 -16.124 -0.576 12.356 1.00 51.51 C ATOM 0 H LEU A 53 -12.734 -1.524 13.518 1.00 3.41 H new ATOM 0 HA LEU A 53 -13.729 -4.012 14.412 1.00 32.24 H new ATOM 0 HB2 LEU A 53 -15.735 -3.321 13.152 1.00 55.55 H new ATOM 0 HB3 LEU A 53 -15.140 -2.045 14.195 1.00 55.55 H new ATOM 0 HG LEU A 53 -14.019 -1.137 12.076 1.00 63.35 H new ATOM 0 HD11 LEU A 53 -15.249 -1.426 9.965 1.00 33.23 H new ATOM 0 HD12 LEU A 53 -14.382 -2.890 10.487 1.00 33.23 H new ATOM 0 HD13 LEU A 53 -16.145 -2.777 10.698 1.00 33.23 H new ATOM 0 HD21 LEU A 53 -16.172 0.124 11.522 1.00 51.51 H new ATOM 0 HD22 LEU A 53 -17.078 -1.095 12.450 1.00 51.51 H new ATOM 0 HD23 LEU A 53 -15.915 -0.030 13.276 1.00 51.51 H new ATOM 853 N CYS A 54 -12.530 -4.002 11.460 1.00 63.04 N ATOM 854 CA CYS A 54 -12.023 -4.797 10.387 1.00 74.43 C ATOM 855 C CYS A 54 -11.102 -5.920 10.827 1.00 11.11 C ATOM 856 O CYS A 54 -11.231 -7.024 10.310 1.00 60.12 O ATOM 857 CB CYS A 54 -11.394 -3.819 9.426 1.00 34.32 C ATOM 858 SG CYS A 54 -10.560 -4.491 7.996 1.00 44.42 S ATOM 0 H CYS A 54 -12.176 -3.046 11.429 1.00 63.04 H new ATOM 0 HA CYS A 54 -12.825 -5.354 9.903 1.00 74.43 H new ATOM 0 HB2 CYS A 54 -12.174 -3.144 9.074 1.00 34.32 H new ATOM 0 HB3 CYS A 54 -10.676 -3.215 9.982 1.00 34.32 H new ATOM 863 N LEU A 55 -10.159 -5.753 11.802 1.00 53.12 N ATOM 864 CA LEU A 55 -9.417 -6.893 12.283 1.00 44.13 C ATOM 865 C LEU A 55 -10.306 -7.928 12.896 1.00 13.02 C ATOM 866 O LEU A 55 -10.137 -9.108 12.643 1.00 74.04 O ATOM 867 CB LEU A 55 -8.397 -6.376 13.265 1.00 1.51 C ATOM 868 CG LEU A 55 -7.221 -5.659 12.570 1.00 41.21 C ATOM 869 CD1 LEU A 55 -6.300 -6.644 11.843 1.00 75.31 C ATOM 870 CD2 LEU A 55 -7.460 -4.420 11.717 1.00 23.34 C ATOM 0 H LEU A 55 -9.922 -4.862 12.239 1.00 53.12 H new ATOM 0 HA LEU A 55 -8.924 -7.397 11.452 1.00 44.13 H new ATOM 0 HB2 LEU A 55 -8.880 -5.687 13.958 1.00 1.51 H new ATOM 0 HB3 LEU A 55 -8.013 -7.207 13.857 1.00 1.51 H new ATOM 0 HG LEU A 55 -6.744 -5.218 13.445 1.00 41.21 H new ATOM 0 HD11 LEU A 55 -5.486 -6.097 11.368 1.00 75.31 H new ATOM 0 HD12 LEU A 55 -5.890 -7.355 12.560 1.00 75.31 H new ATOM 0 HD13 LEU A 55 -6.868 -7.181 11.084 1.00 75.31 H new ATOM 0 HD21 LEU A 55 -6.510 -4.065 11.317 1.00 23.34 H new ATOM 0 HD22 LEU A 55 -8.130 -4.668 10.894 1.00 23.34 H new ATOM 0 HD23 LEU A 55 -7.911 -3.638 12.329 1.00 23.34 H new ATOM 882 N ALA A 56 -11.345 -7.490 13.612 1.00 34.31 N ATOM 883 CA ALA A 56 -12.341 -8.309 14.252 1.00 12.43 C ATOM 884 C ALA A 56 -13.062 -9.286 13.342 1.00 1.20 C ATOM 885 O ALA A 56 -13.399 -10.405 13.740 1.00 40.33 O ATOM 886 CB ALA A 56 -13.311 -7.333 14.920 1.00 53.45 C ATOM 0 H ALA A 56 -11.510 -6.494 13.760 1.00 34.31 H new ATOM 0 HA ALA A 56 -11.850 -8.971 14.966 1.00 12.43 H new ATOM 0 HB1 ALA A 56 -14.097 -7.892 15.427 1.00 53.45 H new ATOM 0 HB2 ALA A 56 -12.772 -6.724 15.646 1.00 53.45 H new ATOM 0 HB3 ALA A 56 -13.756 -6.687 14.163 1.00 53.45 H new ATOM 892 N LYS A 57 -13.301 -8.885 12.078 1.00 42.25 N ATOM 893 CA LYS A 57 -13.850 -9.789 11.088 1.00 2.01 C ATOM 894 C LYS A 57 -12.776 -10.675 10.438 1.00 44.13 C ATOM 895 O LYS A 57 -13.084 -11.724 9.873 1.00 54.14 O ATOM 896 CB LYS A 57 -14.667 -9.014 10.005 1.00 75.23 C ATOM 897 CG LYS A 57 -13.924 -8.232 8.913 1.00 14.41 C ATOM 898 CD LYS A 57 -14.901 -7.543 7.943 1.00 51.42 C ATOM 899 CE LYS A 57 -14.204 -6.798 6.806 1.00 43.14 C ATOM 900 NZ LYS A 57 -15.223 -6.215 5.911 1.00 20.44 N ATOM 0 H LYS A 57 -13.118 -7.942 11.734 1.00 42.25 H new ATOM 0 HA LYS A 57 -14.530 -10.455 11.619 1.00 2.01 H new ATOM 0 HB2 LYS A 57 -15.315 -9.735 9.507 1.00 75.23 H new ATOM 0 HB3 LYS A 57 -15.315 -8.310 10.527 1.00 75.23 H new ATOM 0 HG2 LYS A 57 -13.281 -7.483 9.375 1.00 14.41 H new ATOM 0 HG3 LYS A 57 -13.276 -8.909 8.357 1.00 14.41 H new ATOM 0 HD2 LYS A 57 -15.570 -8.292 7.520 1.00 51.42 H new ATOM 0 HD3 LYS A 57 -15.521 -6.841 8.501 1.00 51.42 H new ATOM 0 HE2 LYS A 57 -13.564 -6.013 7.208 1.00 43.14 H new ATOM 0 HE3 LYS A 57 -13.561 -7.479 6.249 1.00 43.14 H new ATOM 0 HZ1 LYS A 57 -14.753 -5.706 5.135 1.00 20.44 H new ATOM 0 HZ2 LYS A 57 -15.816 -6.974 5.519 1.00 20.44 H new ATOM 0 HZ3 LYS A 57 -15.819 -5.553 6.448 1.00 20.44 H new ATOM 914 N LYS A 58 -11.476 -10.293 10.520 1.00 11.11 N ATOM 915 CA LYS A 58 -10.357 -10.911 9.828 1.00 70.55 C ATOM 916 C LYS A 58 -9.406 -11.647 10.777 1.00 71.44 C ATOM 917 O LYS A 58 -8.192 -11.668 10.595 1.00 54.34 O ATOM 918 CB LYS A 58 -9.563 -9.848 9.026 1.00 2.43 C ATOM 919 CG LYS A 58 -10.321 -9.209 7.852 1.00 64.41 C ATOM 920 CD LYS A 58 -9.422 -8.272 7.021 1.00 62.21 C ATOM 921 CE LYS A 58 -10.092 -7.682 5.777 1.00 35.23 C ATOM 922 NZ LYS A 58 -10.424 -8.748 4.809 1.00 45.12 N ATOM 0 H LYS A 58 -11.185 -9.508 11.102 1.00 11.11 H new ATOM 0 HA LYS A 58 -10.783 -11.650 9.150 1.00 70.55 H new ATOM 0 HB2 LYS A 58 -9.253 -9.058 9.710 1.00 2.43 H new ATOM 0 HB3 LYS A 58 -8.654 -10.311 8.641 1.00 2.43 H new ATOM 0 HG2 LYS A 58 -10.719 -9.993 7.208 1.00 64.41 H new ATOM 0 HG3 LYS A 58 -11.173 -8.647 8.234 1.00 64.41 H new ATOM 0 HD2 LYS A 58 -9.085 -7.454 7.658 1.00 62.21 H new ATOM 0 HD3 LYS A 58 -8.533 -8.823 6.712 1.00 62.21 H new ATOM 0 HE2 LYS A 58 -10.998 -7.149 6.064 1.00 35.23 H new ATOM 0 HE3 LYS A 58 -9.428 -6.954 5.311 1.00 35.23 H new ATOM 0 HZ1 LYS A 58 -10.735 -8.320 3.914 1.00 45.12 H new ATOM 0 HZ2 LYS A 58 -9.583 -9.335 4.638 1.00 45.12 H new ATOM 0 HZ3 LYS A 58 -11.188 -9.340 5.193 1.00 45.12 H new ATOM 936 N LEU A 59 -9.941 -12.313 11.821 1.00 71.44 N ATOM 937 CA LEU A 59 -9.164 -13.017 12.853 1.00 20.54 C ATOM 938 C LEU A 59 -8.804 -14.402 12.407 1.00 61.55 C ATOM 939 O LEU A 59 -7.891 -15.052 12.890 1.00 61.43 O ATOM 940 CB LEU A 59 -9.892 -13.205 14.197 1.00 12.41 C ATOM 941 CG LEU A 59 -10.280 -11.880 14.857 1.00 43.42 C ATOM 942 CD1 LEU A 59 -11.029 -12.124 16.175 1.00 71.21 C ATOM 943 CD2 LEU A 59 -9.222 -10.783 14.911 1.00 53.24 C ATOM 0 H LEU A 59 -10.948 -12.376 11.970 1.00 71.44 H new ATOM 0 HA LEU A 59 -8.298 -12.371 12.997 1.00 20.54 H new ATOM 0 HB2 LEU A 59 -10.790 -13.802 14.037 1.00 12.41 H new ATOM 0 HB3 LEU A 59 -9.251 -13.769 14.875 1.00 12.41 H new ATOM 0 HG LEU A 59 -10.976 -11.418 14.157 1.00 43.42 H new ATOM 0 HD11 LEU A 59 -11.294 -11.167 16.625 1.00 71.21 H new ATOM 0 HD12 LEU A 59 -11.936 -12.696 15.978 1.00 71.21 H new ATOM 0 HD13 LEU A 59 -10.390 -12.682 16.859 1.00 71.21 H new ATOM 0 HD21 LEU A 59 -9.635 -9.903 15.405 1.00 53.24 H new ATOM 0 HD22 LEU A 59 -8.356 -11.140 15.469 1.00 53.24 H new ATOM 0 HD23 LEU A 59 -8.917 -10.521 13.898 1.00 53.24 H new ATOM 955 N GLU A 60 -9.553 -14.847 11.407 1.00 70.52 N ATOM 956 CA GLU A 60 -9.446 -16.115 10.699 1.00 70.53 C ATOM 957 C GLU A 60 -8.090 -16.211 10.027 1.00 52.54 C ATOM 958 O GLU A 60 -7.493 -17.274 9.887 1.00 21.01 O ATOM 959 CB GLU A 60 -10.520 -16.204 9.599 1.00 60.03 C ATOM 960 CG GLU A 60 -11.976 -16.225 10.114 1.00 32.23 C ATOM 961 CD GLU A 60 -12.387 -17.529 10.798 1.00 22.52 C ATOM 962 OE1 GLU A 60 -11.947 -17.758 11.960 1.00 3.33 O ATOM 963 OE2 GLU A 60 -13.165 -18.295 10.175 1.00 34.13 O ATOM 0 H GLU A 60 -10.317 -14.280 11.039 1.00 70.52 H new ATOM 0 HA GLU A 60 -9.579 -16.921 11.421 1.00 70.53 H new ATOM 0 HB2 GLU A 60 -10.400 -15.356 8.925 1.00 60.03 H new ATOM 0 HB3 GLU A 60 -10.344 -17.105 9.012 1.00 60.03 H new ATOM 0 HG2 GLU A 60 -12.112 -15.403 10.816 1.00 32.23 H new ATOM 0 HG3 GLU A 60 -12.648 -16.042 9.275 1.00 32.23 H new ATOM 970 N LEU A 61 -7.627 -15.031 9.579 1.00 21.25 N ATOM 971 CA LEU A 61 -6.373 -14.748 8.911 1.00 33.40 C ATOM 972 C LEU A 61 -5.174 -14.999 9.825 1.00 44.53 C ATOM 973 O LEU A 61 -4.065 -15.261 9.362 1.00 45.45 O ATOM 974 CB LEU A 61 -6.264 -13.282 8.440 1.00 55.41 C ATOM 975 CG LEU A 61 -7.331 -12.722 7.472 1.00 62.21 C ATOM 976 CD1 LEU A 61 -6.700 -11.853 6.379 1.00 74.12 C ATOM 977 CD2 LEU A 61 -8.545 -13.577 7.054 1.00 64.43 C ATOM 0 H LEU A 61 -8.182 -14.183 9.692 1.00 21.25 H new ATOM 0 HA LEU A 61 -6.361 -15.420 8.053 1.00 33.40 H new ATOM 0 HB2 LEU A 61 -6.263 -12.651 9.329 1.00 55.41 H new ATOM 0 HB3 LEU A 61 -5.292 -13.162 7.962 1.00 55.41 H new ATOM 0 HG LEU A 61 -7.912 -12.078 8.132 1.00 62.21 H new ATOM 0 HD11 LEU A 61 -7.480 -11.477 5.717 1.00 74.12 H new ATOM 0 HD12 LEU A 61 -6.178 -11.014 6.838 1.00 74.12 H new ATOM 0 HD13 LEU A 61 -5.993 -12.450 5.803 1.00 74.12 H new ATOM 0 HD21 LEU A 61 -9.175 -13.006 6.372 1.00 64.43 H new ATOM 0 HD22 LEU A 61 -8.198 -14.482 6.555 1.00 64.43 H new ATOM 0 HD23 LEU A 61 -9.121 -13.848 7.939 1.00 64.43 H new ATOM 989 N LEU A 62 -5.382 -14.855 11.153 1.00 25.23 N ATOM 990 CA LEU A 62 -4.383 -14.935 12.204 1.00 45.24 C ATOM 991 C LEU A 62 -3.857 -16.346 12.385 1.00 70.21 C ATOM 992 O LEU A 62 -4.444 -17.341 11.968 1.00 11.33 O ATOM 993 CB LEU A 62 -4.935 -14.445 13.571 1.00 61.10 C ATOM 994 CG LEU A 62 -5.423 -12.984 13.524 1.00 73.01 C ATOM 995 CD1 LEU A 62 -6.177 -12.550 14.791 1.00 12.51 C ATOM 996 CD2 LEU A 62 -4.289 -11.988 13.238 1.00 42.12 C ATOM 0 H LEU A 62 -6.313 -14.669 11.526 1.00 25.23 H new ATOM 0 HA LEU A 62 -3.571 -14.282 11.883 1.00 45.24 H new ATOM 0 HB2 LEU A 62 -5.759 -15.090 13.878 1.00 61.10 H new ATOM 0 HB3 LEU A 62 -4.157 -14.540 14.328 1.00 61.10 H new ATOM 0 HG LEU A 62 -6.126 -12.962 12.691 1.00 73.01 H new ATOM 0 HD11 LEU A 62 -6.491 -11.511 14.689 1.00 12.51 H new ATOM 0 HD12 LEU A 62 -7.054 -13.183 14.927 1.00 12.51 H new ATOM 0 HD13 LEU A 62 -5.521 -12.648 15.656 1.00 12.51 H new ATOM 0 HD21 LEU A 62 -4.691 -10.975 13.216 1.00 42.12 H new ATOM 0 HD22 LEU A 62 -3.534 -12.062 14.020 1.00 42.12 H new ATOM 0 HD23 LEU A 62 -3.836 -12.219 12.274 1.00 42.12 H new ATOM 1008 N ASP A 63 -2.663 -16.456 12.998 1.00 30.22 N ATOM 1009 CA ASP A 63 -1.979 -17.719 13.152 1.00 0.44 C ATOM 1010 C ASP A 63 -2.689 -18.630 14.150 1.00 62.01 C ATOM 1011 O ASP A 63 -2.983 -18.232 15.274 1.00 54.43 O ATOM 1012 CB ASP A 63 -0.518 -17.477 13.604 1.00 24.23 C ATOM 1013 CG ASP A 63 0.267 -16.766 12.509 1.00 52.34 C ATOM 1014 OD1 ASP A 63 0.425 -17.369 11.416 1.00 65.51 O ATOM 1015 OD2 ASP A 63 0.712 -15.617 12.763 1.00 31.42 O ATOM 0 H ASP A 63 -2.160 -15.662 13.394 1.00 30.22 H new ATOM 0 HA ASP A 63 -1.985 -18.220 12.184 1.00 0.44 H new ATOM 0 HB2 ASP A 63 -0.507 -16.878 14.515 1.00 24.23 H new ATOM 0 HB3 ASP A 63 -0.042 -18.428 13.842 1.00 24.23 H new ATOM 1020 N GLN A 64 -2.930 -19.910 13.782 1.00 41.43 N ATOM 1021 CA GLN A 64 -3.694 -20.867 14.568 1.00 11.20 C ATOM 1022 C GLN A 64 -3.099 -21.169 15.938 1.00 41.24 C ATOM 1023 O GLN A 64 -3.812 -21.473 16.890 1.00 2.15 O ATOM 1024 CB GLN A 64 -3.936 -22.163 13.749 1.00 11.25 C ATOM 1025 CG GLN A 64 -4.766 -23.250 14.474 1.00 25.02 C ATOM 1026 CD GLN A 64 -6.155 -22.767 14.925 1.00 4.21 C ATOM 1027 OE1 GLN A 64 -7.032 -22.406 14.133 1.00 65.45 O ATOM 1028 NE2 GLN A 64 -6.363 -22.755 16.268 1.00 24.25 N ATOM 0 H GLN A 64 -2.583 -20.301 12.906 1.00 41.43 H new ATOM 0 HA GLN A 64 -4.652 -20.393 14.781 1.00 11.20 H new ATOM 0 HB2 GLN A 64 -4.443 -21.899 12.821 1.00 11.25 H new ATOM 0 HB3 GLN A 64 -2.970 -22.587 13.475 1.00 11.25 H new ATOM 0 HG2 GLN A 64 -4.886 -24.106 13.810 1.00 25.02 H new ATOM 0 HG3 GLN A 64 -4.211 -23.598 15.345 1.00 25.02 H new ATOM 0 HE21 GLN A 64 -5.623 -23.058 16.901 1.00 24.25 H new ATOM 0 HE22 GLN A 64 -7.259 -22.443 16.643 1.00 24.25 H new ATOM 1037 N ASP A 65 -1.770 -21.016 16.097 1.00 40.01 N ATOM 1038 CA ASP A 65 -1.047 -21.215 17.343 1.00 1.32 C ATOM 1039 C ASP A 65 -1.573 -20.357 18.498 1.00 21.44 C ATOM 1040 O ASP A 65 -1.565 -20.804 19.643 1.00 40.14 O ATOM 1041 CB ASP A 65 0.455 -20.892 17.152 1.00 4.40 C ATOM 1042 CG ASP A 65 1.106 -21.926 16.246 1.00 13.52 C ATOM 1043 OD1 ASP A 65 1.232 -23.100 16.677 1.00 53.43 O ATOM 1044 OD2 ASP A 65 1.461 -21.541 15.101 1.00 42.24 O ATOM 0 H ASP A 65 -1.160 -20.741 15.327 1.00 40.01 H new ATOM 0 HA ASP A 65 -1.197 -22.262 17.605 1.00 1.32 H new ATOM 0 HB2 ASP A 65 0.568 -19.898 16.720 1.00 4.40 H new ATOM 0 HB3 ASP A 65 0.957 -20.879 18.119 1.00 4.40 H new ATOM 1049 N MET A 66 -2.048 -19.111 18.243 1.00 5.41 N ATOM 1050 CA MET A 66 -2.602 -18.281 19.305 1.00 42.20 C ATOM 1051 C MET A 66 -4.047 -18.641 19.624 1.00 0.42 C ATOM 1052 O MET A 66 -4.576 -18.209 20.647 1.00 1.25 O ATOM 1053 CB MET A 66 -2.504 -16.761 18.985 1.00 52.41 C ATOM 1054 CG MET A 66 -3.459 -16.193 17.917 1.00 23.33 C ATOM 1055 SD MET A 66 -3.125 -14.467 17.438 1.00 31.53 S ATOM 1056 CE MET A 66 -3.756 -13.655 18.934 1.00 3.12 C ATOM 0 H MET A 66 -2.052 -18.678 17.320 1.00 5.41 H new ATOM 0 HA MET A 66 -1.990 -18.488 20.183 1.00 42.20 H new ATOM 0 HB2 MET A 66 -2.671 -16.211 19.911 1.00 52.41 H new ATOM 0 HB3 MET A 66 -1.483 -16.550 18.669 1.00 52.41 H new ATOM 0 HG2 MET A 66 -3.402 -16.820 17.027 1.00 23.33 H new ATOM 0 HG3 MET A 66 -4.481 -16.261 18.290 1.00 23.33 H new ATOM 0 HE1 MET A 66 -4.428 -12.844 18.652 1.00 3.12 H new ATOM 0 HE2 MET A 66 -4.298 -14.380 19.541 1.00 3.12 H new ATOM 0 HE3 MET A 66 -2.922 -13.252 19.509 1.00 3.12 H new ATOM 1066 N ASN A 67 -4.696 -19.456 18.752 1.00 42.50 N ATOM 1067 CA ASN A 67 -6.074 -19.920 18.814 1.00 50.55 C ATOM 1068 C ASN A 67 -7.147 -18.842 18.791 1.00 44.43 C ATOM 1069 O ASN A 67 -8.227 -19.030 19.350 1.00 31.55 O ATOM 1070 CB ASN A 67 -6.298 -20.875 20.032 1.00 71.24 C ATOM 1071 CG ASN A 67 -5.537 -22.184 19.825 1.00 44.12 C ATOM 1072 OD1 ASN A 67 -6.031 -23.088 19.147 1.00 21.24 O ATOM 1073 ND2 ASN A 67 -4.305 -22.297 20.378 1.00 13.21 N ATOM 0 H ASN A 67 -4.217 -19.824 17.930 1.00 42.50 H new ATOM 0 HA ASN A 67 -6.202 -20.462 17.877 1.00 50.55 H new ATOM 0 HB2 ASN A 67 -5.961 -20.391 20.949 1.00 71.24 H new ATOM 0 HB3 ASN A 67 -7.362 -21.080 20.152 1.00 71.24 H new ATOM 0 HD21 ASN A 67 -3.759 -23.147 20.238 1.00 13.21 H new ATOM 0 HD22 ASN A 67 -3.923 -21.532 20.934 1.00 13.21 H new ATOM 1080 N LEU A 68 -6.925 -17.694 18.100 1.00 3.24 N ATOM 1081 CA LEU A 68 -7.965 -16.685 17.996 1.00 60.32 C ATOM 1082 C LEU A 68 -8.948 -17.037 16.902 1.00 3.53 C ATOM 1083 O LEU A 68 -8.578 -17.159 15.738 1.00 22.22 O ATOM 1084 CB LEU A 68 -7.402 -15.275 17.686 1.00 74.12 C ATOM 1085 CG LEU A 68 -8.247 -14.080 18.195 1.00 33.20 C ATOM 1086 CD1 LEU A 68 -7.896 -12.746 17.560 1.00 71.01 C ATOM 1087 CD2 LEU A 68 -9.715 -14.298 18.594 1.00 1.25 C ATOM 0 H LEU A 68 -6.053 -17.464 17.624 1.00 3.24 H new ATOM 0 HA LEU A 68 -8.455 -16.665 18.969 1.00 60.32 H new ATOM 0 HB2 LEU A 68 -6.405 -15.200 18.120 1.00 74.12 H new ATOM 0 HB3 LEU A 68 -7.288 -15.180 16.606 1.00 74.12 H new ATOM 0 HG LEU A 68 -7.872 -14.008 19.216 1.00 33.20 H new ATOM 0 HD11 LEU A 68 -8.536 -11.966 17.974 1.00 71.01 H new ATOM 0 HD12 LEU A 68 -6.853 -12.508 17.767 1.00 71.01 H new ATOM 0 HD13 LEU A 68 -8.047 -12.805 16.482 1.00 71.01 H new ATOM 0 HD21 LEU A 68 -10.146 -13.353 18.925 1.00 1.25 H new ATOM 0 HD22 LEU A 68 -10.274 -14.671 17.736 1.00 1.25 H new ATOM 0 HD23 LEU A 68 -9.768 -15.024 19.405 1.00 1.25 H new ATOM 1099 N HIS A 69 -10.242 -17.158 17.253 1.00 12.33 N ATOM 1100 CA HIS A 69 -11.290 -17.176 16.269 1.00 51.43 C ATOM 1101 C HIS A 69 -12.437 -16.396 16.837 1.00 70.32 C ATOM 1102 O HIS A 69 -12.620 -16.301 18.052 1.00 4.12 O ATOM 1103 CB HIS A 69 -11.745 -18.609 15.869 1.00 24.41 C ATOM 1104 CG HIS A 69 -10.705 -19.396 15.106 1.00 12.13 C ATOM 1105 ND1 HIS A 69 -10.563 -19.255 13.753 1.00 65.14 N ATOM 1106 CD2 HIS A 69 -9.774 -20.297 15.505 1.00 40.32 C ATOM 1107 CE1 HIS A 69 -9.588 -20.046 13.341 1.00 52.53 C ATOM 1108 NE2 HIS A 69 -9.093 -20.691 14.380 1.00 2.32 N ATOM 0 H HIS A 69 -10.566 -17.244 18.216 1.00 12.33 H new ATOM 0 HA HIS A 69 -10.914 -16.732 15.347 1.00 51.43 H new ATOM 0 HB2 HIS A 69 -12.012 -19.159 16.771 1.00 24.41 H new ATOM 0 HB3 HIS A 69 -12.647 -18.536 15.262 1.00 24.41 H new ATOM 0 HD1 HIS A 69 -11.119 -18.640 13.159 1.00 65.14 H new ATOM 0 HD2 HIS A 69 -9.601 -20.639 16.515 1.00 40.32 H new ATOM 0 HE1 HIS A 69 -9.251 -20.148 12.320 1.00 52.53 H new ATOM 0 HE2 HIS A 69 -8.332 -21.369 14.352 1.00 2.32 H new ATOM 1117 N HIS A 70 -13.208 -15.756 15.938 1.00 71.34 N ATOM 1118 CA HIS A 70 -14.287 -14.859 16.275 1.00 42.34 C ATOM 1119 C HIS A 70 -15.418 -15.594 16.976 1.00 64.10 C ATOM 1120 O HIS A 70 -15.866 -16.652 16.542 1.00 41.44 O ATOM 1121 CB HIS A 70 -14.779 -14.179 14.983 1.00 73.44 C ATOM 1122 CG HIS A 70 -15.807 -13.091 15.102 1.00 10.03 C ATOM 1123 ND1 HIS A 70 -15.572 -11.811 14.677 1.00 50.25 N ATOM 1124 CD2 HIS A 70 -17.107 -13.153 15.470 1.00 55.40 C ATOM 1125 CE1 HIS A 70 -16.698 -11.128 14.771 1.00 33.54 C ATOM 1126 NE2 HIS A 70 -17.638 -11.911 15.261 1.00 52.35 N ATOM 0 H HIS A 70 -13.079 -15.864 14.932 1.00 71.34 H new ATOM 0 HA HIS A 70 -13.927 -14.102 16.972 1.00 42.34 H new ATOM 0 HB2 HIS A 70 -13.910 -13.762 14.474 1.00 73.44 H new ATOM 0 HB3 HIS A 70 -15.187 -14.953 14.334 1.00 73.44 H new ATOM 0 HD1 HIS A 70 -14.679 -11.447 14.344 1.00 50.25 H new ATOM 0 HD2 HIS A 70 -17.626 -14.018 15.855 1.00 55.40 H new ATOM 0 HE1 HIS A 70 -16.828 -10.093 14.491 1.00 33.54 H new ATOM 1135 N GLY A 71 -15.878 -15.042 18.115 1.00 4.22 N ATOM 1136 CA GLY A 71 -16.932 -15.624 18.939 1.00 45.05 C ATOM 1137 C GLY A 71 -16.453 -16.561 20.022 1.00 71.11 C ATOM 1138 O GLY A 71 -17.218 -16.918 20.912 1.00 45.30 O ATOM 0 H GLY A 71 -15.515 -14.164 18.487 1.00 4.22 H new ATOM 0 HA2 GLY A 71 -17.497 -14.816 19.403 1.00 45.05 H new ATOM 0 HA3 GLY A 71 -17.622 -16.165 18.291 1.00 45.05 H new ATOM 1142 N LYS A 72 -15.167 -16.974 20.000 1.00 62.32 N ATOM 1143 CA LYS A 72 -14.608 -17.987 20.881 1.00 74.04 C ATOM 1144 C LYS A 72 -13.753 -17.344 21.957 1.00 42.20 C ATOM 1145 O LYS A 72 -12.845 -17.967 22.511 1.00 11.24 O ATOM 1146 CB LYS A 72 -13.767 -19.062 20.123 1.00 11.32 C ATOM 1147 CG LYS A 72 -14.566 -20.085 19.281 1.00 63.11 C ATOM 1148 CD LYS A 72 -15.154 -19.580 17.953 1.00 40.12 C ATOM 1149 CE LYS A 72 -15.963 -20.633 17.184 1.00 72.51 C ATOM 1150 NZ LYS A 72 -15.099 -21.752 16.757 1.00 33.14 N ATOM 0 H LYS A 72 -14.482 -16.593 19.347 1.00 62.32 H new ATOM 0 HA LYS A 72 -15.458 -18.498 21.333 1.00 74.04 H new ATOM 0 HB2 LYS A 72 -13.067 -18.548 19.464 1.00 11.32 H new ATOM 0 HB3 LYS A 72 -13.172 -19.610 20.854 1.00 11.32 H new ATOM 0 HG2 LYS A 72 -13.913 -20.930 19.064 1.00 63.11 H new ATOM 0 HG3 LYS A 72 -15.385 -20.463 19.893 1.00 63.11 H new ATOM 0 HD2 LYS A 72 -15.795 -18.722 18.155 1.00 40.12 H new ATOM 0 HD3 LYS A 72 -14.341 -19.228 17.319 1.00 40.12 H new ATOM 0 HE2 LYS A 72 -16.769 -21.010 17.814 1.00 72.51 H new ATOM 0 HE3 LYS A 72 -16.429 -20.174 16.312 1.00 72.51 H new ATOM 0 HZ1 LYS A 72 -15.639 -22.391 16.140 1.00 33.14 H new ATOM 0 HZ2 LYS A 72 -14.279 -21.379 16.237 1.00 33.14 H new ATOM 0 HZ3 LYS A 72 -14.769 -22.275 17.593 1.00 33.14 H new ATOM 1164 N ALA A 73 -14.050 -16.071 22.314 1.00 73.21 N ATOM 1165 CA ALA A 73 -13.264 -15.263 23.223 1.00 30.14 C ATOM 1166 C ALA A 73 -13.073 -15.864 24.574 1.00 42.32 C ATOM 1167 O ALA A 73 -11.957 -15.846 25.066 1.00 25.31 O ATOM 1168 CB ALA A 73 -13.908 -13.901 23.477 1.00 32.25 C ATOM 0 H ALA A 73 -14.871 -15.582 21.956 1.00 73.21 H new ATOM 0 HA ALA A 73 -12.304 -15.183 22.713 1.00 30.14 H new ATOM 0 HB1 ALA A 73 -13.286 -13.327 24.164 1.00 32.25 H new ATOM 0 HB2 ALA A 73 -14.001 -13.361 22.535 1.00 32.25 H new ATOM 0 HB3 ALA A 73 -14.897 -14.042 23.914 1.00 32.25 H new ATOM 1174 N MET A 74 -14.117 -16.435 25.202 1.00 1.20 N ATOM 1175 CA MET A 74 -13.964 -16.970 26.547 1.00 0.13 C ATOM 1176 C MET A 74 -12.941 -18.103 26.608 1.00 65.10 C ATOM 1177 O MET A 74 -12.114 -18.159 27.515 1.00 54.04 O ATOM 1178 CB MET A 74 -15.307 -17.474 27.133 1.00 72.31 C ATOM 1179 CG MET A 74 -16.306 -16.332 27.405 1.00 2.22 C ATOM 1180 SD MET A 74 -17.864 -16.861 28.184 1.00 74.42 S ATOM 1181 CE MET A 74 -17.193 -17.098 29.856 1.00 75.31 C ATOM 0 H MET A 74 -15.051 -16.532 24.803 1.00 1.20 H new ATOM 0 HA MET A 74 -13.604 -16.136 27.150 1.00 0.13 H new ATOM 0 HB2 MET A 74 -15.756 -18.186 26.440 1.00 72.31 H new ATOM 0 HB3 MET A 74 -15.114 -18.011 28.062 1.00 72.31 H new ATOM 0 HG2 MET A 74 -15.827 -15.592 28.046 1.00 2.22 H new ATOM 0 HG3 MET A 74 -16.536 -15.835 26.462 1.00 2.22 H new ATOM 0 HE1 MET A 74 -17.381 -18.121 30.182 1.00 75.31 H new ATOM 0 HE2 MET A 74 -16.119 -16.912 29.847 1.00 75.31 H new ATOM 0 HE3 MET A 74 -17.676 -16.403 30.544 1.00 75.31 H new ATOM 1191 N GLU A 75 -12.957 -19.006 25.602 1.00 74.55 N ATOM 1192 CA GLU A 75 -11.987 -20.085 25.470 1.00 62.11 C ATOM 1193 C GLU A 75 -10.588 -19.597 25.111 1.00 72.32 C ATOM 1194 O GLU A 75 -9.596 -20.000 25.715 1.00 2.13 O ATOM 1195 CB GLU A 75 -12.445 -21.115 24.404 1.00 1.52 C ATOM 1196 CG GLU A 75 -13.709 -21.904 24.827 1.00 52.13 C ATOM 1197 CD GLU A 75 -14.152 -22.905 23.758 1.00 74.14 C ATOM 1198 OE1 GLU A 75 -15.269 -22.717 23.211 1.00 20.12 O ATOM 1199 OE2 GLU A 75 -13.381 -23.862 23.490 1.00 32.33 O ATOM 0 H GLU A 75 -13.655 -18.995 24.859 1.00 74.55 H new ATOM 0 HA GLU A 75 -11.936 -20.554 26.453 1.00 62.11 H new ATOM 0 HB2 GLU A 75 -12.645 -20.595 23.467 1.00 1.52 H new ATOM 0 HB3 GLU A 75 -11.633 -21.816 24.212 1.00 1.52 H new ATOM 0 HG2 GLU A 75 -13.509 -22.434 25.758 1.00 52.13 H new ATOM 0 HG3 GLU A 75 -14.521 -21.205 25.026 1.00 52.13 H new ATOM 1206 N PHE A 76 -10.504 -18.666 24.137 1.00 35.45 N ATOM 1207 CA PHE A 76 -9.300 -17.994 23.681 1.00 23.02 C ATOM 1208 C PHE A 76 -8.615 -17.196 24.772 1.00 45.33 C ATOM 1209 O PHE A 76 -7.412 -17.314 24.985 1.00 23.05 O ATOM 1210 CB PHE A 76 -9.689 -17.092 22.472 1.00 51.55 C ATOM 1211 CG PHE A 76 -8.613 -16.131 22.048 1.00 33.32 C ATOM 1212 CD1 PHE A 76 -7.439 -16.544 21.405 1.00 53.13 C ATOM 1213 CD2 PHE A 76 -8.758 -14.780 22.396 1.00 2.30 C ATOM 1214 CE1 PHE A 76 -6.459 -15.607 21.051 1.00 11.51 C ATOM 1215 CE2 PHE A 76 -7.741 -13.868 22.128 1.00 61.15 C ATOM 1216 CZ PHE A 76 -6.603 -14.269 21.425 1.00 72.23 C ATOM 0 H PHE A 76 -11.331 -18.355 23.627 1.00 35.45 H new ATOM 0 HA PHE A 76 -8.569 -18.744 23.380 1.00 23.02 H new ATOM 0 HB2 PHE A 76 -9.946 -17.729 21.626 1.00 51.55 H new ATOM 0 HB3 PHE A 76 -10.585 -16.527 22.728 1.00 51.55 H new ATOM 0 HD1 PHE A 76 -7.288 -17.590 21.181 1.00 53.13 H new ATOM 0 HD2 PHE A 76 -9.666 -14.445 22.876 1.00 2.30 H new ATOM 0 HE1 PHE A 76 -5.592 -15.920 20.489 1.00 11.51 H new ATOM 0 HE2 PHE A 76 -7.832 -12.846 22.465 1.00 61.15 H new ATOM 0 HZ PHE A 76 -5.839 -13.549 21.172 1.00 72.23 H new ATOM 1226 N ALA A 77 -9.375 -16.383 25.520 1.00 75.21 N ATOM 1227 CA ALA A 77 -8.861 -15.523 26.550 1.00 4.13 C ATOM 1228 C ALA A 77 -8.163 -16.282 27.667 1.00 61.21 C ATOM 1229 O ALA A 77 -7.088 -15.891 28.121 1.00 11.43 O ATOM 1230 CB ALA A 77 -10.045 -14.718 27.070 1.00 24.34 C ATOM 0 H ALA A 77 -10.387 -16.317 25.408 1.00 75.21 H new ATOM 0 HA ALA A 77 -8.089 -14.872 26.139 1.00 4.13 H new ATOM 0 HB1 ALA A 77 -9.709 -14.045 27.859 1.00 24.34 H new ATOM 0 HB2 ALA A 77 -10.475 -14.136 26.255 1.00 24.34 H new ATOM 0 HB3 ALA A 77 -10.799 -15.396 27.469 1.00 24.34 H new ATOM 1236 N MET A 78 -8.745 -17.430 28.093 1.00 72.11 N ATOM 1237 CA MET A 78 -8.137 -18.328 29.059 1.00 72.24 C ATOM 1238 C MET A 78 -6.835 -18.963 28.583 1.00 42.31 C ATOM 1239 O MET A 78 -5.892 -19.102 29.361 1.00 2.11 O ATOM 1240 CB MET A 78 -9.138 -19.403 29.552 1.00 43.41 C ATOM 1241 CG MET A 78 -10.244 -18.805 30.454 1.00 71.22 C ATOM 1242 SD MET A 78 -11.345 -20.050 31.207 1.00 41.40 S ATOM 1243 CE MET A 78 -12.279 -20.549 29.734 1.00 33.22 C ATOM 0 H MET A 78 -9.657 -17.745 27.763 1.00 72.11 H new ATOM 0 HA MET A 78 -7.866 -17.696 29.905 1.00 72.24 H new ATOM 0 HB2 MET A 78 -9.597 -19.890 28.692 1.00 43.41 H new ATOM 0 HB3 MET A 78 -8.599 -20.173 30.104 1.00 43.41 H new ATOM 0 HG2 MET A 78 -9.775 -18.223 31.247 1.00 71.22 H new ATOM 0 HG3 MET A 78 -10.845 -18.114 29.864 1.00 71.22 H new ATOM 0 HE1 MET A 78 -12.970 -21.350 29.996 1.00 33.22 H new ATOM 0 HE2 MET A 78 -12.840 -19.696 29.353 1.00 33.22 H new ATOM 0 HE3 MET A 78 -11.589 -20.901 28.967 1.00 33.22 H new ATOM 1253 N LYS A 79 -6.710 -19.305 27.275 1.00 5.12 N ATOM 1254 CA LYS A 79 -5.462 -19.777 26.675 1.00 25.10 C ATOM 1255 C LYS A 79 -4.340 -18.738 26.762 1.00 22.44 C ATOM 1256 O LYS A 79 -3.161 -19.083 26.822 1.00 5.20 O ATOM 1257 CB LYS A 79 -5.654 -20.162 25.181 1.00 35.31 C ATOM 1258 CG LYS A 79 -6.513 -21.418 24.940 1.00 11.10 C ATOM 1259 CD LYS A 79 -5.786 -22.731 25.276 1.00 43.21 C ATOM 1260 CE LYS A 79 -6.667 -23.966 25.087 1.00 0.14 C ATOM 1261 NZ LYS A 79 -5.894 -25.181 25.410 1.00 21.30 N ATOM 0 H LYS A 79 -7.485 -19.256 26.613 1.00 5.12 H new ATOM 0 HA LYS A 79 -5.177 -20.657 27.252 1.00 25.10 H new ATOM 0 HB2 LYS A 79 -6.112 -19.321 24.660 1.00 35.31 H new ATOM 0 HB3 LYS A 79 -4.673 -20.319 24.732 1.00 35.31 H new ATOM 0 HG2 LYS A 79 -7.420 -21.350 25.541 1.00 11.10 H new ATOM 0 HG3 LYS A 79 -6.824 -21.441 23.896 1.00 11.10 H new ATOM 0 HD2 LYS A 79 -4.902 -22.822 24.645 1.00 43.21 H new ATOM 0 HD3 LYS A 79 -5.439 -22.694 26.308 1.00 43.21 H new ATOM 0 HE2 LYS A 79 -7.545 -23.900 25.729 1.00 0.14 H new ATOM 0 HE3 LYS A 79 -7.027 -24.014 24.059 1.00 0.14 H new ATOM 0 HZ1 LYS A 79 -6.495 -26.020 25.281 1.00 21.30 H new ATOM 0 HZ2 LYS A 79 -5.069 -25.246 24.780 1.00 21.30 H new ATOM 0 HZ3 LYS A 79 -5.572 -25.135 26.398 1.00 21.30 H new ATOM 1275 N HIS A 80 -4.697 -17.436 26.803 1.00 30.30 N ATOM 1276 CA HIS A 80 -3.787 -16.313 26.930 1.00 64.25 C ATOM 1277 C HIS A 80 -3.573 -15.834 28.349 1.00 64.41 C ATOM 1278 O HIS A 80 -2.988 -14.776 28.572 1.00 65.20 O ATOM 1279 CB HIS A 80 -4.253 -15.159 26.024 1.00 34.51 C ATOM 1280 CG HIS A 80 -3.996 -15.516 24.585 1.00 60.45 C ATOM 1281 ND1 HIS A 80 -2.735 -15.442 24.057 1.00 14.53 N ATOM 1282 CD2 HIS A 80 -4.744 -16.218 23.708 1.00 22.43 C ATOM 1283 CE1 HIS A 80 -2.719 -16.080 22.900 1.00 24.04 C ATOM 1284 NE2 HIS A 80 -3.922 -16.568 22.671 1.00 13.35 N ATOM 0 H HIS A 80 -5.672 -17.143 26.745 1.00 30.30 H new ATOM 0 HA HIS A 80 -2.811 -16.675 26.606 1.00 64.25 H new ATOM 0 HB2 HIS A 80 -5.315 -14.967 26.178 1.00 34.51 H new ATOM 0 HB3 HIS A 80 -3.723 -14.242 26.283 1.00 34.51 H new ATOM 0 HD2 HIS A 80 -5.792 -16.458 23.806 1.00 22.43 H new ATOM 0 HE1 HIS A 80 -1.863 -16.184 22.250 1.00 24.04 H new ATOM 0 HE2 HIS A 80 -4.195 -17.116 21.855 1.00 13.35 H new ATOM 1293 N GLY A 81 -3.990 -16.625 29.362 1.00 34.11 N ATOM 1294 CA GLY A 81 -3.594 -16.383 30.742 1.00 11.22 C ATOM 1295 C GLY A 81 -4.576 -15.578 31.534 1.00 0.12 C ATOM 1296 O GLY A 81 -4.362 -15.338 32.719 1.00 4.31 O ATOM 0 H GLY A 81 -4.600 -17.433 29.237 1.00 34.11 H new ATOM 0 HA2 GLY A 81 -3.445 -17.342 31.238 1.00 11.22 H new ATOM 0 HA3 GLY A 81 -2.633 -15.869 30.747 1.00 11.22 H new ATOM 1300 N ALA A 82 -5.708 -15.168 30.927 1.00 70.20 N ATOM 1301 CA ALA A 82 -6.845 -14.696 31.701 1.00 61.04 C ATOM 1302 C ALA A 82 -7.469 -15.829 32.525 1.00 12.22 C ATOM 1303 O ALA A 82 -7.558 -16.971 32.081 1.00 73.14 O ATOM 1304 CB ALA A 82 -7.928 -14.094 30.781 1.00 50.32 C ATOM 0 H ALA A 82 -5.847 -15.158 29.917 1.00 70.20 H new ATOM 0 HA ALA A 82 -6.472 -13.926 32.377 1.00 61.04 H new ATOM 0 HB1 ALA A 82 -8.767 -13.749 31.385 1.00 50.32 H new ATOM 0 HB2 ALA A 82 -7.509 -13.254 30.227 1.00 50.32 H new ATOM 0 HB3 ALA A 82 -8.274 -14.854 30.080 1.00 50.32 H new ATOM 1310 N ASP A 83 -7.945 -15.553 33.762 1.00 4.01 N ATOM 1311 CA ASP A 83 -8.776 -16.511 34.476 1.00 44.31 C ATOM 1312 C ASP A 83 -10.204 -16.370 33.970 1.00 20.12 C ATOM 1313 O ASP A 83 -10.527 -15.437 33.240 1.00 33.01 O ATOM 1314 CB ASP A 83 -8.751 -16.305 36.011 1.00 15.54 C ATOM 1315 CG ASP A 83 -7.345 -16.531 36.560 1.00 41.24 C ATOM 1316 OD1 ASP A 83 -6.801 -15.582 37.179 1.00 25.13 O ATOM 1317 OD2 ASP A 83 -6.836 -17.670 36.404 1.00 71.22 O ATOM 0 H ASP A 83 -7.764 -14.686 34.267 1.00 4.01 H new ATOM 0 HA ASP A 83 -8.379 -17.508 34.287 1.00 44.31 H new ATOM 0 HB2 ASP A 83 -9.084 -15.296 36.253 1.00 15.54 H new ATOM 0 HB3 ASP A 83 -9.448 -16.994 36.487 1.00 15.54 H new ATOM 1322 N GLU A 84 -11.115 -17.292 34.352 1.00 72.12 N ATOM 1323 CA GLU A 84 -12.470 -17.326 33.810 1.00 22.32 C ATOM 1324 C GLU A 84 -13.277 -16.091 34.178 1.00 54.51 C ATOM 1325 O GLU A 84 -14.058 -15.569 33.386 1.00 42.45 O ATOM 1326 CB GLU A 84 -13.225 -18.625 34.221 1.00 35.14 C ATOM 1327 CG GLU A 84 -13.496 -18.804 35.733 1.00 14.53 C ATOM 1328 CD GLU A 84 -14.184 -20.136 36.046 1.00 23.41 C ATOM 1329 OE1 GLU A 84 -15.335 -20.098 36.551 1.00 21.12 O ATOM 1330 OE2 GLU A 84 -13.549 -21.193 35.798 1.00 21.51 O ATOM 0 H GLU A 84 -10.924 -18.022 35.038 1.00 72.12 H new ATOM 0 HA GLU A 84 -12.362 -17.328 32.725 1.00 22.32 H new ATOM 0 HB2 GLU A 84 -14.180 -18.648 33.696 1.00 35.14 H new ATOM 0 HB3 GLU A 84 -12.649 -19.482 33.872 1.00 35.14 H new ATOM 0 HG2 GLU A 84 -12.554 -18.747 36.278 1.00 14.53 H new ATOM 0 HG3 GLU A 84 -14.119 -17.983 36.088 1.00 14.53 H new ATOM 1337 N ALA A 85 -13.027 -15.572 35.398 1.00 43.35 N ATOM 1338 CA ALA A 85 -13.556 -14.338 35.930 1.00 11.11 C ATOM 1339 C ALA A 85 -13.053 -13.116 35.178 1.00 1.41 C ATOM 1340 O ALA A 85 -13.805 -12.204 34.844 1.00 10.42 O ATOM 1341 CB ALA A 85 -13.178 -14.242 37.420 1.00 62.54 C ATOM 0 H ALA A 85 -12.413 -16.044 36.062 1.00 43.35 H new ATOM 0 HA ALA A 85 -14.639 -14.351 35.810 1.00 11.11 H new ATOM 0 HB1 ALA A 85 -13.571 -13.314 37.836 1.00 62.54 H new ATOM 0 HB2 ALA A 85 -13.602 -15.090 37.958 1.00 62.54 H new ATOM 0 HB3 ALA A 85 -12.093 -14.254 37.522 1.00 62.54 H new ATOM 1347 N MET A 86 -11.740 -13.084 34.871 1.00 25.24 N ATOM 1348 CA MET A 86 -11.102 -12.035 34.103 1.00 33.24 C ATOM 1349 C MET A 86 -11.551 -12.028 32.657 1.00 64.04 C ATOM 1350 O MET A 86 -11.752 -10.975 32.055 1.00 43.13 O ATOM 1351 CB MET A 86 -9.570 -12.152 34.131 1.00 63.05 C ATOM 1352 CG MET A 86 -8.948 -11.978 35.528 1.00 5.01 C ATOM 1353 SD MET A 86 -7.174 -12.364 35.560 1.00 62.53 S ATOM 1354 CE MET A 86 -6.964 -11.998 37.324 1.00 22.34 C ATOM 0 H MET A 86 -11.091 -13.814 35.166 1.00 25.24 H new ATOM 0 HA MET A 86 -11.406 -11.103 34.579 1.00 33.24 H new ATOM 0 HB2 MET A 86 -9.284 -13.128 33.738 1.00 63.05 H new ATOM 0 HB3 MET A 86 -9.148 -11.402 33.462 1.00 63.05 H new ATOM 0 HG2 MET A 86 -9.098 -10.952 35.862 1.00 5.01 H new ATOM 0 HG3 MET A 86 -9.469 -12.623 36.236 1.00 5.01 H new ATOM 0 HE1 MET A 86 -5.925 -12.162 37.608 1.00 22.34 H new ATOM 0 HE2 MET A 86 -7.233 -10.959 37.515 1.00 22.34 H new ATOM 0 HE3 MET A 86 -7.608 -12.653 37.911 1.00 22.34 H new ATOM 1364 N ALA A 87 -11.715 -13.228 32.066 1.00 54.15 N ATOM 1365 CA ALA A 87 -12.206 -13.397 30.718 1.00 33.04 C ATOM 1366 C ALA A 87 -13.614 -12.842 30.525 1.00 41.34 C ATOM 1367 O ALA A 87 -13.880 -12.059 29.615 1.00 4.14 O ATOM 1368 CB ALA A 87 -12.188 -14.898 30.362 1.00 54.04 C ATOM 0 H ALA A 87 -11.502 -14.109 32.533 1.00 54.15 H new ATOM 0 HA ALA A 87 -11.550 -12.832 30.056 1.00 33.04 H new ATOM 0 HB1 ALA A 87 -12.557 -15.035 29.346 1.00 54.04 H new ATOM 0 HB2 ALA A 87 -11.168 -15.276 30.432 1.00 54.04 H new ATOM 0 HB3 ALA A 87 -12.826 -15.444 31.057 1.00 54.04 H new ATOM 1374 N LYS A 88 -14.545 -13.173 31.449 1.00 24.32 N ATOM 1375 CA LYS A 88 -15.898 -12.642 31.428 1.00 4.50 C ATOM 1376 C LYS A 88 -15.927 -11.165 31.769 1.00 70.02 C ATOM 1377 O LYS A 88 -16.766 -10.426 31.264 1.00 34.10 O ATOM 1378 CB LYS A 88 -16.890 -13.427 32.338 1.00 23.31 C ATOM 1379 CG LYS A 88 -16.658 -13.347 33.855 1.00 71.02 C ATOM 1380 CD LYS A 88 -17.690 -14.155 34.661 1.00 70.45 C ATOM 1381 CE LYS A 88 -17.561 -13.986 36.175 1.00 31.30 C ATOM 1382 NZ LYS A 88 -18.662 -14.701 36.850 1.00 22.12 N ATOM 0 H LYS A 88 -14.365 -13.815 32.221 1.00 24.32 H new ATOM 0 HA LYS A 88 -16.241 -12.773 30.402 1.00 4.50 H new ATOM 0 HB2 LYS A 88 -17.898 -13.067 32.130 1.00 23.31 H new ATOM 0 HB3 LYS A 88 -16.860 -14.477 32.046 1.00 23.31 H new ATOM 0 HG2 LYS A 88 -15.657 -13.713 34.084 1.00 71.02 H new ATOM 0 HG3 LYS A 88 -16.695 -12.304 34.169 1.00 71.02 H new ATOM 0 HD2 LYS A 88 -18.692 -13.854 34.355 1.00 70.45 H new ATOM 0 HD3 LYS A 88 -17.585 -15.211 34.413 1.00 70.45 H new ATOM 0 HE2 LYS A 88 -16.600 -14.374 36.514 1.00 31.30 H new ATOM 0 HE3 LYS A 88 -17.587 -12.928 36.436 1.00 31.30 H new ATOM 0 HZ1 LYS A 88 -18.572 -14.584 37.880 1.00 22.12 H new ATOM 0 HZ2 LYS A 88 -19.573 -14.311 36.536 1.00 22.12 H new ATOM 0 HZ3 LYS A 88 -18.617 -15.712 36.611 1.00 22.12 H new ATOM 1396 N GLN A 89 -14.961 -10.679 32.584 1.00 23.20 N ATOM 1397 CA GLN A 89 -14.753 -9.274 32.855 1.00 43.11 C ATOM 1398 C GLN A 89 -14.424 -8.432 31.646 1.00 71.33 C ATOM 1399 O GLN A 89 -15.007 -7.360 31.505 1.00 33.44 O ATOM 1400 CB GLN A 89 -13.688 -9.050 33.955 1.00 1.12 C ATOM 1401 CG GLN A 89 -13.372 -7.565 34.227 1.00 41.14 C ATOM 1402 CD GLN A 89 -12.653 -7.343 35.556 1.00 1.11 C ATOM 1403 OE1 GLN A 89 -13.118 -6.606 36.427 1.00 3.24 O ATOM 1404 NE2 GLN A 89 -11.477 -7.995 35.718 1.00 53.24 N ATOM 0 H GLN A 89 -14.300 -11.283 33.073 1.00 23.20 H new ATOM 0 HA GLN A 89 -15.725 -8.931 33.209 1.00 43.11 H new ATOM 0 HB2 GLN A 89 -14.032 -9.513 34.880 1.00 1.12 H new ATOM 0 HB3 GLN A 89 -12.769 -9.560 33.666 1.00 1.12 H new ATOM 0 HG2 GLN A 89 -12.755 -7.176 33.417 1.00 41.14 H new ATOM 0 HG3 GLN A 89 -14.301 -6.995 34.223 1.00 41.14 H new ATOM 0 HE21 GLN A 89 -11.122 -8.598 34.976 1.00 53.24 H new ATOM 0 HE22 GLN A 89 -10.947 -7.883 36.582 1.00 53.24 H new ATOM 1413 N LEU A 90 -13.549 -8.860 30.703 1.00 62.05 N ATOM 1414 CA LEU A 90 -13.292 -8.092 29.518 1.00 4.33 C ATOM 1415 C LEU A 90 -14.531 -7.946 28.642 1.00 14.44 C ATOM 1416 O LEU A 90 -14.858 -6.861 28.162 1.00 10.51 O ATOM 1417 CB LEU A 90 -12.134 -8.746 28.743 1.00 21.03 C ATOM 1418 CG LEU A 90 -10.720 -8.715 29.383 1.00 24.40 C ATOM 1419 CD1 LEU A 90 -9.685 -9.356 28.433 1.00 62.53 C ATOM 1420 CD2 LEU A 90 -10.222 -7.328 29.825 1.00 13.33 C ATOM 0 H LEU A 90 -13.025 -9.733 30.764 1.00 62.05 H new ATOM 0 HA LEU A 90 -13.012 -7.081 29.813 1.00 4.33 H new ATOM 0 HB2 LEU A 90 -12.398 -9.789 28.566 1.00 21.03 H new ATOM 0 HB3 LEU A 90 -12.070 -8.263 27.768 1.00 21.03 H new ATOM 0 HG LEU A 90 -10.823 -9.294 30.301 1.00 24.40 H new ATOM 0 HD11 LEU A 90 -8.699 -9.326 28.896 1.00 62.53 H new ATOM 0 HD12 LEU A 90 -9.963 -10.392 28.237 1.00 62.53 H new ATOM 0 HD13 LEU A 90 -9.662 -8.803 27.494 1.00 62.53 H new ATOM 0 HD21 LEU A 90 -9.226 -7.420 30.258 1.00 13.33 H new ATOM 0 HD22 LEU A 90 -10.183 -6.664 28.962 1.00 13.33 H new ATOM 0 HD23 LEU A 90 -10.904 -6.916 30.569 1.00 13.33 H new ATOM 1432 N LEU A 91 -15.305 -9.035 28.482 1.00 23.22 N ATOM 1433 CA LEU A 91 -16.583 -9.011 27.796 1.00 61.54 C ATOM 1434 C LEU A 91 -17.607 -8.126 28.534 1.00 12.13 C ATOM 1435 O LEU A 91 -18.370 -7.380 27.919 1.00 74.12 O ATOM 1436 CB LEU A 91 -17.064 -10.476 27.614 1.00 64.12 C ATOM 1437 CG LEU A 91 -16.187 -11.300 26.632 1.00 23.13 C ATOM 1438 CD1 LEU A 91 -16.103 -12.778 27.025 1.00 73.41 C ATOM 1439 CD2 LEU A 91 -16.719 -11.231 25.200 1.00 52.11 C ATOM 0 H LEU A 91 -15.047 -9.957 28.833 1.00 23.22 H new ATOM 0 HA LEU A 91 -16.473 -8.556 26.812 1.00 61.54 H new ATOM 0 HB2 LEU A 91 -17.071 -10.971 28.585 1.00 64.12 H new ATOM 0 HB3 LEU A 91 -18.092 -10.470 27.252 1.00 64.12 H new ATOM 0 HG LEU A 91 -15.196 -10.850 26.687 1.00 23.13 H new ATOM 0 HD11 LEU A 91 -15.479 -13.310 26.307 1.00 73.41 H new ATOM 0 HD12 LEU A 91 -15.667 -12.866 28.020 1.00 73.41 H new ATOM 0 HD13 LEU A 91 -17.103 -13.211 27.028 1.00 73.41 H new ATOM 0 HD21 LEU A 91 -16.078 -11.820 24.545 1.00 52.11 H new ATOM 0 HD22 LEU A 91 -17.733 -11.629 25.169 1.00 52.11 H new ATOM 0 HD23 LEU A 91 -16.726 -10.194 24.864 1.00 52.11 H new ATOM 1451 N ASP A 92 -17.628 -8.167 29.888 1.00 63.43 N ATOM 1452 CA ASP A 92 -18.470 -7.343 30.738 1.00 20.15 C ATOM 1453 C ASP A 92 -18.146 -5.855 30.720 1.00 73.04 C ATOM 1454 O ASP A 92 -19.055 -5.034 30.659 1.00 61.10 O ATOM 1455 CB ASP A 92 -18.451 -7.939 32.155 1.00 31.30 C ATOM 1456 CG ASP A 92 -19.434 -7.340 33.154 1.00 54.33 C ATOM 1457 OD1 ASP A 92 -20.662 -7.549 32.955 1.00 1.25 O ATOM 1458 OD2 ASP A 92 -18.969 -6.702 34.132 1.00 11.21 O ATOM 0 H ASP A 92 -17.033 -8.802 30.420 1.00 63.43 H new ATOM 0 HA ASP A 92 -19.480 -7.371 30.330 1.00 20.15 H new ATOM 0 HB2 ASP A 92 -18.650 -9.008 32.079 1.00 31.30 H new ATOM 0 HB3 ASP A 92 -17.444 -7.830 32.558 1.00 31.30 H new ATOM 1463 N ILE A 93 -16.846 -5.471 30.724 1.00 51.03 N ATOM 1464 CA ILE A 93 -16.388 -4.083 30.562 1.00 35.21 C ATOM 1465 C ILE A 93 -16.884 -3.550 29.244 1.00 70.15 C ATOM 1466 O ILE A 93 -17.414 -2.444 29.163 1.00 5.45 O ATOM 1467 CB ILE A 93 -14.867 -3.922 30.506 1.00 41.21 C ATOM 1468 CG1 ILE A 93 -14.156 -4.206 31.846 1.00 21.13 C ATOM 1469 CG2 ILE A 93 -14.467 -2.514 30.001 1.00 34.51 C ATOM 1470 CD1 ILE A 93 -12.629 -4.388 31.720 1.00 34.22 C ATOM 0 H ILE A 93 -16.079 -6.133 30.842 1.00 51.03 H new ATOM 0 HA ILE A 93 -16.772 -3.555 31.435 1.00 35.21 H new ATOM 0 HB ILE A 93 -14.531 -4.680 29.799 1.00 41.21 H new ATOM 0 HG12 ILE A 93 -14.358 -3.385 32.534 1.00 21.13 H new ATOM 0 HG13 ILE A 93 -14.583 -5.106 32.289 1.00 21.13 H new ATOM 0 HG21 ILE A 93 -13.380 -2.433 29.973 1.00 34.51 H new ATOM 0 HG22 ILE A 93 -14.868 -2.359 28.999 1.00 34.51 H new ATOM 0 HG23 ILE A 93 -14.870 -1.758 30.674 1.00 34.51 H new ATOM 0 HD11 ILE A 93 -12.203 -4.584 32.704 1.00 34.22 H new ATOM 0 HD12 ILE A 93 -12.416 -5.228 31.059 1.00 34.22 H new ATOM 0 HD13 ILE A 93 -12.187 -3.481 31.308 1.00 34.22 H new ATOM 1482 N LYS A 94 -16.754 -4.365 28.178 1.00 75.34 N ATOM 1483 CA LYS A 94 -17.190 -4.012 26.854 1.00 12.35 C ATOM 1484 C LYS A 94 -18.651 -3.697 26.833 1.00 11.54 C ATOM 1485 O LYS A 94 -19.046 -2.622 26.401 1.00 1.34 O ATOM 1486 CB LYS A 94 -16.898 -5.203 25.892 1.00 73.24 C ATOM 1487 CG LYS A 94 -17.952 -5.419 24.790 1.00 10.32 C ATOM 1488 CD LYS A 94 -17.528 -6.248 23.574 1.00 32.32 C ATOM 1489 CE LYS A 94 -18.258 -5.695 22.354 1.00 63.41 C ATOM 1490 NZ LYS A 94 -17.741 -6.260 21.098 1.00 45.41 N ATOM 0 H LYS A 94 -16.335 -5.293 28.236 1.00 75.34 H new ATOM 0 HA LYS A 94 -16.648 -3.123 26.532 1.00 12.35 H new ATOM 0 HB2 LYS A 94 -15.929 -5.041 25.421 1.00 73.24 H new ATOM 0 HB3 LYS A 94 -16.817 -6.116 26.482 1.00 73.24 H new ATOM 0 HG2 LYS A 94 -18.820 -5.899 25.241 1.00 10.32 H new ATOM 0 HG3 LYS A 94 -18.277 -4.441 24.436 1.00 10.32 H new ATOM 0 HD2 LYS A 94 -16.449 -6.192 23.431 1.00 32.32 H new ATOM 0 HD3 LYS A 94 -17.776 -7.299 23.723 1.00 32.32 H new ATOM 0 HE2 LYS A 94 -19.322 -5.914 22.439 1.00 63.41 H new ATOM 0 HE3 LYS A 94 -18.156 -4.610 22.332 1.00 63.41 H new ATOM 0 HZ1 LYS A 94 -17.943 -5.607 20.314 1.00 45.41 H new ATOM 0 HZ2 LYS A 94 -16.713 -6.398 21.177 1.00 45.41 H new ATOM 0 HZ3 LYS A 94 -18.200 -7.175 20.914 1.00 45.41 H new ATOM 1504 N HIS A 95 -19.511 -4.566 27.383 1.00 42.03 N ATOM 1505 CA HIS A 95 -20.927 -4.351 27.153 1.00 45.30 C ATOM 1506 C HIS A 95 -21.403 -3.209 28.006 1.00 42.11 C ATOM 1507 O HIS A 95 -22.342 -2.490 27.679 1.00 52.32 O ATOM 1508 CB HIS A 95 -21.761 -5.580 27.494 1.00 14.41 C ATOM 1509 CG HIS A 95 -22.131 -5.891 28.886 1.00 13.42 C ATOM 1510 ND1 HIS A 95 -23.132 -5.350 29.639 1.00 62.22 N ATOM 1511 CD2 HIS A 95 -21.534 -6.826 29.613 1.00 73.41 C ATOM 1512 CE1 HIS A 95 -23.112 -5.929 30.825 1.00 71.05 C ATOM 1513 NE2 HIS A 95 -22.139 -6.826 30.837 1.00 55.14 N ATOM 0 H HIS A 95 -19.264 -5.374 27.955 1.00 42.03 H new ATOM 0 HA HIS A 95 -21.052 -4.134 26.092 1.00 45.30 H new ATOM 0 HB2 HIS A 95 -22.689 -5.501 26.928 1.00 14.41 H new ATOM 0 HB3 HIS A 95 -21.224 -6.446 27.107 1.00 14.41 H new ATOM 0 HD2 HIS A 95 -20.723 -7.466 29.297 1.00 73.41 H new ATOM 0 HE1 HIS A 95 -23.777 -5.708 31.647 1.00 71.05 H new ATOM 0 HE2 HIS A 95 -21.884 -7.418 31.628 1.00 55.14 H new ATOM 1522 N SER A 96 -20.694 -3.047 29.142 1.00 63.04 N ATOM 1523 CA SER A 96 -20.932 -1.967 30.099 1.00 0.02 C ATOM 1524 C SER A 96 -20.615 -0.611 29.491 1.00 52.20 C ATOM 1525 O SER A 96 -21.363 0.357 29.600 1.00 73.04 O ATOM 1526 CB SER A 96 -20.090 -2.159 31.382 1.00 32.22 C ATOM 1527 OG SER A 96 -20.367 -1.183 32.387 1.00 51.34 O ATOM 0 H SER A 96 -19.936 -3.672 29.416 1.00 63.04 H new ATOM 0 HA SER A 96 -21.990 -2.001 30.359 1.00 0.02 H new ATOM 0 HB2 SER A 96 -20.279 -3.153 31.788 1.00 32.22 H new ATOM 0 HB3 SER A 96 -19.032 -2.116 31.124 1.00 32.22 H new ATOM 0 HG SER A 96 -19.808 -1.355 33.173 1.00 51.34 H new ATOM 1533 N CYS A 97 -19.479 -0.539 28.775 1.00 20.31 N ATOM 1534 CA CYS A 97 -19.039 0.622 28.037 1.00 33.23 C ATOM 1535 C CYS A 97 -19.911 0.983 26.861 1.00 31.35 C ATOM 1536 O CYS A 97 -20.079 2.159 26.558 1.00 14.00 O ATOM 1537 CB CYS A 97 -17.565 0.495 27.608 1.00 10.24 C ATOM 1538 SG CYS A 97 -16.355 0.937 28.880 1.00 33.34 S ATOM 0 H CYS A 97 -18.831 -1.323 28.702 1.00 20.31 H new ATOM 0 HA CYS A 97 -19.134 1.451 28.738 1.00 33.23 H new ATOM 0 HB2 CYS A 97 -17.381 -0.533 27.295 1.00 10.24 H new ATOM 0 HB3 CYS A 97 -17.400 1.128 26.736 1.00 10.24 H new ATOM 1543 N GLU A 98 -20.528 -0.009 26.185 1.00 75.42 N ATOM 1544 CA GLU A 98 -21.386 0.187 25.018 1.00 21.24 C ATOM 1545 C GLU A 98 -22.607 1.029 25.333 1.00 12.03 C ATOM 1546 O GLU A 98 -23.192 1.666 24.466 1.00 53.24 O ATOM 1547 CB GLU A 98 -21.840 -1.185 24.464 1.00 24.14 C ATOM 1548 CG GLU A 98 -20.666 -1.985 23.855 1.00 61.23 C ATOM 1549 CD GLU A 98 -20.362 -1.619 22.402 1.00 2.31 C ATOM 1550 OE1 GLU A 98 -20.424 -2.545 21.551 1.00 11.20 O ATOM 1551 OE2 GLU A 98 -20.064 -0.430 22.125 1.00 62.40 O ATOM 0 H GLU A 98 -20.435 -0.990 26.450 1.00 75.42 H new ATOM 0 HA GLU A 98 -20.798 0.722 24.273 1.00 21.24 H new ATOM 0 HB2 GLU A 98 -22.296 -1.766 25.266 1.00 24.14 H new ATOM 0 HB3 GLU A 98 -22.607 -1.033 23.704 1.00 24.14 H new ATOM 0 HG2 GLU A 98 -19.773 -1.818 24.457 1.00 61.23 H new ATOM 0 HG3 GLU A 98 -20.895 -3.049 23.912 1.00 61.23 H new ATOM 1558 N LYS A 99 -23.004 1.029 26.615 1.00 35.32 N ATOM 1559 CA LYS A 99 -24.128 1.751 27.159 1.00 44.02 C ATOM 1560 C LYS A 99 -23.790 3.225 27.278 1.00 3.12 C ATOM 1561 O LYS A 99 -24.631 4.094 27.059 1.00 44.14 O ATOM 1562 CB LYS A 99 -24.431 1.228 28.583 1.00 24.21 C ATOM 1563 CG LYS A 99 -24.801 -0.262 28.651 1.00 3.34 C ATOM 1564 CD LYS A 99 -24.695 -0.814 30.088 1.00 51.33 C ATOM 1565 CE LYS A 99 -25.932 -0.608 30.965 1.00 62.15 C ATOM 1566 NZ LYS A 99 -27.061 -1.420 30.467 1.00 24.11 N ATOM 0 H LYS A 99 -22.511 0.490 27.327 1.00 35.32 H new ATOM 0 HA LYS A 99 -24.984 1.610 26.499 1.00 44.02 H new ATOM 0 HB2 LYS A 99 -23.559 1.402 29.213 1.00 24.21 H new ATOM 0 HB3 LYS A 99 -25.249 1.812 29.004 1.00 24.21 H new ATOM 0 HG2 LYS A 99 -25.817 -0.401 28.282 1.00 3.34 H new ATOM 0 HG3 LYS A 99 -24.143 -0.830 27.994 1.00 3.34 H new ATOM 0 HD2 LYS A 99 -24.483 -1.882 30.034 1.00 51.33 H new ATOM 0 HD3 LYS A 99 -23.842 -0.344 30.577 1.00 51.33 H new ATOM 0 HE2 LYS A 99 -25.705 -0.884 31.995 1.00 62.15 H new ATOM 0 HE3 LYS A 99 -26.209 0.446 30.971 1.00 62.15 H new ATOM 0 HZ1 LYS A 99 -27.814 -1.444 31.184 1.00 24.11 H new ATOM 0 HZ2 LYS A 99 -27.431 -1.000 29.591 1.00 24.11 H new ATOM 0 HZ3 LYS A 99 -26.734 -2.389 30.275 1.00 24.11 H new ATOM 1580 N VAL A 100 -22.537 3.514 27.704 1.00 0.41 N ATOM 1581 CA VAL A 100 -22.136 4.826 28.178 1.00 2.21 C ATOM 1582 C VAL A 100 -21.482 5.633 27.079 1.00 75.02 C ATOM 1583 O VAL A 100 -21.559 6.860 27.064 1.00 64.55 O ATOM 1584 CB VAL A 100 -21.211 4.764 29.397 1.00 44.01 C ATOM 1585 CG1 VAL A 100 -21.951 4.004 30.507 1.00 50.43 C ATOM 1586 CG2 VAL A 100 -19.848 4.121 29.113 1.00 30.34 C ATOM 0 H VAL A 100 -21.784 2.827 27.722 1.00 0.41 H new ATOM 0 HA VAL A 100 -23.055 5.323 28.489 1.00 2.21 H new ATOM 0 HB VAL A 100 -20.980 5.786 29.699 1.00 44.01 H new ATOM 0 HG11 VAL A 100 -21.317 3.943 31.391 1.00 50.43 H new ATOM 0 HG12 VAL A 100 -22.872 4.531 30.757 1.00 50.43 H new ATOM 0 HG13 VAL A 100 -22.191 2.998 30.162 1.00 50.43 H new ATOM 0 HG21 VAL A 100 -19.252 4.115 30.025 1.00 30.34 H new ATOM 0 HG22 VAL A 100 -19.993 3.098 28.767 1.00 30.34 H new ATOM 0 HG23 VAL A 100 -19.329 4.693 28.344 1.00 30.34 H new ATOM 1596 N ILE A 101 -20.828 4.952 26.115 1.00 21.12 N ATOM 1597 CA ILE A 101 -20.266 5.590 24.937 1.00 54.12 C ATOM 1598 C ILE A 101 -21.310 6.035 23.932 1.00 12.40 C ATOM 1599 O ILE A 101 -22.407 5.489 23.831 1.00 22.43 O ATOM 1600 CB ILE A 101 -19.249 4.737 24.197 1.00 40.43 C ATOM 1601 CG1 ILE A 101 -19.819 3.400 23.665 1.00 51.54 C ATOM 1602 CG2 ILE A 101 -18.023 4.513 25.101 1.00 72.51 C ATOM 1603 CD1 ILE A 101 -19.438 3.141 22.210 1.00 3.34 C ATOM 0 H ILE A 101 -20.682 3.943 26.145 1.00 21.12 H new ATOM 0 HA ILE A 101 -19.764 6.463 25.356 1.00 54.12 H new ATOM 0 HB ILE A 101 -18.954 5.286 23.303 1.00 40.43 H new ATOM 0 HG12 ILE A 101 -19.454 2.581 24.284 1.00 51.54 H new ATOM 0 HG13 ILE A 101 -20.905 3.409 23.757 1.00 51.54 H new ATOM 0 HG21 ILE A 101 -17.290 3.901 24.575 1.00 72.51 H new ATOM 0 HG22 ILE A 101 -17.578 5.475 25.355 1.00 72.51 H new ATOM 0 HG23 ILE A 101 -18.332 4.004 26.014 1.00 72.51 H new ATOM 0 HD11 ILE A 101 -19.863 2.191 21.886 1.00 3.34 H new ATOM 0 HD12 ILE A 101 -19.826 3.944 21.584 1.00 3.34 H new ATOM 0 HD13 ILE A 101 -18.352 3.103 22.119 1.00 3.34 H new ATOM 1615 N THR A 102 -20.963 7.052 23.109 1.00 73.13 N ATOM 1616 CA THR A 102 -21.726 7.356 21.909 1.00 20.04 C ATOM 1617 C THR A 102 -21.618 6.250 20.883 1.00 51.43 C ATOM 1618 O THR A 102 -20.532 5.905 20.414 1.00 23.30 O ATOM 1619 CB THR A 102 -21.348 8.681 21.252 1.00 32.34 C ATOM 1620 OG1 THR A 102 -21.607 9.757 22.141 1.00 55.31 O ATOM 1621 CG2 THR A 102 -22.106 8.930 19.930 1.00 61.41 C ATOM 0 H THR A 102 -20.162 7.664 23.266 1.00 73.13 H new ATOM 0 HA THR A 102 -22.756 7.444 22.255 1.00 20.04 H new ATOM 0 HB THR A 102 -20.285 8.622 21.020 1.00 32.34 H new ATOM 0 HG1 THR A 102 -21.360 10.603 21.712 1.00 55.31 H new ATOM 0 HG21 THR A 102 -21.797 9.886 19.508 1.00 61.41 H new ATOM 0 HG22 THR A 102 -21.878 8.131 19.224 1.00 61.41 H new ATOM 0 HG23 THR A 102 -23.179 8.948 20.123 1.00 61.41 H new ATOM 1629 N ILE A 103 -22.797 5.730 20.487 1.00 43.52 N ATOM 1630 CA ILE A 103 -23.046 4.775 19.457 1.00 53.34 C ATOM 1631 C ILE A 103 -23.606 5.591 18.347 1.00 32.43 C ATOM 1632 O ILE A 103 -24.501 6.414 18.541 1.00 64.45 O ATOM 1633 CB ILE A 103 -24.060 3.693 19.789 1.00 2.01 C ATOM 1634 CG1 ILE A 103 -23.573 2.861 20.995 1.00 23.32 C ATOM 1635 CG2 ILE A 103 -24.409 2.842 18.532 1.00 31.35 C ATOM 1636 CD1 ILE A 103 -24.528 1.724 21.333 1.00 12.55 C ATOM 0 H ILE A 103 -23.665 6.014 20.942 1.00 43.52 H new ATOM 0 HA ILE A 103 -22.121 4.236 19.250 1.00 53.34 H new ATOM 0 HB ILE A 103 -25.000 4.155 20.092 1.00 2.01 H new ATOM 0 HG12 ILE A 103 -22.586 2.452 20.777 1.00 23.32 H new ATOM 0 HG13 ILE A 103 -23.464 3.512 21.863 1.00 23.32 H new ATOM 0 HG21 ILE A 103 -25.137 2.076 18.801 1.00 31.35 H new ATOM 0 HG22 ILE A 103 -24.830 3.487 17.761 1.00 31.35 H new ATOM 0 HG23 ILE A 103 -23.505 2.366 18.153 1.00 31.35 H new ATOM 0 HD11 ILE A 103 -24.143 1.167 22.188 1.00 12.55 H new ATOM 0 HD12 ILE A 103 -25.508 2.133 21.578 1.00 12.55 H new ATOM 0 HD13 ILE A 103 -24.617 1.057 20.476 1.00 12.55 H new ATOM 1648 N VAL A 104 -23.074 5.375 17.147 1.00 24.12 N ATOM 1649 CA VAL A 104 -23.555 6.055 15.988 1.00 53.43 C ATOM 1650 C VAL A 104 -24.201 5.004 15.119 1.00 55.43 C ATOM 1651 O VAL A 104 -23.606 3.983 14.783 1.00 54.02 O ATOM 1652 CB VAL A 104 -22.456 6.664 15.198 1.00 63.45 C ATOM 1653 CG1 VAL A 104 -22.953 7.501 14.061 1.00 1.12 C ATOM 1654 CG2 VAL A 104 -21.445 7.452 16.015 1.00 75.23 C ATOM 0 H VAL A 104 -22.306 4.727 16.970 1.00 24.12 H new ATOM 0 HA VAL A 104 -24.233 6.851 16.297 1.00 53.43 H new ATOM 0 HB VAL A 104 -21.928 5.799 14.796 1.00 63.45 H new ATOM 0 HG11 VAL A 104 -22.105 7.920 13.520 1.00 1.12 H new ATOM 0 HG12 VAL A 104 -23.545 6.883 13.386 1.00 1.12 H new ATOM 0 HG13 VAL A 104 -23.572 8.310 14.448 1.00 1.12 H new ATOM 0 HG21 VAL A 104 -20.680 7.859 15.353 1.00 75.23 H new ATOM 0 HG22 VAL A 104 -21.951 8.268 16.531 1.00 75.23 H new ATOM 0 HG23 VAL A 104 -20.978 6.794 16.748 1.00 75.23 H new ATOM 1664 N ALA A 105 -25.446 5.260 14.707 1.00 31.34 N ATOM 1665 CA ALA A 105 -26.153 4.469 13.726 1.00 15.21 C ATOM 1666 C ALA A 105 -25.531 4.489 12.336 1.00 64.11 C ATOM 1667 O ALA A 105 -25.386 3.461 11.681 1.00 3.45 O ATOM 1668 CB ALA A 105 -27.610 4.946 13.622 1.00 11.20 C ATOM 0 H ALA A 105 -25.993 6.044 15.062 1.00 31.34 H new ATOM 0 HA ALA A 105 -26.093 3.440 14.082 1.00 15.21 H new ATOM 0 HB1 ALA A 105 -28.137 4.346 12.881 1.00 11.20 H new ATOM 0 HB2 ALA A 105 -28.098 4.838 14.591 1.00 11.20 H new ATOM 0 HB3 ALA A 105 -27.629 5.993 13.321 1.00 11.20 H new ATOM 1674 N ASP A 106 -25.138 5.693 11.871 1.00 43.44 N ATOM 1675 CA ASP A 106 -24.471 5.943 10.612 1.00 32.23 C ATOM 1676 C ASP A 106 -23.091 5.296 10.513 1.00 43.14 C ATOM 1677 O ASP A 106 -22.684 4.841 9.448 1.00 20.22 O ATOM 1678 CB ASP A 106 -24.404 7.484 10.377 1.00 12.14 C ATOM 1679 CG ASP A 106 -23.885 7.865 8.989 1.00 4.15 C ATOM 1680 OD1 ASP A 106 -22.792 8.484 8.928 1.00 2.11 O ATOM 1681 OD2 ASP A 106 -24.594 7.562 7.996 1.00 2.45 O ATOM 0 H ASP A 106 -25.293 6.549 12.403 1.00 43.44 H new ATOM 0 HA ASP A 106 -25.056 5.471 9.822 1.00 32.23 H new ATOM 0 HB2 ASP A 106 -25.399 7.909 10.514 1.00 12.14 H new ATOM 0 HB3 ASP A 106 -23.759 7.932 11.133 1.00 12.14 H new ATOM 1686 N ASP A 107 -22.318 5.327 11.615 1.00 22.30 N ATOM 1687 CA ASP A 107 -20.887 5.136 11.573 1.00 52.32 C ATOM 1688 C ASP A 107 -20.489 4.088 12.611 1.00 44.34 C ATOM 1689 O ASP A 107 -20.313 4.469 13.768 1.00 30.23 O ATOM 1690 CB ASP A 107 -20.177 6.484 11.882 1.00 54.24 C ATOM 1691 CG ASP A 107 -18.679 6.415 11.632 1.00 72.22 C ATOM 1692 OD1 ASP A 107 -18.283 6.200 10.459 1.00 55.11 O ATOM 1693 OD2 ASP A 107 -17.919 6.524 12.630 1.00 12.10 O ATOM 0 H ASP A 107 -22.685 5.487 12.553 1.00 22.30 H new ATOM 0 HA ASP A 107 -20.588 4.794 10.582 1.00 52.32 H new ATOM 0 HB2 ASP A 107 -20.611 7.271 11.265 1.00 54.24 H new ATOM 0 HB3 ASP A 107 -20.358 6.758 12.921 1.00 54.24 H new ATOM 1698 N PRO A 108 -20.265 2.812 12.326 1.00 33.02 N ATOM 1699 CA PRO A 108 -19.859 1.843 13.344 1.00 5.22 C ATOM 1700 C PRO A 108 -18.455 2.096 13.871 1.00 72.24 C ATOM 1701 O PRO A 108 -18.075 1.506 14.881 1.00 30.55 O ATOM 1702 CB PRO A 108 -19.960 0.496 12.607 1.00 20.21 C ATOM 1703 CG PRO A 108 -19.720 0.847 11.136 1.00 2.12 C ATOM 1704 CD PRO A 108 -20.416 2.201 11.002 1.00 30.22 C ATOM 0 HA PRO A 108 -20.484 1.893 14.236 1.00 5.22 H new ATOM 0 HB2 PRO A 108 -19.217 -0.213 12.972 1.00 20.21 H new ATOM 0 HB3 PRO A 108 -20.938 0.037 12.751 1.00 20.21 H new ATOM 0 HG2 PRO A 108 -18.657 0.912 10.902 1.00 2.12 H new ATOM 0 HG3 PRO A 108 -20.149 0.102 10.466 1.00 2.12 H new ATOM 0 HD2 PRO A 108 -19.954 2.812 10.226 1.00 30.22 H new ATOM 0 HD3 PRO A 108 -21.466 2.085 10.734 1.00 30.22 H new ATOM 1712 N CYS A 109 -17.658 2.944 13.184 1.00 1.45 N ATOM 1713 CA CYS A 109 -16.274 3.208 13.489 1.00 42.05 C ATOM 1714 C CYS A 109 -16.144 4.001 14.781 1.00 41.32 C ATOM 1715 O CYS A 109 -15.363 3.649 15.662 1.00 22.04 O ATOM 1716 CB CYS A 109 -15.613 3.963 12.312 1.00 53.04 C ATOM 1717 SG CYS A 109 -15.713 3.020 10.752 1.00 33.53 S ATOM 0 H CYS A 109 -17.993 3.471 12.378 1.00 1.45 H new ATOM 0 HA CYS A 109 -15.760 2.258 13.631 1.00 42.05 H new ATOM 0 HB2 CYS A 109 -16.099 4.930 12.183 1.00 53.04 H new ATOM 0 HB3 CYS A 109 -14.568 4.161 12.550 1.00 53.04 H new ATOM 1722 N GLN A 110 -16.977 5.057 14.967 1.00 13.24 N ATOM 1723 CA GLN A 110 -17.085 5.799 16.215 1.00 10.31 C ATOM 1724 C GLN A 110 -17.544 4.926 17.349 1.00 31.40 C ATOM 1725 O GLN A 110 -16.920 4.936 18.402 1.00 52.42 O ATOM 1726 CB GLN A 110 -18.067 6.998 16.094 1.00 65.43 C ATOM 1727 CG GLN A 110 -17.438 8.387 16.357 1.00 70.13 C ATOM 1728 CD GLN A 110 -16.782 8.946 15.100 1.00 2.32 C ATOM 1729 OE1 GLN A 110 -15.933 8.102 14.470 1.00 2.14 O flip ATOM 1730 NE2 GLN A 110 -17.049 10.069 14.668 1.00 14.05 N flip ATOM 0 H GLN A 110 -17.594 5.408 14.234 1.00 13.24 H new ATOM 0 HA GLN A 110 -16.082 6.170 16.425 1.00 10.31 H new ATOM 0 HB2 GLN A 110 -18.499 6.995 15.093 1.00 65.43 H new ATOM 0 HB3 GLN A 110 -18.888 6.849 16.796 1.00 65.43 H new ATOM 0 HG2 GLN A 110 -18.207 9.076 16.706 1.00 70.13 H new ATOM 0 HG3 GLN A 110 -16.697 8.308 17.152 1.00 70.13 H new ATOM 0 HE21 GLN A 110 -17.696 10.671 15.178 1.00 14.05 H new ATOM 0 HE22 GLN A 110 -16.623 10.396 13.801 1.00 14.05 H new ATOM 1739 N THR A 111 -18.582 4.085 17.131 1.00 2.31 N ATOM 1740 CA THR A 111 -19.032 3.126 18.142 1.00 45.22 C ATOM 1741 C THR A 111 -17.901 2.198 18.583 1.00 41.43 C ATOM 1742 O THR A 111 -17.669 2.031 19.777 1.00 73.22 O ATOM 1743 CB THR A 111 -20.169 2.242 17.656 1.00 12.03 C ATOM 1744 OG1 THR A 111 -21.262 3.040 17.222 1.00 71.24 O ATOM 1745 CG2 THR A 111 -20.663 1.305 18.787 1.00 43.41 C ATOM 0 H THR A 111 -19.116 4.059 16.263 1.00 2.31 H new ATOM 0 HA THR A 111 -19.377 3.741 18.973 1.00 45.22 H new ATOM 0 HB THR A 111 -19.791 1.643 16.828 1.00 12.03 H new ATOM 0 HG1 THR A 111 -21.838 2.512 16.631 1.00 71.24 H new ATOM 0 HG21 THR A 111 -21.477 0.683 18.415 1.00 43.41 H new ATOM 0 HG22 THR A 111 -19.842 0.669 19.117 1.00 43.41 H new ATOM 0 HG23 THR A 111 -21.019 1.903 19.626 1.00 43.41 H new ATOM 1753 N MET A 112 -17.117 1.620 17.640 1.00 10.21 N ATOM 1754 CA MET A 112 -15.996 0.755 17.978 1.00 64.32 C ATOM 1755 C MET A 112 -14.857 1.475 18.703 1.00 4.21 C ATOM 1756 O MET A 112 -14.378 1.018 19.736 1.00 11.25 O ATOM 1757 CB MET A 112 -15.394 0.105 16.706 1.00 45.14 C ATOM 1758 CG MET A 112 -14.411 -1.040 17.001 1.00 13.50 C ATOM 1759 SD MET A 112 -15.194 -2.500 17.762 1.00 21.22 S ATOM 1760 CE MET A 112 -14.009 -2.706 19.124 1.00 42.22 C ATOM 0 H MET A 112 -17.255 1.748 16.637 1.00 10.21 H new ATOM 0 HA MET A 112 -16.417 0.006 18.649 1.00 64.32 H new ATOM 0 HB2 MET A 112 -16.205 -0.276 16.085 1.00 45.14 H new ATOM 0 HB3 MET A 112 -14.881 0.872 16.125 1.00 45.14 H new ATOM 0 HG2 MET A 112 -13.928 -1.341 16.071 1.00 13.50 H new ATOM 0 HG3 MET A 112 -13.627 -0.673 17.663 1.00 13.50 H new ATOM 0 HE1 MET A 112 -14.300 -3.562 19.733 1.00 42.22 H new ATOM 0 HE2 MET A 112 -13.012 -2.873 18.717 1.00 42.22 H new ATOM 0 HE3 MET A 112 -14.003 -1.807 19.741 1.00 42.22 H new ATOM 1770 N LEU A 113 -14.409 2.642 18.182 1.00 74.10 N ATOM 1771 CA LEU A 113 -13.311 3.440 18.723 1.00 74.12 C ATOM 1772 C LEU A 113 -13.643 4.031 20.071 1.00 21.23 C ATOM 1773 O LEU A 113 -12.862 3.921 21.016 1.00 44.52 O ATOM 1774 CB LEU A 113 -12.977 4.528 17.682 1.00 62.04 C ATOM 1775 CG LEU A 113 -11.669 5.364 17.727 1.00 1.34 C ATOM 1776 CD1 LEU A 113 -11.851 6.754 17.075 1.00 32.34 C ATOM 1777 CD2 LEU A 113 -10.822 5.391 19.000 1.00 32.42 C ATOM 0 H LEU A 113 -14.823 3.057 17.347 1.00 74.10 H new ATOM 0 HA LEU A 113 -12.442 2.806 18.898 1.00 74.12 H new ATOM 0 HB2 LEU A 113 -13.001 4.042 16.707 1.00 62.04 H new ATOM 0 HB3 LEU A 113 -13.801 5.241 17.703 1.00 62.04 H new ATOM 0 HG LEU A 113 -11.012 4.752 17.109 1.00 1.34 H new ATOM 0 HD11 LEU A 113 -10.913 7.306 17.128 1.00 32.34 H new ATOM 0 HD12 LEU A 113 -12.142 6.631 16.032 1.00 32.34 H new ATOM 0 HD13 LEU A 113 -12.627 7.306 17.605 1.00 32.34 H new ATOM 0 HD21 LEU A 113 -9.950 6.026 18.843 1.00 32.42 H new ATOM 0 HD22 LEU A 113 -11.416 5.787 19.824 1.00 32.42 H new ATOM 0 HD23 LEU A 113 -10.496 4.379 19.242 1.00 32.42 H new ATOM 1789 N ASN A 114 -14.863 4.603 20.209 1.00 35.00 N ATOM 1790 CA ASN A 114 -15.350 5.164 21.461 1.00 63.03 C ATOM 1791 C ASN A 114 -15.451 4.072 22.510 1.00 2.11 C ATOM 1792 O ASN A 114 -15.065 4.264 23.662 1.00 35.25 O ATOM 1793 CB ASN A 114 -16.752 5.828 21.377 1.00 15.11 C ATOM 1794 CG ASN A 114 -16.740 7.113 20.552 1.00 15.23 C ATOM 1795 OD1 ASN A 114 -15.723 7.785 20.371 1.00 45.52 O ATOM 1796 ND2 ASN A 114 -17.945 7.477 20.036 1.00 32.43 N ATOM 0 H ASN A 114 -15.530 4.681 19.441 1.00 35.00 H new ATOM 0 HA ASN A 114 -14.626 5.938 21.715 1.00 63.03 H new ATOM 0 HB2 ASN A 114 -17.459 5.124 20.937 1.00 15.11 H new ATOM 0 HB3 ASN A 114 -17.107 6.049 22.384 1.00 15.11 H new ATOM 0 HD21 ASN A 114 -18.026 8.329 19.481 1.00 32.43 H new ATOM 0 HD22 ASN A 114 -18.768 6.898 20.205 1.00 32.43 H new ATOM 1803 N LEU A 115 -15.941 2.868 22.123 1.00 61.51 N ATOM 1804 CA LEU A 115 -15.978 1.721 23.000 1.00 41.30 C ATOM 1805 C LEU A 115 -14.614 1.275 23.418 1.00 13.42 C ATOM 1806 O LEU A 115 -14.366 1.024 24.590 1.00 11.54 O ATOM 1807 CB LEU A 115 -16.671 0.519 22.331 1.00 22.32 C ATOM 1808 CG LEU A 115 -16.748 -0.757 23.191 1.00 55.23 C ATOM 1809 CD1 LEU A 115 -15.534 -1.693 23.130 1.00 34.43 C ATOM 1810 CD2 LEU A 115 -17.248 -0.481 24.600 1.00 61.25 C ATOM 0 H LEU A 115 -16.316 2.688 21.192 1.00 61.51 H new ATOM 0 HA LEU A 115 -16.539 2.048 23.875 1.00 41.30 H new ATOM 0 HB2 LEU A 115 -17.683 0.812 22.053 1.00 22.32 H new ATOM 0 HB3 LEU A 115 -16.143 0.284 21.407 1.00 22.32 H new ATOM 0 HG LEU A 115 -17.515 -1.355 22.699 1.00 55.23 H new ATOM 0 HD11 LEU A 115 -15.706 -2.554 23.776 1.00 34.43 H new ATOM 0 HD12 LEU A 115 -15.387 -2.032 22.105 1.00 34.43 H new ATOM 0 HD13 LEU A 115 -14.645 -1.159 23.466 1.00 34.43 H new ATOM 0 HD21 LEU A 115 -17.283 -1.414 25.163 1.00 61.25 H new ATOM 0 HD22 LEU A 115 -16.573 0.217 25.095 1.00 61.25 H new ATOM 0 HD23 LEU A 115 -18.247 -0.048 24.553 1.00 61.25 H new ATOM 1822 N ALA A 116 -13.688 1.180 22.453 1.00 22.22 N ATOM 1823 CA ALA A 116 -12.351 0.667 22.647 1.00 20.33 C ATOM 1824 C ALA A 116 -11.578 1.530 23.610 1.00 73.13 C ATOM 1825 O ALA A 116 -10.880 1.034 24.495 1.00 40.43 O ATOM 1826 CB ALA A 116 -11.588 0.574 21.312 1.00 11.53 C ATOM 0 H ALA A 116 -13.868 1.470 21.492 1.00 22.22 H new ATOM 0 HA ALA A 116 -12.447 -0.335 23.065 1.00 20.33 H new ATOM 0 HB1 ALA A 116 -10.586 0.185 21.492 1.00 11.53 H new ATOM 0 HB2 ALA A 116 -12.120 -0.094 20.634 1.00 11.53 H new ATOM 0 HB3 ALA A 116 -11.517 1.565 20.864 1.00 11.53 H new ATOM 1832 N MET A 117 -11.725 2.868 23.467 1.00 71.01 N ATOM 1833 CA MET A 117 -11.078 3.807 24.342 1.00 63.04 C ATOM 1834 C MET A 117 -11.750 3.817 25.728 1.00 11.31 C ATOM 1835 O MET A 117 -11.072 4.045 26.724 1.00 20.43 O ATOM 1836 CB MET A 117 -10.984 5.208 23.646 1.00 73.11 C ATOM 1837 CG MET A 117 -12.276 6.033 23.580 1.00 20.12 C ATOM 1838 SD MET A 117 -12.056 7.637 22.750 1.00 54.00 S ATOM 1839 CE MET A 117 -13.628 8.356 23.306 1.00 43.21 C ATOM 0 H MET A 117 -12.296 3.300 22.740 1.00 71.01 H new ATOM 0 HA MET A 117 -10.050 3.499 24.532 1.00 63.04 H new ATOM 0 HB2 MET A 117 -10.230 5.797 24.168 1.00 73.11 H new ATOM 0 HB3 MET A 117 -10.623 5.059 22.628 1.00 73.11 H new ATOM 0 HG2 MET A 117 -13.040 5.460 23.054 1.00 20.12 H new ATOM 0 HG3 MET A 117 -12.645 6.202 24.592 1.00 20.12 H new ATOM 0 HE1 MET A 117 -13.951 9.118 22.597 1.00 43.21 H new ATOM 0 HE2 MET A 117 -14.384 7.574 23.367 1.00 43.21 H new ATOM 0 HE3 MET A 117 -13.494 8.809 24.289 1.00 43.21 H new ATOM 1849 N CYS A 118 -13.080 3.510 25.845 1.00 21.11 N ATOM 1850 CA CYS A 118 -13.737 3.229 27.138 1.00 40.20 C ATOM 1851 C CYS A 118 -13.306 1.909 27.766 1.00 42.31 C ATOM 1852 O CYS A 118 -12.953 1.854 28.943 1.00 44.51 O ATOM 1853 CB CYS A 118 -15.293 3.224 27.032 1.00 51.24 C ATOM 1854 SG CYS A 118 -16.230 2.965 28.600 1.00 22.42 S ATOM 0 H CYS A 118 -13.711 3.454 25.045 1.00 21.11 H new ATOM 0 HA CYS A 118 -13.411 4.048 27.779 1.00 40.20 H new ATOM 0 HB2 CYS A 118 -15.608 4.174 26.601 1.00 51.24 H new ATOM 0 HB3 CYS A 118 -15.584 2.443 26.329 1.00 51.24 H new ATOM 1859 N PHE A 119 -13.273 0.809 26.979 1.00 13.44 N ATOM 1860 CA PHE A 119 -12.779 -0.488 27.408 1.00 45.44 C ATOM 1861 C PHE A 119 -11.373 -0.487 27.959 1.00 20.34 C ATOM 1862 O PHE A 119 -11.110 -1.029 29.035 1.00 41.33 O ATOM 1863 CB PHE A 119 -12.858 -1.420 26.179 1.00 42.34 C ATOM 1864 CG PHE A 119 -12.245 -2.787 26.355 1.00 44.12 C ATOM 1865 CD1 PHE A 119 -10.918 -2.978 25.923 1.00 53.04 C ATOM 1866 CD2 PHE A 119 -12.917 -3.844 26.980 1.00 22.23 C ATOM 1867 CE1 PHE A 119 -10.280 -4.208 26.097 1.00 73.23 C ATOM 1868 CE2 PHE A 119 -12.267 -5.069 27.172 1.00 63.32 C ATOM 1869 CZ PHE A 119 -10.954 -5.254 26.730 1.00 42.41 C ATOM 0 H PHE A 119 -13.599 0.815 26.012 1.00 13.44 H new ATOM 0 HA PHE A 119 -13.398 -0.821 28.241 1.00 45.44 H new ATOM 0 HB2 PHE A 119 -13.906 -1.544 25.907 1.00 42.34 H new ATOM 0 HB3 PHE A 119 -12.367 -0.927 25.340 1.00 42.34 H new ATOM 0 HD1 PHE A 119 -10.388 -2.164 25.452 1.00 53.04 H new ATOM 0 HD2 PHE A 119 -13.936 -3.715 27.314 1.00 22.23 H new ATOM 0 HE1 PHE A 119 -9.269 -4.349 25.743 1.00 73.23 H new ATOM 0 HE2 PHE A 119 -12.785 -5.878 27.666 1.00 63.32 H new ATOM 0 HZ PHE A 119 -10.462 -6.204 26.878 1.00 42.41 H new ATOM 1879 N LYS A 120 -10.439 0.164 27.240 1.00 23.33 N ATOM 1880 CA LYS A 120 -9.065 0.280 27.625 1.00 32.33 C ATOM 1881 C LYS A 120 -8.926 1.046 28.930 1.00 54.33 C ATOM 1882 O LYS A 120 -8.034 0.803 29.741 1.00 22.35 O ATOM 1883 CB LYS A 120 -8.250 0.973 26.503 1.00 33.20 C ATOM 1884 CG LYS A 120 -6.741 1.048 26.781 1.00 61.11 C ATOM 1885 CD LYS A 120 -5.932 1.775 25.691 1.00 34.44 C ATOM 1886 CE LYS A 120 -6.113 3.297 25.651 1.00 73.15 C ATOM 1887 NZ LYS A 120 -5.623 3.902 26.907 1.00 3.10 N ATOM 0 H LYS A 120 -10.649 0.628 26.356 1.00 23.33 H new ATOM 0 HA LYS A 120 -8.670 -0.724 27.779 1.00 32.33 H new ATOM 0 HB2 LYS A 120 -8.410 0.437 25.568 1.00 33.20 H new ATOM 0 HB3 LYS A 120 -8.633 1.983 26.361 1.00 33.20 H new ATOM 0 HG2 LYS A 120 -6.583 1.555 27.733 1.00 61.11 H new ATOM 0 HG3 LYS A 120 -6.353 0.035 26.891 1.00 61.11 H new ATOM 0 HD2 LYS A 120 -4.875 1.554 25.838 1.00 34.44 H new ATOM 0 HD3 LYS A 120 -6.211 1.366 24.720 1.00 34.44 H new ATOM 0 HE2 LYS A 120 -5.570 3.713 24.802 1.00 73.15 H new ATOM 0 HE3 LYS A 120 -7.165 3.542 25.507 1.00 73.15 H new ATOM 0 HZ1 LYS A 120 -5.495 4.925 26.773 1.00 3.10 H new ATOM 0 HZ2 LYS A 120 -6.315 3.736 27.665 1.00 3.10 H new ATOM 0 HZ3 LYS A 120 -4.713 3.471 27.168 1.00 3.10 H new ATOM 1901 N ALA A 121 -9.847 2.004 29.153 1.00 35.31 N ATOM 1902 CA ALA A 121 -9.854 2.863 30.323 1.00 34.33 C ATOM 1903 C ALA A 121 -10.041 2.082 31.620 1.00 44.44 C ATOM 1904 O ALA A 121 -9.382 2.308 32.631 1.00 2.05 O ATOM 1905 CB ALA A 121 -10.974 3.911 30.179 1.00 45.23 C ATOM 0 H ALA A 121 -10.613 2.195 28.507 1.00 35.31 H new ATOM 0 HA ALA A 121 -8.881 3.351 30.380 1.00 34.33 H new ATOM 0 HB1 ALA A 121 -10.982 4.558 31.056 1.00 45.23 H new ATOM 0 HB2 ALA A 121 -10.798 4.512 29.287 1.00 45.23 H new ATOM 0 HB3 ALA A 121 -11.936 3.406 30.092 1.00 45.23 H new ATOM 1911 N GLU A 122 -10.973 1.115 31.582 1.00 20.34 N ATOM 1912 CA GLU A 122 -11.268 0.175 32.636 1.00 53.33 C ATOM 1913 C GLU A 122 -10.138 -0.828 32.898 1.00 52.14 C ATOM 1914 O GLU A 122 -9.727 -0.996 34.036 1.00 35.05 O ATOM 1915 CB GLU A 122 -12.589 -0.526 32.246 1.00 32.41 C ATOM 1916 CG GLU A 122 -13.831 0.409 32.290 1.00 20.52 C ATOM 1917 CD GLU A 122 -14.219 0.831 33.705 1.00 45.01 C ATOM 1918 OE1 GLU A 122 -14.231 2.058 33.978 1.00 62.50 O ATOM 1919 OE2 GLU A 122 -14.520 -0.084 34.518 1.00 42.34 O ATOM 0 H GLU A 122 -11.564 0.974 30.763 1.00 20.34 H new ATOM 0 HA GLU A 122 -11.369 0.707 33.582 1.00 53.33 H new ATOM 0 HB2 GLU A 122 -12.489 -0.936 31.241 1.00 32.41 H new ATOM 0 HB3 GLU A 122 -12.755 -1.368 32.918 1.00 32.41 H new ATOM 0 HG2 GLU A 122 -13.628 1.300 31.695 1.00 20.52 H new ATOM 0 HG3 GLU A 122 -14.676 -0.099 31.825 1.00 20.52 H new ATOM 1926 N ILE A 123 -9.530 -1.476 31.875 1.00 51.42 N ATOM 1927 CA ILE A 123 -8.386 -2.371 32.044 1.00 10.13 C ATOM 1928 C ILE A 123 -7.111 -1.678 32.490 1.00 65.40 C ATOM 1929 O ILE A 123 -6.256 -2.305 33.109 1.00 31.11 O ATOM 1930 CB ILE A 123 -8.106 -3.241 30.818 1.00 43.01 C ATOM 1931 CG1 ILE A 123 -7.662 -2.416 29.600 1.00 11.12 C ATOM 1932 CG2 ILE A 123 -9.349 -4.099 30.500 1.00 51.01 C ATOM 1933 CD1 ILE A 123 -7.439 -3.207 28.308 1.00 13.52 C ATOM 0 H ILE A 123 -9.831 -1.383 30.905 1.00 51.42 H new ATOM 0 HA ILE A 123 -8.700 -3.024 32.859 1.00 10.13 H new ATOM 0 HB ILE A 123 -7.269 -3.899 31.054 1.00 43.01 H new ATOM 0 HG12 ILE A 123 -8.413 -1.650 29.410 1.00 11.12 H new ATOM 0 HG13 ILE A 123 -6.736 -1.899 29.852 1.00 11.12 H new ATOM 0 HG21 ILE A 123 -9.149 -4.719 29.626 1.00 51.01 H new ATOM 0 HG22 ILE A 123 -9.578 -4.737 31.353 1.00 51.01 H new ATOM 0 HG23 ILE A 123 -10.198 -3.447 30.296 1.00 51.01 H new ATOM 0 HD11 ILE A 123 -7.129 -2.527 27.514 1.00 13.52 H new ATOM 0 HD12 ILE A 123 -6.663 -3.955 28.469 1.00 13.52 H new ATOM 0 HD13 ILE A 123 -8.366 -3.702 28.020 1.00 13.52 H new ATOM 1945 N HIS A 124 -6.972 -0.355 32.235 1.00 3.31 N ATOM 1946 CA HIS A 124 -5.923 0.490 32.787 1.00 33.34 C ATOM 1947 C HIS A 124 -5.993 0.548 34.309 1.00 62.24 C ATOM 1948 O HIS A 124 -4.973 0.519 34.993 1.00 51.41 O ATOM 1949 CB HIS A 124 -6.015 1.941 32.234 1.00 32.10 C ATOM 1950 CG HIS A 124 -4.931 2.872 32.710 1.00 34.31 C ATOM 1951 ND1 HIS A 124 -3.668 2.887 32.186 1.00 50.41 N ATOM 1952 CD2 HIS A 124 -4.950 3.777 33.715 1.00 54.25 C ATOM 1953 CE1 HIS A 124 -2.945 3.773 32.847 1.00 64.02 C ATOM 1954 NE2 HIS A 124 -3.699 4.326 33.779 1.00 12.10 N ATOM 0 H HIS A 124 -7.610 0.153 31.622 1.00 3.31 H new ATOM 0 HA HIS A 124 -4.976 0.042 32.485 1.00 33.34 H new ATOM 0 HB2 HIS A 124 -5.987 1.901 31.145 1.00 32.10 H new ATOM 0 HB3 HIS A 124 -6.982 2.360 32.513 1.00 32.10 H new ATOM 0 HD1 HIS A 124 -3.339 2.309 31.412 1.00 50.41 H new ATOM 0 HD2 HIS A 124 -5.792 4.020 34.346 1.00 54.25 H new ATOM 0 HE1 HIS A 124 -1.908 4.007 32.656 1.00 64.02 H new ATOM 1963 N LYS A 125 -7.222 0.672 34.870 1.00 61.30 N ATOM 1964 CA LYS A 125 -7.437 0.942 36.283 1.00 33.13 C ATOM 1965 C LYS A 125 -7.253 -0.291 37.169 1.00 44.53 C ATOM 1966 O LYS A 125 -7.009 -0.192 38.370 1.00 64.22 O ATOM 1967 CB LYS A 125 -8.842 1.575 36.496 1.00 11.44 C ATOM 1968 CG LYS A 125 -10.028 0.643 36.805 1.00 64.34 C ATOM 1969 CD LYS A 125 -11.375 1.370 36.669 1.00 2.22 C ATOM 1970 CE LYS A 125 -12.564 0.637 37.291 1.00 71.44 C ATOM 1971 NZ LYS A 125 -12.754 -0.696 36.690 1.00 74.23 N ATOM 0 H LYS A 125 -8.087 0.584 34.337 1.00 61.30 H new ATOM 0 HA LYS A 125 -6.668 1.650 36.592 1.00 33.13 H new ATOM 0 HB2 LYS A 125 -8.762 2.292 37.313 1.00 11.44 H new ATOM 0 HB3 LYS A 125 -9.090 2.141 35.598 1.00 11.44 H new ATOM 0 HG2 LYS A 125 -10.006 -0.211 36.128 1.00 64.34 H new ATOM 0 HG3 LYS A 125 -9.928 0.250 37.817 1.00 64.34 H new ATOM 0 HD2 LYS A 125 -11.290 2.353 37.132 1.00 2.22 H new ATOM 0 HD3 LYS A 125 -11.579 1.532 35.611 1.00 2.22 H new ATOM 0 HE2 LYS A 125 -12.407 0.534 38.365 1.00 71.44 H new ATOM 0 HE3 LYS A 125 -13.469 1.230 37.156 1.00 71.44 H new ATOM 0 HZ1 LYS A 125 -13.290 -1.299 37.346 1.00 74.23 H new ATOM 0 HZ2 LYS A 125 -13.279 -0.603 35.797 1.00 74.23 H new ATOM 0 HZ3 LYS A 125 -11.827 -1.128 36.502 1.00 74.23 H new ATOM 1985 N LEU A 126 -7.403 -1.491 36.565 1.00 64.22 N ATOM 1986 CA LEU A 126 -7.355 -2.806 37.183 1.00 74.21 C ATOM 1987 C LEU A 126 -5.998 -3.215 37.739 1.00 72.34 C ATOM 1988 O LEU A 126 -4.935 -2.772 37.317 1.00 13.25 O ATOM 1989 CB LEU A 126 -7.840 -3.904 36.191 1.00 72.10 C ATOM 1990 CG LEU A 126 -9.337 -3.787 35.823 1.00 2.21 C ATOM 1991 CD1 LEU A 126 -9.694 -4.557 34.544 1.00 51.13 C ATOM 1992 CD2 LEU A 126 -10.252 -4.245 36.969 1.00 23.14 C ATOM 0 H LEU A 126 -7.572 -1.554 35.561 1.00 64.22 H new ATOM 0 HA LEU A 126 -8.026 -2.721 38.038 1.00 74.21 H new ATOM 0 HB2 LEU A 126 -7.245 -3.847 35.280 1.00 72.10 H new ATOM 0 HB3 LEU A 126 -7.658 -4.885 36.630 1.00 72.10 H new ATOM 0 HG LEU A 126 -9.507 -2.726 35.640 1.00 2.21 H new ATOM 0 HD11 LEU A 126 -10.757 -4.440 34.334 1.00 51.13 H new ATOM 0 HD12 LEU A 126 -9.113 -4.165 33.709 1.00 51.13 H new ATOM 0 HD13 LEU A 126 -9.465 -5.614 34.680 1.00 51.13 H new ATOM 0 HD21 LEU A 126 -11.294 -4.145 36.665 1.00 23.14 H new ATOM 0 HD22 LEU A 126 -10.042 -5.288 37.208 1.00 23.14 H new ATOM 0 HD23 LEU A 126 -10.070 -3.628 37.849 1.00 23.14 H new ATOM 2004 N ASP A 127 -6.035 -4.113 38.751 1.00 30.33 N ATOM 2005 CA ASP A 127 -4.877 -4.598 39.480 1.00 74.52 C ATOM 2006 C ASP A 127 -4.178 -5.748 38.743 1.00 54.41 C ATOM 2007 O ASP A 127 -3.176 -6.275 39.219 1.00 65.13 O ATOM 2008 CB ASP A 127 -5.343 -5.019 40.907 1.00 54.45 C ATOM 2009 CG ASP A 127 -4.194 -5.311 41.875 1.00 43.12 C ATOM 2010 OD1 ASP A 127 -3.365 -4.391 42.094 1.00 32.11 O ATOM 2011 OD2 ASP A 127 -4.174 -6.438 42.433 1.00 71.32 O ATOM 0 H ASP A 127 -6.909 -4.523 39.081 1.00 30.33 H new ATOM 0 HA ASP A 127 -4.134 -3.804 39.558 1.00 74.52 H new ATOM 0 HB2 ASP A 127 -5.964 -4.226 41.324 1.00 54.45 H new ATOM 0 HB3 ASP A 127 -5.971 -5.906 40.826 1.00 54.45 H new ATOM 2016 N TRP A 128 -4.691 -6.159 37.566 1.00 51.20 N ATOM 2017 CA TRP A 128 -4.100 -7.195 36.741 1.00 50.33 C ATOM 2018 C TRP A 128 -4.063 -6.659 35.324 1.00 11.23 C ATOM 2019 O TRP A 128 -4.848 -5.779 34.974 1.00 13.11 O ATOM 2020 CB TRP A 128 -4.899 -8.537 36.785 1.00 3.20 C ATOM 2021 CG TRP A 128 -6.306 -8.425 36.226 1.00 10.25 C ATOM 2022 CD1 TRP A 128 -7.360 -7.772 36.787 1.00 74.23 C ATOM 2023 CD2 TRP A 128 -6.724 -8.833 34.912 1.00 71.22 C ATOM 2024 NE1 TRP A 128 -8.395 -7.678 35.886 1.00 70.01 N ATOM 2025 CE2 TRP A 128 -8.028 -8.330 34.726 1.00 2.22 C ATOM 2026 CE3 TRP A 128 -6.075 -9.545 33.906 1.00 51.12 C ATOM 2027 CZ2 TRP A 128 -8.700 -8.515 33.522 1.00 44.25 C ATOM 2028 CZ3 TRP A 128 -6.774 -9.778 32.713 1.00 20.42 C ATOM 2029 CH2 TRP A 128 -8.058 -9.250 32.513 1.00 30.43 C ATOM 0 H TRP A 128 -5.543 -5.764 37.168 1.00 51.20 H new ATOM 0 HA TRP A 128 -3.104 -7.428 37.117 1.00 50.33 H new ATOM 0 HB2 TRP A 128 -4.353 -9.294 36.222 1.00 3.20 H new ATOM 0 HB3 TRP A 128 -4.953 -8.884 37.817 1.00 3.20 H new ATOM 0 HD1 TRP A 128 -7.381 -7.384 37.795 1.00 74.23 H new ATOM 0 HE1 TRP A 128 -9.284 -7.206 36.048 1.00 70.01 H new ATOM 0 HE3 TRP A 128 -5.066 -9.906 34.041 1.00 51.12 H new ATOM 0 HZ2 TRP A 128 -9.687 -8.105 33.368 1.00 44.25 H new ATOM 0 HZ3 TRP A 128 -6.317 -10.373 31.936 1.00 20.42 H new ATOM 0 HH2 TRP A 128 -8.559 -9.411 31.570 1.00 30.43 H new ATOM 2040 N ALA A 129 -3.147 -7.173 34.477 1.00 73.34 N ATOM 2041 CA ALA A 129 -3.033 -6.730 33.108 1.00 43.24 C ATOM 2042 C ALA A 129 -3.385 -7.851 32.134 1.00 15.42 C ATOM 2043 O ALA A 129 -2.696 -8.873 32.141 1.00 43.24 O ATOM 2044 CB ALA A 129 -1.604 -6.240 32.820 1.00 24.45 C ATOM 0 H ALA A 129 -2.480 -7.899 34.738 1.00 73.34 H new ATOM 0 HA ALA A 129 -3.737 -5.909 32.968 1.00 43.24 H new ATOM 0 HB1 ALA A 129 -1.535 -5.909 31.784 1.00 24.45 H new ATOM 0 HB2 ALA A 129 -1.364 -5.409 33.483 1.00 24.45 H new ATOM 0 HB3 ALA A 129 -0.899 -7.054 32.989 1.00 24.45 H new ATOM 2050 N PRO A 130 -4.400 -7.752 31.269 1.00 51.12 N ATOM 2051 CA PRO A 130 -4.466 -8.543 30.040 1.00 74.24 C ATOM 2052 C PRO A 130 -3.401 -8.047 29.073 1.00 31.31 C ATOM 2053 O PRO A 130 -3.008 -6.881 29.120 1.00 43.20 O ATOM 2054 CB PRO A 130 -5.883 -8.265 29.518 1.00 21.12 C ATOM 2055 CG PRO A 130 -6.205 -6.852 30.016 1.00 53.44 C ATOM 2056 CD PRO A 130 -5.492 -6.774 31.364 1.00 12.24 C ATOM 0 HA PRO A 130 -4.285 -9.609 30.178 1.00 74.24 H new ATOM 0 HB2 PRO A 130 -5.923 -8.321 28.430 1.00 21.12 H new ATOM 0 HB3 PRO A 130 -6.597 -8.993 29.902 1.00 21.12 H new ATOM 0 HG2 PRO A 130 -5.841 -6.091 29.326 1.00 53.44 H new ATOM 0 HG3 PRO A 130 -7.279 -6.699 30.121 1.00 53.44 H new ATOM 0 HD2 PRO A 130 -5.109 -5.771 31.551 1.00 12.24 H new ATOM 0 HD3 PRO A 130 -6.169 -7.015 32.184 1.00 12.24 H new ATOM 2064 N THR A 131 -2.911 -8.923 28.174 1.00 41.24 N ATOM 2065 CA THR A 131 -2.009 -8.539 27.100 1.00 55.31 C ATOM 2066 C THR A 131 -2.878 -8.051 25.963 1.00 14.23 C ATOM 2067 O THR A 131 -4.090 -8.267 25.968 1.00 14.10 O ATOM 2068 CB THR A 131 -1.086 -9.663 26.606 1.00 61.22 C ATOM 2069 OG1 THR A 131 -1.724 -10.687 25.849 1.00 0.31 O ATOM 2070 CG2 THR A 131 -0.521 -10.377 27.841 1.00 24.25 C ATOM 0 H THR A 131 -3.138 -9.917 28.183 1.00 41.24 H new ATOM 0 HA THR A 131 -1.333 -7.773 27.481 1.00 55.31 H new ATOM 0 HB THR A 131 -0.352 -9.175 25.964 1.00 61.22 H new ATOM 0 HG1 THR A 131 -1.060 -11.355 25.577 1.00 0.31 H new ATOM 0 HG21 THR A 131 0.141 -11.183 27.524 1.00 24.25 H new ATOM 0 HG22 THR A 131 0.039 -9.666 28.448 1.00 24.25 H new ATOM 0 HG23 THR A 131 -1.340 -10.790 28.429 1.00 24.25 H new ATOM 2078 N LEU A 132 -2.303 -7.416 24.918 1.00 35.22 N ATOM 2079 CA LEU A 132 -3.080 -6.962 23.775 1.00 33.02 C ATOM 2080 C LEU A 132 -3.761 -8.103 23.045 1.00 61.12 C ATOM 2081 O LEU A 132 -4.878 -7.938 22.568 1.00 15.15 O ATOM 2082 CB LEU A 132 -2.260 -6.126 22.752 1.00 51.31 C ATOM 2083 CG LEU A 132 -1.911 -4.680 23.193 1.00 10.51 C ATOM 2084 CD1 LEU A 132 -3.175 -3.848 23.484 1.00 24.54 C ATOM 2085 CD2 LEU A 132 -0.912 -4.587 24.361 1.00 64.45 C ATOM 0 H LEU A 132 -1.305 -7.213 24.855 1.00 35.22 H new ATOM 0 HA LEU A 132 -3.837 -6.311 24.212 1.00 33.02 H new ATOM 0 HB2 LEU A 132 -1.331 -6.656 22.539 1.00 51.31 H new ATOM 0 HB3 LEU A 132 -2.820 -6.077 21.818 1.00 51.31 H new ATOM 0 HG LEU A 132 -1.397 -4.250 22.333 1.00 10.51 H new ATOM 0 HD11 LEU A 132 -2.886 -2.842 23.790 1.00 24.54 H new ATOM 0 HD12 LEU A 132 -3.789 -3.792 22.585 1.00 24.54 H new ATOM 0 HD13 LEU A 132 -3.745 -4.320 24.284 1.00 24.54 H new ATOM 0 HD21 LEU A 132 -0.728 -3.540 24.600 1.00 64.45 H new ATOM 0 HD22 LEU A 132 -1.325 -5.091 25.234 1.00 64.45 H new ATOM 0 HD23 LEU A 132 0.026 -5.064 24.077 1.00 64.45 H new ATOM 2097 N ASP A 133 -3.145 -9.309 23.005 1.00 40.42 N ATOM 2098 CA ASP A 133 -3.702 -10.476 22.336 1.00 73.21 C ATOM 2099 C ASP A 133 -5.054 -10.884 22.922 1.00 61.12 C ATOM 2100 O ASP A 133 -5.960 -11.245 22.188 1.00 52.22 O ATOM 2101 CB ASP A 133 -2.742 -11.691 22.440 1.00 60.54 C ATOM 2102 CG ASP A 133 -1.464 -11.431 21.656 1.00 52.24 C ATOM 2103 OD1 ASP A 133 -0.385 -11.406 22.305 1.00 74.30 O ATOM 2104 OD2 ASP A 133 -1.552 -11.258 20.415 1.00 2.04 O ATOM 0 H ASP A 133 -2.241 -9.485 23.444 1.00 40.42 H new ATOM 0 HA ASP A 133 -3.836 -10.191 21.292 1.00 73.21 H new ATOM 0 HB2 ASP A 133 -2.501 -11.883 23.486 1.00 60.54 H new ATOM 0 HB3 ASP A 133 -3.235 -12.585 22.057 1.00 60.54 H new ATOM 2109 N VAL A 134 -5.201 -10.815 24.259 1.00 3.34 N ATOM 2110 CA VAL A 134 -6.399 -11.153 25.022 1.00 43.43 C ATOM 2111 C VAL A 134 -7.315 -9.965 25.200 1.00 52.33 C ATOM 2112 O VAL A 134 -8.519 -10.081 24.966 1.00 32.41 O ATOM 2113 CB VAL A 134 -6.109 -11.860 26.343 1.00 22.04 C ATOM 2114 CG1 VAL A 134 -4.842 -11.350 27.003 1.00 13.30 C ATOM 2115 CG2 VAL A 134 -7.303 -11.929 27.319 1.00 22.20 C ATOM 0 H VAL A 134 -4.439 -10.503 24.861 1.00 3.34 H new ATOM 0 HA VAL A 134 -6.932 -11.884 24.414 1.00 43.43 H new ATOM 0 HB VAL A 134 -5.932 -12.899 26.065 1.00 22.04 H new ATOM 0 HG11 VAL A 134 -4.679 -11.884 27.939 1.00 13.30 H new ATOM 0 HG12 VAL A 134 -3.994 -11.515 26.339 1.00 13.30 H new ATOM 0 HG13 VAL A 134 -4.941 -10.284 27.206 1.00 13.30 H new ATOM 0 HG21 VAL A 134 -7.000 -12.449 28.228 1.00 22.20 H new ATOM 0 HG22 VAL A 134 -7.627 -10.919 27.569 1.00 22.20 H new ATOM 0 HG23 VAL A 134 -8.126 -12.468 26.850 1.00 22.20 H new ATOM 2125 N ALA A 135 -6.776 -8.772 25.562 1.00 4.05 N ATOM 2126 CA ALA A 135 -7.561 -7.567 25.742 1.00 42.40 C ATOM 2127 C ALA A 135 -8.242 -7.107 24.484 1.00 25.23 C ATOM 2128 O ALA A 135 -9.443 -6.847 24.491 1.00 21.12 O ATOM 2129 CB ALA A 135 -6.688 -6.406 26.248 1.00 35.53 C ATOM 0 H ALA A 135 -5.779 -8.640 25.733 1.00 4.05 H new ATOM 0 HA ALA A 135 -8.322 -7.833 26.476 1.00 42.40 H new ATOM 0 HB1 ALA A 135 -7.304 -5.516 26.374 1.00 35.53 H new ATOM 0 HB2 ALA A 135 -6.242 -6.677 27.205 1.00 35.53 H new ATOM 0 HB3 ALA A 135 -5.899 -6.202 25.524 1.00 35.53 H new ATOM 2135 N VAL A 136 -7.521 -7.041 23.340 1.00 65.30 N ATOM 2136 CA VAL A 136 -8.198 -6.693 22.110 1.00 42.40 C ATOM 2137 C VAL A 136 -8.883 -7.918 21.594 1.00 75.21 C ATOM 2138 O VAL A 136 -9.909 -7.824 20.931 1.00 30.45 O ATOM 2139 CB VAL A 136 -7.334 -6.119 20.993 1.00 10.30 C ATOM 2140 CG1 VAL A 136 -6.360 -5.090 21.590 1.00 24.12 C ATOM 2141 CG2 VAL A 136 -6.704 -7.115 19.998 1.00 65.32 C ATOM 0 H VAL A 136 -6.520 -7.218 23.261 1.00 65.30 H new ATOM 0 HA VAL A 136 -8.879 -5.886 22.379 1.00 42.40 H new ATOM 0 HB VAL A 136 -8.016 -5.612 20.310 1.00 10.30 H new ATOM 0 HG11 VAL A 136 -5.738 -4.675 20.797 1.00 24.12 H new ATOM 0 HG12 VAL A 136 -6.924 -4.288 22.066 1.00 24.12 H new ATOM 0 HG13 VAL A 136 -5.726 -5.577 22.331 1.00 24.12 H new ATOM 0 HG21 VAL A 136 -6.117 -6.569 19.259 1.00 65.32 H new ATOM 0 HG22 VAL A 136 -6.056 -7.807 20.537 1.00 65.32 H new ATOM 0 HG23 VAL A 136 -7.493 -7.674 19.494 1.00 65.32 H new ATOM 2151 N GLY A 137 -8.325 -9.121 21.876 1.00 74.31 N ATOM 2152 CA GLY A 137 -8.845 -10.336 21.276 1.00 15.42 C ATOM 2153 C GLY A 137 -10.258 -10.650 21.655 1.00 13.23 C ATOM 2154 O GLY A 137 -11.042 -11.028 20.793 1.00 11.15 O ATOM 0 H GLY A 137 -7.532 -9.257 22.504 1.00 74.31 H new ATOM 0 HA2 GLY A 137 -8.782 -10.248 20.191 1.00 15.42 H new ATOM 0 HA3 GLY A 137 -8.208 -11.172 21.565 1.00 15.42 H new ATOM 2158 N GLU A 138 -10.647 -10.476 22.941 1.00 75.42 N ATOM 2159 CA GLU A 138 -12.034 -10.649 23.341 1.00 50.44 C ATOM 2160 C GLU A 138 -12.984 -9.634 22.710 1.00 3.41 C ATOM 2161 O GLU A 138 -14.107 -9.980 22.344 1.00 70.32 O ATOM 2162 CB GLU A 138 -12.239 -10.640 24.874 1.00 12.43 C ATOM 2163 CG GLU A 138 -11.422 -11.775 25.523 1.00 1.52 C ATOM 2164 CD GLU A 138 -11.987 -12.218 26.864 1.00 0.10 C ATOM 2165 OE1 GLU A 138 -11.340 -11.930 27.898 1.00 31.11 O ATOM 2166 OE2 GLU A 138 -13.022 -12.930 26.838 1.00 32.43 O ATOM 0 H GLU A 138 -10.016 -10.219 23.700 1.00 75.42 H new ATOM 0 HA GLU A 138 -12.284 -11.640 22.961 1.00 50.44 H new ATOM 0 HB2 GLU A 138 -11.931 -9.678 25.285 1.00 12.43 H new ATOM 0 HB3 GLU A 138 -13.296 -10.762 25.108 1.00 12.43 H new ATOM 0 HG2 GLU A 138 -11.394 -12.629 24.846 1.00 1.52 H new ATOM 0 HG3 GLU A 138 -10.393 -11.443 25.660 1.00 1.52 H new ATOM 2173 N LEU A 139 -12.542 -8.361 22.543 1.00 2.40 N ATOM 2174 CA LEU A 139 -13.276 -7.321 21.850 1.00 41.42 C ATOM 2175 C LEU A 139 -13.477 -7.623 20.418 1.00 62.41 C ATOM 2176 O LEU A 139 -14.588 -7.567 19.896 1.00 34.04 O ATOM 2177 CB LEU A 139 -12.513 -5.981 21.765 1.00 20.35 C ATOM 2178 CG LEU A 139 -12.465 -5.150 23.022 1.00 22.13 C ATOM 2179 CD1 LEU A 139 -11.528 -3.953 22.790 1.00 1.34 C ATOM 2180 CD2 LEU A 139 -13.892 -4.666 23.284 1.00 43.32 C ATOM 0 H LEU A 139 -11.642 -8.042 22.902 1.00 2.40 H new ATOM 0 HA LEU A 139 -14.196 -7.263 22.431 1.00 41.42 H new ATOM 0 HB2 LEU A 139 -11.489 -6.191 21.456 1.00 20.35 H new ATOM 0 HB3 LEU A 139 -12.967 -5.380 20.977 1.00 20.35 H new ATOM 0 HG LEU A 139 -12.093 -5.719 23.874 1.00 22.13 H new ATOM 0 HD11 LEU A 139 -11.485 -3.344 23.693 1.00 1.34 H new ATOM 0 HD12 LEU A 139 -10.529 -4.315 22.549 1.00 1.34 H new ATOM 0 HD13 LEU A 139 -11.905 -3.350 21.964 1.00 1.34 H new ATOM 0 HD21 LEU A 139 -13.910 -4.057 24.188 1.00 43.32 H new ATOM 0 HD22 LEU A 139 -14.235 -4.070 22.438 1.00 43.32 H new ATOM 0 HD23 LEU A 139 -14.550 -5.526 23.413 1.00 43.32 H new ATOM 2192 N LEU A 140 -12.352 -7.944 19.757 1.00 44.34 N ATOM 2193 CA LEU A 140 -12.397 -8.208 18.351 1.00 15.45 C ATOM 2194 C LEU A 140 -13.152 -9.499 18.050 1.00 34.32 C ATOM 2195 O LEU A 140 -13.987 -9.558 17.152 1.00 43.10 O ATOM 2196 CB LEU A 140 -10.985 -8.220 17.714 1.00 63.52 C ATOM 2197 CG LEU A 140 -10.220 -6.870 17.718 1.00 4.00 C ATOM 2198 CD1 LEU A 140 -8.978 -6.960 16.810 1.00 35.33 C ATOM 2199 CD2 LEU A 140 -11.049 -5.605 17.449 1.00 64.11 C ATOM 0 H LEU A 140 -11.429 -8.020 20.183 1.00 44.34 H new ATOM 0 HA LEU A 140 -12.947 -7.386 17.892 1.00 15.45 H new ATOM 0 HB2 LEU A 140 -10.379 -8.959 18.238 1.00 63.52 H new ATOM 0 HB3 LEU A 140 -11.078 -8.558 16.682 1.00 63.52 H new ATOM 0 HG LEU A 140 -9.914 -6.728 18.754 1.00 4.00 H new ATOM 0 HD11 LEU A 140 -8.449 -6.007 16.821 1.00 35.33 H new ATOM 0 HD12 LEU A 140 -8.317 -7.746 17.175 1.00 35.33 H new ATOM 0 HD13 LEU A 140 -9.288 -7.191 15.791 1.00 35.33 H new ATOM 0 HD21 LEU A 140 -10.399 -4.731 17.479 1.00 64.11 H new ATOM 0 HD22 LEU A 140 -11.515 -5.677 16.466 1.00 64.11 H new ATOM 0 HD23 LEU A 140 -11.823 -5.508 18.211 1.00 64.11 H new ATOM 2211 N ALA A 141 -12.943 -10.569 18.845 1.00 10.41 N ATOM 2212 CA ALA A 141 -13.696 -11.793 18.704 1.00 54.10 C ATOM 2213 C ALA A 141 -15.191 -11.639 18.934 1.00 44.13 C ATOM 2214 O ALA A 141 -15.976 -12.283 18.250 1.00 22.33 O ATOM 2215 CB ALA A 141 -13.166 -12.882 19.655 1.00 31.14 C ATOM 0 H ALA A 141 -12.249 -10.591 19.592 1.00 10.41 H new ATOM 0 HA ALA A 141 -13.555 -12.083 17.663 1.00 54.10 H new ATOM 0 HB1 ALA A 141 -13.751 -13.793 19.528 1.00 31.14 H new ATOM 0 HB2 ALA A 141 -12.120 -13.088 19.426 1.00 31.14 H new ATOM 0 HB3 ALA A 141 -13.251 -12.538 20.686 1.00 31.14 H new ATOM 2221 N ASP A 142 -15.636 -10.813 19.904 1.00 54.11 N ATOM 2222 CA ASP A 142 -17.048 -10.630 20.174 1.00 52.02 C ATOM 2223 C ASP A 142 -17.605 -9.374 19.494 1.00 24.24 C ATOM 2224 O ASP A 142 -18.567 -8.788 19.982 1.00 3.43 O ATOM 2225 CB ASP A 142 -17.252 -10.595 21.718 1.00 51.33 C ATOM 2226 CG ASP A 142 -18.707 -10.757 22.157 1.00 73.44 C ATOM 2227 OD1 ASP A 142 -19.180 -9.911 22.959 1.00 14.32 O ATOM 2228 OD2 ASP A 142 -19.335 -11.760 21.728 1.00 53.53 O ATOM 0 H ASP A 142 -15.021 -10.267 20.507 1.00 54.11 H new ATOM 0 HA ASP A 142 -17.608 -11.465 19.753 1.00 52.02 H new ATOM 0 HB2 ASP A 142 -16.656 -11.388 22.171 1.00 51.33 H new ATOM 0 HB3 ASP A 142 -16.870 -9.650 22.103 1.00 51.33 H new ATOM 2233 N THR A 143 -17.047 -8.905 18.348 1.00 63.41 N ATOM 2234 CA THR A 143 -17.613 -7.721 17.680 1.00 54.44 C ATOM 2235 C THR A 143 -19.045 -7.946 17.109 1.00 65.32 C ATOM 2236 O THR A 143 -19.299 -9.028 16.507 1.00 0.00 O ATOM 2237 CB THR A 143 -16.724 -7.126 16.582 1.00 61.31 C ATOM 2238 OG1 THR A 143 -17.226 -5.864 16.165 1.00 23.12 O ATOM 2239 CG2 THR A 143 -16.610 -8.016 15.339 1.00 35.02 C ATOM 2240 OXT THR A 143 -19.906 -7.045 17.302 1.00 0.00 O ATOM 0 H THR A 143 -16.235 -9.316 17.887 1.00 63.41 H new ATOM 0 HA THR A 143 -17.671 -6.997 18.493 1.00 54.44 H new ATOM 0 HB THR A 143 -15.734 -7.033 17.029 1.00 61.31 H new ATOM 0 HG1 THR A 143 -16.647 -5.497 15.465 1.00 23.12 H new ATOM 0 HG21 THR A 143 -15.966 -7.533 14.604 1.00 35.02 H new ATOM 0 HG22 THR A 143 -16.182 -8.979 15.619 1.00 35.02 H new ATOM 0 HG23 THR A 143 -17.600 -8.170 14.910 1.00 35.02 H new TER 2248 THR A 143