USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 988 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 132 SER OG : rot -81:sc= 0.0665 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.06 X(o=-0.99,f=-0.81) USER MOD Set 2.1: A 129 LYS NZ :NH3+ -120:sc= -1.62 (180deg=-2.49) USER MOD Set 2.2: A 130 ASN : amide:sc= -1.05 K(o=-2.7,f=-1.7) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0901 X(o=-0.09,f=-0.56) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -55:sc= 0.101 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.166 X(o=0.17,f=-0.2) USER MOD Single : A 77 SER OG : rot 180:sc= -0.656 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0769 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 26:sc= 0.477 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 168:sc= -0.965 USER MOD Single : A 92 LYS NZ :NH3+ -154:sc= -0.147 (180deg=-0.734) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 97 THR OG1 : rot -97:sc= -1.64 USER MOD Single : A 100 GLN : amide:sc= 0.0652 X(o=0.065,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot -132:sc= 1.08 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -9:sc= 0.849 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.42) USER MOD Single : A 116 MET CE :methyl 167:sc= 0 (180deg=-0.172) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 24:sc= -0.368 USER MOD Single : A 141 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-4.4!) USER MOD Single : A 145 GLN : amide:sc= -5.2! C(o=-5.2!,f=-3.7!) USER MOD Single : B 518 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 38:sc= 0.02 USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 531 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 532 ASN : amide:sc= -0.841 X(o=-0.84,f=-1.2) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc=-0.00289 K(o=-0.0029,f=-1.4) USER MOD Single : B 537 SER OG : rot 79:sc= 0.139 USER MOD Single : B 541 SER OG : rot 180:sc= 0 USER MOD Single : B 545 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00162) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= -0.0131 USER MOD Single : B 558 GLN : amide:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 5.063 -6.744 -29.836 1.00 74.20 N ATOM 2 CA MET A 69 6.309 -5.988 -29.770 1.00 31.11 C ATOM 3 C MET A 69 6.081 -4.621 -29.136 1.00 50.54 C ATOM 4 O MET A 69 6.578 -3.607 -29.628 1.00 3.54 O ATOM 5 CB MET A 69 6.905 -5.822 -31.169 1.00 33.12 C ATOM 6 CG MET A 69 5.986 -5.096 -32.138 1.00 34.21 C ATOM 7 SD MET A 69 4.899 -6.217 -33.039 1.00 30.11 S ATOM 8 CE MET A 69 6.003 -6.800 -34.323 1.00 32.55 C ATOM 0 HA MET A 69 7.011 -6.545 -29.149 1.00 31.11 H new ATOM 0 HB2 MET A 69 7.844 -5.274 -31.092 1.00 33.12 H new ATOM 0 HB3 MET A 69 7.142 -6.806 -31.573 1.00 33.12 H new ATOM 0 HG2 MET A 69 5.382 -4.375 -31.588 1.00 34.21 H new ATOM 0 HG3 MET A 69 6.588 -4.531 -32.849 1.00 34.21 H new ATOM 0 HE1 MET A 69 5.474 -7.505 -34.965 1.00 32.55 H new ATOM 0 HE2 MET A 69 6.347 -5.954 -34.918 1.00 32.55 H new ATOM 0 HE3 MET A 69 6.860 -7.296 -33.868 1.00 32.55 H new ATOM 18 N ASP A 70 5.330 -4.598 -28.041 1.00 23.23 N ATOM 19 CA ASP A 70 5.037 -3.354 -27.339 1.00 34.14 C ATOM 20 C ASP A 70 6.303 -2.769 -26.720 1.00 65.45 C ATOM 21 O ASP A 70 7.160 -3.502 -26.228 1.00 24.10 O ATOM 22 CB ASP A 70 3.986 -3.590 -26.253 1.00 21.10 C ATOM 23 CG ASP A 70 2.620 -3.904 -26.830 1.00 71.45 C ATOM 24 OD1 ASP A 70 2.433 -5.032 -27.332 1.00 15.14 O ATOM 25 OD2 ASP A 70 1.737 -3.022 -26.779 1.00 53.42 O1- ATOM 0 H ASP A 70 4.912 -5.428 -27.620 1.00 23.23 H new ATOM 0 HA ASP A 70 4.644 -2.641 -28.064 1.00 34.14 H new ATOM 0 HB2 ASP A 70 4.306 -4.413 -25.614 1.00 21.10 H new ATOM 0 HB3 ASP A 70 3.916 -2.705 -25.621 1.00 21.10 H new ATOM 30 N ASN A 71 6.414 -1.445 -26.749 1.00 22.14 N ATOM 31 CA ASN A 71 7.576 -0.762 -26.193 1.00 34.12 C ATOM 32 C ASN A 71 7.180 0.094 -24.994 1.00 4.12 C ATOM 33 O ASN A 71 6.093 0.670 -24.960 1.00 65.53 O ATOM 34 CB ASN A 71 8.240 0.110 -27.259 1.00 71.13 C ATOM 35 CG ASN A 71 9.404 0.912 -26.709 1.00 0.32 C ATOM 36 OD1 ASN A 71 9.332 2.135 -26.595 1.00 3.23 O ATOM 37 ND2 ASN A 71 10.486 0.221 -26.365 1.00 4.42 N ATOM 0 H ASN A 71 5.713 -0.823 -27.152 1.00 22.14 H new ATOM 0 HA ASN A 71 8.286 -1.519 -25.859 1.00 34.12 H new ATOM 0 HB2 ASN A 71 8.591 -0.522 -28.074 1.00 71.13 H new ATOM 0 HB3 ASN A 71 7.500 0.791 -27.680 1.00 71.13 H new ATOM 0 HD21 ASN A 71 11.302 0.704 -25.989 1.00 4.42 H new ATOM 0 HD22 ASN A 71 10.501 -0.793 -26.477 1.00 4.42 H new ATOM 44 N SER A 72 8.072 0.173 -24.010 1.00 3.04 N ATOM 45 CA SER A 72 7.815 0.956 -22.808 1.00 45.25 C ATOM 46 C SER A 72 8.180 2.421 -23.025 1.00 31.43 C ATOM 47 O SER A 72 8.880 2.763 -23.977 1.00 24.42 O ATOM 48 CB SER A 72 8.607 0.391 -21.626 1.00 33.44 C ATOM 49 OG SER A 72 9.950 0.841 -21.652 1.00 30.22 O ATOM 0 H SER A 72 8.978 -0.296 -24.023 1.00 3.04 H new ATOM 0 HA SER A 72 6.750 0.894 -22.585 1.00 45.25 H new ATOM 0 HB2 SER A 72 8.136 0.694 -20.691 1.00 33.44 H new ATOM 0 HB3 SER A 72 8.584 -0.698 -21.656 1.00 33.44 H new ATOM 0 HG SER A 72 10.435 0.468 -20.886 1.00 30.22 H new ATOM 55 N ALA A 73 7.701 3.283 -22.134 1.00 32.23 N ATOM 56 CA ALA A 73 7.977 4.711 -22.225 1.00 1.24 C ATOM 57 C ALA A 73 8.819 5.184 -21.046 1.00 73.54 C ATOM 58 O ALA A 73 8.844 4.547 -19.993 1.00 43.12 O ATOM 59 CB ALA A 73 6.676 5.497 -22.296 1.00 50.03 C ATOM 0 H ALA A 73 7.119 3.016 -21.340 1.00 32.23 H new ATOM 0 HA ALA A 73 8.546 4.888 -23.138 1.00 1.24 H new ATOM 0 HB1 ALA A 73 6.898 6.562 -22.364 1.00 50.03 H new ATOM 0 HB2 ALA A 73 6.111 5.187 -23.175 1.00 50.03 H new ATOM 0 HB3 ALA A 73 6.086 5.305 -21.400 1.00 50.03 H new ATOM 65 N SER A 74 9.510 6.305 -21.230 1.00 65.05 N ATOM 66 CA SER A 74 10.358 6.860 -20.181 1.00 24.22 C ATOM 67 C SER A 74 11.394 5.839 -19.722 1.00 51.35 C ATOM 68 O SER A 74 11.691 5.730 -18.532 1.00 13.12 O ATOM 69 CB SER A 74 9.507 7.310 -18.993 1.00 11.40 C ATOM 70 OG SER A 74 10.230 8.193 -18.152 1.00 64.15 O ATOM 0 H SER A 74 9.499 6.846 -22.095 1.00 65.05 H new ATOM 0 HA SER A 74 10.882 7.723 -20.591 1.00 24.22 H new ATOM 0 HB2 SER A 74 8.605 7.804 -19.354 1.00 11.40 H new ATOM 0 HB3 SER A 74 9.186 6.439 -18.421 1.00 11.40 H new ATOM 0 HG SER A 74 11.064 7.765 -17.868 1.00 64.15 H new ATOM 76 N LYS A 75 11.942 5.092 -20.675 1.00 51.20 N ATOM 77 CA LYS A 75 12.947 4.080 -20.372 1.00 61.13 C ATOM 78 C LYS A 75 14.114 4.686 -19.599 1.00 14.21 C ATOM 79 O LYS A 75 14.402 5.876 -19.725 1.00 53.03 O ATOM 80 CB LYS A 75 13.455 3.434 -21.662 1.00 4.54 C ATOM 81 CG LYS A 75 14.152 4.408 -22.596 1.00 70.10 C ATOM 82 CD LYS A 75 13.197 4.956 -23.644 1.00 22.54 C ATOM 83 CE LYS A 75 13.944 5.464 -24.868 1.00 42.01 C ATOM 84 NZ LYS A 75 13.064 6.266 -25.761 1.00 3.24 N1+ ATOM 0 H LYS A 75 11.707 5.169 -21.664 1.00 51.20 H new ATOM 0 HA LYS A 75 12.481 3.316 -19.750 1.00 61.13 H new ATOM 0 HB2 LYS A 75 14.145 2.630 -21.408 1.00 4.54 H new ATOM 0 HB3 LYS A 75 12.615 2.979 -22.186 1.00 4.54 H new ATOM 0 HG2 LYS A 75 14.571 5.232 -22.018 1.00 70.10 H new ATOM 0 HG3 LYS A 75 14.986 3.908 -23.088 1.00 70.10 H new ATOM 0 HD2 LYS A 75 12.496 4.176 -23.942 1.00 22.54 H new ATOM 0 HD3 LYS A 75 12.609 5.766 -23.213 1.00 22.54 H new ATOM 0 HE2 LYS A 75 14.790 6.073 -24.550 1.00 42.01 H new ATOM 0 HE3 LYS A 75 14.350 4.618 -25.423 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 13.610 6.594 -26.583 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 12.270 5.678 -26.085 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 12.696 7.087 -25.240 1.00 3.24 H new ATOM 98 N ASN A 76 14.783 3.859 -18.802 1.00 3.42 N ATOM 99 CA ASN A 76 15.921 4.315 -18.011 1.00 15.21 C ATOM 100 C ASN A 76 16.592 3.144 -17.299 1.00 1.14 C ATOM 101 O ASN A 76 15.927 2.329 -16.660 1.00 24.43 O ATOM 102 CB ASN A 76 15.471 5.358 -16.987 1.00 52.35 C ATOM 103 CG ASN A 76 14.588 4.764 -15.905 1.00 1.44 C ATOM 104 OD1 ASN A 76 15.058 4.436 -14.816 1.00 51.55 O ATOM 105 ND2 ASN A 76 13.302 4.623 -16.202 1.00 51.31 N ATOM 0 H ASN A 76 14.557 2.871 -18.687 1.00 3.42 H new ATOM 0 HA ASN A 76 16.644 4.769 -18.688 1.00 15.21 H new ATOM 0 HB2 ASN A 76 16.348 5.813 -16.527 1.00 52.35 H new ATOM 0 HB3 ASN A 76 14.929 6.154 -17.498 1.00 52.35 H new ATOM 0 HD21 ASN A 76 12.660 4.229 -15.514 1.00 51.31 H new ATOM 0 HD22 ASN A 76 12.956 4.909 -17.118 1.00 51.31 H new ATOM 112 N SER A 77 17.913 3.067 -17.414 1.00 4.44 N ATOM 113 CA SER A 77 18.676 1.995 -16.784 1.00 12.05 C ATOM 114 C SER A 77 20.134 2.400 -16.600 1.00 25.02 C ATOM 115 O SER A 77 20.808 2.787 -17.555 1.00 34.10 O ATOM 116 CB SER A 77 18.591 0.719 -17.626 1.00 2.00 C ATOM 117 OG SER A 77 17.343 0.628 -18.291 1.00 22.15 O ATOM 0 H SER A 77 18.479 3.735 -17.938 1.00 4.44 H new ATOM 0 HA SER A 77 18.245 1.804 -15.801 1.00 12.05 H new ATOM 0 HB2 SER A 77 19.398 0.709 -18.358 1.00 2.00 H new ATOM 0 HB3 SER A 77 18.730 -0.152 -16.986 1.00 2.00 H new ATOM 0 HG SER A 77 17.315 -0.195 -18.823 1.00 22.15 H new ATOM 123 N ALA A 78 20.616 2.308 -15.366 1.00 22.23 N ATOM 124 CA ALA A 78 21.994 2.664 -15.055 1.00 11.51 C ATOM 125 C ALA A 78 22.902 1.439 -15.109 1.00 34.52 C ATOM 126 O ALA A 78 23.057 0.725 -14.117 1.00 71.44 O ATOM 127 CB ALA A 78 22.074 3.321 -13.685 1.00 23.42 C ATOM 0 H ALA A 78 20.072 1.989 -14.564 1.00 22.23 H new ATOM 0 HA ALA A 78 22.338 3.374 -15.807 1.00 11.51 H new ATOM 0 HB1 ALA A 78 23.110 3.581 -13.466 1.00 23.42 H new ATOM 0 HB2 ALA A 78 21.464 4.224 -13.678 1.00 23.42 H new ATOM 0 HB3 ALA A 78 21.706 2.629 -12.928 1.00 23.42 H new ATOM 133 N ILE A 79 23.500 1.203 -16.272 1.00 74.14 N ATOM 134 CA ILE A 79 24.392 0.065 -16.454 1.00 71.01 C ATOM 135 C ILE A 79 25.511 0.395 -17.436 1.00 71.13 C ATOM 136 O ILE A 79 25.268 0.599 -18.625 1.00 10.44 O ATOM 137 CB ILE A 79 23.629 -1.174 -16.962 1.00 31.22 C ATOM 138 CG1 ILE A 79 22.451 -1.487 -16.037 1.00 14.41 C ATOM 139 CG2 ILE A 79 24.565 -2.369 -17.060 1.00 3.00 C ATOM 140 CD1 ILE A 79 21.629 -2.675 -16.487 1.00 1.13 C ATOM 0 H ILE A 79 23.383 1.785 -17.102 1.00 74.14 H new ATOM 0 HA ILE A 79 24.822 -0.158 -15.477 1.00 71.01 H new ATOM 0 HB ILE A 79 23.239 -0.961 -17.957 1.00 31.22 H new ATOM 0 HG12 ILE A 79 22.829 -1.676 -15.032 1.00 14.41 H new ATOM 0 HG13 ILE A 79 21.805 -0.611 -15.975 1.00 14.41 H new ATOM 0 HG21 ILE A 79 24.011 -3.236 -17.420 1.00 3.00 H new ATOM 0 HG22 ILE A 79 25.374 -2.141 -17.754 1.00 3.00 H new ATOM 0 HG23 ILE A 79 24.981 -2.587 -16.076 1.00 3.00 H new ATOM 0 HD11 ILE A 79 20.812 -2.839 -15.785 1.00 1.13 H new ATOM 0 HD12 ILE A 79 21.222 -2.481 -17.479 1.00 1.13 H new ATOM 0 HD13 ILE A 79 22.261 -3.562 -16.522 1.00 1.13 H new ATOM 152 N SER A 80 26.739 0.445 -16.930 1.00 54.20 N ATOM 153 CA SER A 80 27.897 0.753 -17.761 1.00 1.35 C ATOM 154 C SER A 80 28.210 -0.404 -18.705 1.00 11.25 C ATOM 155 O SER A 80 27.944 -0.330 -19.905 1.00 61.02 O ATOM 156 CB SER A 80 29.115 1.056 -16.886 1.00 45.00 C ATOM 157 OG SER A 80 29.125 0.240 -15.728 1.00 4.14 O ATOM 0 H SER A 80 26.958 0.276 -15.948 1.00 54.20 H new ATOM 0 HA SER A 80 27.661 1.634 -18.358 1.00 1.35 H new ATOM 0 HB2 SER A 80 30.028 0.892 -17.458 1.00 45.00 H new ATOM 0 HB3 SER A 80 29.106 2.106 -16.595 1.00 45.00 H new ATOM 0 HG SER A 80 29.914 0.451 -15.186 1.00 4.14 H new ATOM 163 N SER A 81 28.778 -1.472 -18.155 1.00 72.10 N ATOM 164 CA SER A 81 29.132 -2.644 -18.947 1.00 3.34 C ATOM 165 C SER A 81 27.881 -3.342 -19.472 1.00 74.11 C ATOM 166 O SER A 81 27.258 -4.135 -18.767 1.00 52.22 O ATOM 167 CB SER A 81 29.963 -3.620 -18.112 1.00 32.25 C ATOM 168 OG SER A 81 30.834 -4.379 -18.930 1.00 4.53 O ATOM 0 H SER A 81 29.003 -1.550 -17.163 1.00 72.10 H new ATOM 0 HA SER A 81 29.726 -2.311 -19.798 1.00 3.34 H new ATOM 0 HB2 SER A 81 30.543 -3.068 -17.372 1.00 32.25 H new ATOM 0 HB3 SER A 81 29.300 -4.289 -17.563 1.00 32.25 H new ATOM 0 HG SER A 81 31.355 -4.993 -18.372 1.00 4.53 H new ATOM 174 N SER A 82 27.521 -3.043 -20.716 1.00 64.12 N ATOM 175 CA SER A 82 26.343 -3.639 -21.335 1.00 73.52 C ATOM 176 C SER A 82 26.289 -3.313 -22.825 1.00 10.43 C ATOM 177 O SER A 82 27.177 -2.648 -23.358 1.00 22.43 O ATOM 178 CB SER A 82 25.071 -3.141 -20.646 1.00 44.04 C ATOM 179 OG SER A 82 24.766 -3.928 -19.508 1.00 54.11 O ATOM 0 H SER A 82 28.028 -2.392 -21.315 1.00 64.12 H new ATOM 0 HA SER A 82 26.410 -4.721 -21.219 1.00 73.52 H new ATOM 0 HB2 SER A 82 25.198 -2.100 -20.349 1.00 44.04 H new ATOM 0 HB3 SER A 82 24.237 -3.172 -21.348 1.00 44.04 H new ATOM 0 HG SER A 82 25.588 -4.335 -19.162 1.00 54.11 H new ATOM 185 N ILE A 83 25.240 -3.786 -23.489 1.00 3.54 N ATOM 186 CA ILE A 83 25.068 -3.545 -24.916 1.00 1.04 C ATOM 187 C ILE A 83 25.200 -2.061 -25.242 1.00 52.44 C ATOM 188 O ILE A 83 25.670 -1.690 -26.318 1.00 74.14 O ATOM 189 CB ILE A 83 23.700 -4.048 -25.412 1.00 20.12 C ATOM 190 CG1 ILE A 83 23.641 -4.011 -26.940 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.579 -3.210 -24.813 1.00 13.24 C ATOM 192 CD1 ILE A 83 24.240 -5.235 -27.598 1.00 71.04 C ATOM 0 H ILE A 83 24.497 -4.338 -23.062 1.00 3.54 H new ATOM 0 HA ILE A 83 25.856 -4.099 -25.427 1.00 1.04 H new ATOM 0 HB ILE A 83 23.570 -5.080 -25.087 1.00 20.12 H new ATOM 0 HG12 ILE A 83 22.602 -3.912 -27.253 1.00 73.13 H new ATOM 0 HG13 ILE A 83 24.166 -3.124 -27.294 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.618 -3.577 -25.173 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.611 -3.283 -23.726 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.704 -2.169 -25.111 1.00 13.24 H new ATOM 0 HD11 ILE A 83 24.164 -5.140 -28.681 1.00 71.04 H new ATOM 0 HD12 ILE A 83 25.289 -5.324 -27.315 1.00 71.04 H new ATOM 0 HD13 ILE A 83 23.700 -6.124 -27.273 1.00 71.04 H new ATOM 204 N PHE A 84 24.783 -1.215 -24.306 1.00 22.43 N ATOM 205 CA PHE A 84 24.856 0.229 -24.493 1.00 52.22 C ATOM 206 C PHE A 84 26.258 0.653 -24.920 1.00 1.23 C ATOM 207 O PHE A 84 26.424 1.584 -25.708 1.00 0.11 O ATOM 208 CB PHE A 84 24.463 0.952 -23.204 1.00 51.20 C ATOM 209 CG PHE A 84 23.147 0.499 -22.639 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.091 -0.165 -21.425 1.00 24.13 C ATOM 211 CD2 PHE A 84 21.965 0.737 -23.323 1.00 23.11 C ATOM 212 CE1 PHE A 84 21.881 -0.584 -20.902 1.00 43.41 C ATOM 213 CE2 PHE A 84 20.753 0.321 -22.806 1.00 3.54 C ATOM 214 CZ PHE A 84 20.712 -0.341 -21.595 1.00 63.45 C ATOM 0 H PHE A 84 24.391 -1.505 -23.410 1.00 22.43 H new ATOM 0 HA PHE A 84 24.157 0.503 -25.283 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.242 0.797 -22.458 1.00 51.20 H new ATOM 0 HB3 PHE A 84 24.416 2.024 -23.398 1.00 51.20 H new ATOM 0 HD1 PHE A 84 24.003 -0.358 -20.880 1.00 24.13 H new ATOM 0 HD2 PHE A 84 21.992 1.254 -24.271 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.851 -1.100 -19.954 1.00 43.41 H new ATOM 0 HE2 PHE A 84 19.839 0.513 -23.348 1.00 3.54 H new ATOM 0 HZ PHE A 84 19.766 -0.669 -21.190 1.00 63.45 H new ATOM 224 N CYS A 85 27.264 -0.037 -24.393 1.00 41.44 N ATOM 225 CA CYS A 85 28.653 0.267 -24.717 1.00 10.24 C ATOM 226 C CYS A 85 28.934 0.016 -26.196 1.00 23.33 C ATOM 227 O CYS A 85 29.570 0.831 -26.863 1.00 44.32 O ATOM 228 CB CYS A 85 29.596 -0.574 -23.856 1.00 12.32 C ATOM 229 SG CYS A 85 31.349 -0.216 -24.115 1.00 24.32 S ATOM 0 H CYS A 85 27.143 -0.811 -23.739 1.00 41.44 H new ATOM 0 HA CYS A 85 28.826 1.322 -24.507 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.354 -0.411 -22.806 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.417 -1.629 -24.064 1.00 12.32 H new ATOM 0 HG CYS A 85 32.066 -0.976 -23.341 1.00 24.32 H new ATOM 235 N GLU A 86 28.457 -1.118 -26.699 1.00 41.31 N ATOM 236 CA GLU A 86 28.659 -1.477 -28.097 1.00 23.33 C ATOM 237 C GLU A 86 28.204 -0.350 -29.020 1.00 54.43 C ATOM 238 O GLU A 86 28.714 -0.196 -30.129 1.00 14.41 O ATOM 239 CB GLU A 86 27.900 -2.763 -28.431 1.00 70.34 C ATOM 240 CG GLU A 86 28.367 -3.429 -29.716 1.00 12.31 C ATOM 241 CD GLU A 86 27.661 -4.745 -29.980 1.00 71.01 C ATOM 242 OE1 GLU A 86 26.615 -4.730 -30.661 1.00 12.02 O ATOM 243 OE2 GLU A 86 28.156 -5.789 -29.505 1.00 72.23 O1- ATOM 0 H GLU A 86 27.928 -1.803 -26.159 1.00 41.31 H new ATOM 0 HA GLU A 86 29.725 -1.642 -28.253 1.00 23.33 H new ATOM 0 HB2 GLU A 86 28.012 -3.466 -27.606 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.837 -2.536 -28.514 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.195 -2.754 -30.554 1.00 12.31 H new ATOM 0 HG3 GLU A 86 29.442 -3.602 -29.662 1.00 12.31 H new ATOM 250 N LYS A 87 27.239 0.436 -28.553 1.00 3.45 N ATOM 251 CA LYS A 87 26.714 1.549 -29.333 1.00 44.40 C ATOM 252 C LYS A 87 27.846 2.432 -29.851 1.00 54.55 C ATOM 253 O LYS A 87 27.710 3.087 -30.884 1.00 13.23 O ATOM 254 CB LYS A 87 25.749 2.382 -28.486 1.00 41.11 C ATOM 255 CG LYS A 87 24.577 1.586 -27.940 1.00 30.21 C ATOM 256 CD LYS A 87 23.436 1.516 -28.941 1.00 62.43 C ATOM 257 CE LYS A 87 22.222 0.812 -28.354 1.00 44.42 C ATOM 258 NZ LYS A 87 22.347 -0.670 -28.436 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.805 0.322 -27.637 1.00 3.45 H new ATOM 0 HA LYS A 87 26.176 1.140 -30.188 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.297 2.823 -27.653 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.368 3.206 -29.089 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.906 0.577 -27.691 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.224 2.044 -27.016 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.159 2.524 -29.250 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.767 0.988 -29.835 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.098 1.109 -27.313 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.325 1.131 -28.885 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 21.500 -1.113 -28.026 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 22.440 -0.956 -29.432 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 23.189 -0.977 -27.908 1.00 70.52 H new ATOM 272 N TYR A 88 28.959 2.444 -29.127 1.00 73.21 N ATOM 273 CA TYR A 88 30.112 3.248 -29.512 1.00 74.10 C ATOM 274 C TYR A 88 30.460 3.032 -30.982 1.00 50.10 C ATOM 275 O TYR A 88 30.951 3.937 -31.657 1.00 0.51 O ATOM 276 CB TYR A 88 31.317 2.901 -28.636 1.00 0.31 C ATOM 277 CG TYR A 88 32.133 1.741 -29.159 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.612 0.452 -29.176 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.424 1.932 -29.635 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.353 -0.611 -29.651 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.172 0.874 -30.115 1.00 45.43 C ATOM 282 CZ TYR A 88 33.633 -0.395 -30.120 1.00 51.51 C ATOM 283 OH TYR A 88 34.376 -1.452 -30.596 1.00 33.11 O ATOM 0 H TYR A 88 29.087 1.906 -28.270 1.00 73.21 H new ATOM 0 HA TYR A 88 29.856 4.298 -29.368 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.959 3.778 -28.553 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.968 2.665 -27.631 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.610 0.280 -28.811 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.850 2.924 -29.630 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.934 -1.606 -29.656 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.173 1.040 -30.484 1.00 45.43 H new ATOM 0 HH TYR A 88 35.254 -1.129 -30.889 1.00 33.11 H new ATOM 293 N LYS A 89 30.200 1.825 -31.474 1.00 34.53 N ATOM 294 CA LYS A 89 30.482 1.487 -32.863 1.00 32.43 C ATOM 295 C LYS A 89 29.565 2.258 -33.808 1.00 22.43 C ATOM 296 O LYS A 89 30.030 3.009 -34.664 1.00 3.10 O ATOM 297 CB LYS A 89 30.315 -0.017 -33.088 1.00 53.34 C ATOM 298 CG LYS A 89 31.110 -0.547 -34.269 1.00 63.43 C ATOM 299 CD LYS A 89 30.299 -0.503 -35.553 1.00 14.45 C ATOM 300 CE LYS A 89 29.271 -1.623 -35.603 1.00 72.22 C ATOM 301 NZ LYS A 89 28.383 -1.509 -36.792 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.794 1.064 -30.930 1.00 34.53 H new ATOM 0 HA LYS A 89 31.513 1.768 -33.076 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.622 -0.547 -32.187 1.00 53.34 H new ATOM 0 HB3 LYS A 89 29.259 -0.238 -33.243 1.00 53.34 H new ATOM 0 HG2 LYS A 89 32.018 0.043 -34.391 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.420 -1.573 -34.069 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.794 0.460 -35.632 1.00 14.45 H new ATOM 0 HD3 LYS A 89 30.968 -0.583 -36.410 1.00 14.45 H new ATOM 0 HE2 LYS A 89 29.783 -2.585 -35.623 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.667 -1.602 -34.696 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 27.697 -2.291 -36.789 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 27.875 -0.602 -36.760 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 28.956 -1.554 -37.659 1.00 43.33 H new ATOM 315 N GLN A 90 28.259 2.067 -33.643 1.00 2.13 N ATOM 316 CA GLN A 90 27.277 2.745 -34.482 1.00 14.13 C ATOM 317 C GLN A 90 27.463 4.258 -34.422 1.00 2.13 C ATOM 318 O GLN A 90 27.337 4.950 -35.433 1.00 41.43 O ATOM 319 CB GLN A 90 25.859 2.376 -34.043 1.00 44.13 C ATOM 320 CG GLN A 90 25.091 1.573 -35.081 1.00 72.41 C ATOM 321 CD GLN A 90 23.596 1.573 -34.829 1.00 65.22 C ATOM 322 OE1 GLN A 90 22.893 2.516 -35.196 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.102 0.513 -34.201 1.00 61.02 N ATOM 0 H GLN A 90 27.857 1.450 -32.937 1.00 2.13 H new ATOM 0 HA GLN A 90 27.428 2.419 -35.511 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.912 1.802 -33.118 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.307 3.289 -33.821 1.00 44.13 H new ATOM 0 HG2 GLN A 90 25.289 1.983 -36.071 1.00 72.41 H new ATOM 0 HG3 GLN A 90 25.455 0.546 -35.083 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.722 -0.245 -33.915 1.00 61.02 H new ATOM 0 HE22 GLN A 90 22.103 0.457 -34.004 1.00 61.02 H new ATOM 332 N THR A 91 27.762 4.766 -33.231 1.00 22.11 N ATOM 333 CA THR A 91 27.963 6.196 -33.038 1.00 23.40 C ATOM 334 C THR A 91 29.160 6.696 -33.841 1.00 53.31 C ATOM 335 O THR A 91 29.042 7.629 -34.635 1.00 13.14 O ATOM 336 CB THR A 91 28.176 6.539 -31.552 1.00 43.34 C ATOM 337 OG1 THR A 91 29.372 5.915 -31.071 1.00 21.23 O ATOM 338 CG2 THR A 91 26.990 6.084 -30.716 1.00 21.32 C ATOM 0 H THR A 91 27.870 4.207 -32.385 1.00 22.11 H new ATOM 0 HA THR A 91 27.059 6.692 -33.391 1.00 23.40 H new ATOM 0 HB THR A 91 28.270 7.621 -31.462 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.605 6.286 -30.194 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.164 6.337 -29.670 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.086 6.583 -31.065 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.869 5.005 -30.813 1.00 21.32 H new ATOM 346 N LYS A 92 30.312 6.069 -33.627 1.00 31.12 N ATOM 347 CA LYS A 92 31.531 6.447 -34.332 1.00 63.03 C ATOM 348 C LYS A 92 31.308 6.456 -35.841 1.00 75.23 C ATOM 349 O LYS A 92 31.661 7.417 -36.524 1.00 51.33 O ATOM 350 CB LYS A 92 32.668 5.486 -33.979 1.00 4.45 C ATOM 351 CG LYS A 92 34.017 6.169 -33.826 1.00 1.42 C ATOM 352 CD LYS A 92 34.228 6.675 -32.409 1.00 63.25 C ATOM 353 CE LYS A 92 35.702 6.904 -32.113 1.00 65.32 C ATOM 354 NZ LYS A 92 36.493 5.648 -32.230 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.427 5.297 -32.971 1.00 31.12 H new ATOM 0 HA LYS A 92 31.804 7.454 -34.018 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.423 4.972 -33.049 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.742 4.724 -34.755 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.812 5.469 -34.086 1.00 1.42 H new ATOM 0 HG3 LYS A 92 34.085 7.003 -34.525 1.00 1.42 H new ATOM 0 HD2 LYS A 92 33.679 7.606 -32.268 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.821 5.954 -31.700 1.00 63.25 H new ATOM 0 HE2 LYS A 92 36.099 7.649 -32.802 1.00 65.32 H new ATOM 0 HE3 LYS A 92 35.812 7.310 -31.107 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 37.339 5.713 -31.629 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 35.912 4.842 -31.923 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.781 5.510 -33.220 1.00 44.20 H new ATOM 368 N GLU A 93 30.718 5.380 -36.352 1.00 42.21 N ATOM 369 CA GLU A 93 30.448 5.265 -37.781 1.00 71.42 C ATOM 370 C GLU A 93 29.546 6.401 -38.257 1.00 60.11 C ATOM 371 O GLU A 93 29.796 7.011 -39.296 1.00 73.42 O ATOM 372 CB GLU A 93 29.796 3.917 -38.092 1.00 74.41 C ATOM 373 CG GLU A 93 29.791 3.570 -39.572 1.00 73.24 C ATOM 374 CD GLU A 93 28.691 2.594 -39.939 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.529 3.031 -40.076 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.992 1.391 -40.088 1.00 60.10 O1- ATOM 0 H GLU A 93 30.418 4.577 -35.799 1.00 42.21 H new ATOM 0 HA GLU A 93 31.398 5.332 -38.311 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.322 3.134 -37.546 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.769 3.927 -37.726 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.671 4.483 -40.155 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.756 3.143 -39.844 1.00 73.24 H new ATOM 383 N GLN A 94 28.497 6.677 -37.489 1.00 40.54 N ATOM 384 CA GLN A 94 27.558 7.738 -37.832 1.00 30.21 C ATOM 385 C GLN A 94 28.260 9.092 -37.884 1.00 52.42 C ATOM 386 O GLN A 94 27.912 9.951 -38.692 1.00 15.43 O ATOM 387 CB GLN A 94 26.414 7.784 -36.819 1.00 23.31 C ATOM 388 CG GLN A 94 25.208 6.952 -37.225 1.00 1.33 C ATOM 389 CD GLN A 94 24.006 7.192 -36.334 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.225 8.117 -36.561 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.849 6.359 -35.312 1.00 14.24 N ATOM 0 H GLN A 94 28.276 6.181 -36.626 1.00 40.54 H new ATOM 0 HA GLN A 94 27.151 7.521 -38.820 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.780 7.432 -35.854 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.102 8.819 -36.683 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.943 7.183 -38.257 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.473 5.895 -37.194 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.520 5.606 -35.160 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.058 6.472 -34.679 1.00 14.24 H new ATOM 400 N ALA A 95 29.251 9.272 -37.017 1.00 25.00 N ATOM 401 CA ALA A 95 30.003 10.521 -36.965 1.00 45.15 C ATOM 402 C ALA A 95 30.867 10.692 -38.211 1.00 70.10 C ATOM 403 O ALA A 95 30.696 11.647 -38.970 1.00 11.14 O ATOM 404 CB ALA A 95 30.864 10.566 -35.712 1.00 72.43 C ATOM 0 H ALA A 95 29.552 8.570 -36.341 1.00 25.00 H new ATOM 0 HA ALA A 95 29.291 11.346 -36.932 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.420 11.503 -35.686 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.227 10.497 -34.830 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.563 9.730 -35.721 1.00 72.43 H new ATOM 410 N LEU A 96 31.795 9.763 -38.413 1.00 21.34 N ATOM 411 CA LEU A 96 32.687 9.812 -39.566 1.00 71.41 C ATOM 412 C LEU A 96 31.893 9.902 -40.865 1.00 65.14 C ATOM 413 O LEU A 96 32.312 10.561 -41.818 1.00 60.24 O ATOM 414 CB LEU A 96 33.589 8.577 -39.591 1.00 41.41 C ATOM 415 CG LEU A 96 32.886 7.229 -39.422 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.493 6.659 -40.776 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.778 6.255 -38.668 1.00 62.41 C ATOM 0 H LEU A 96 31.949 8.967 -37.794 1.00 21.34 H new ATOM 0 HA LEU A 96 33.306 10.705 -39.477 1.00 71.41 H new ATOM 0 HB2 LEU A 96 34.130 8.566 -40.537 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.332 8.678 -38.800 1.00 41.41 H new ATOM 0 HG LEU A 96 31.978 7.384 -38.840 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.994 5.700 -40.636 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.817 7.350 -41.279 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.386 6.518 -41.385 1.00 0.51 H new ATOM 0 HD21 LEU A 96 33.263 5.301 -38.557 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.704 6.105 -39.224 1.00 62.41 H new ATOM 0 HD23 LEU A 96 34.008 6.660 -37.683 1.00 62.41 H new ATOM 429 N THR A 97 30.742 9.237 -40.897 1.00 53.12 N ATOM 430 CA THR A 97 29.889 9.243 -42.078 1.00 4.23 C ATOM 431 C THR A 97 29.300 10.627 -42.325 1.00 42.31 C ATOM 432 O THR A 97 29.287 11.115 -43.455 1.00 43.35 O ATOM 433 CB THR A 97 28.740 8.224 -41.947 1.00 75.23 C ATOM 434 OG1 THR A 97 28.110 8.359 -40.668 1.00 52.14 O ATOM 435 CG2 THR A 97 29.256 6.804 -42.117 1.00 3.45 C ATOM 0 H THR A 97 30.380 8.687 -40.118 1.00 53.12 H new ATOM 0 HA THR A 97 30.518 8.963 -42.923 1.00 4.23 H new ATOM 0 HB THR A 97 28.012 8.426 -42.733 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.477 7.693 -40.050 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.428 6.102 -42.021 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.709 6.697 -43.102 1.00 3.45 H new ATOM 0 HG23 THR A 97 30.001 6.593 -41.350 1.00 3.45 H new ATOM 443 N PHE A 98 28.813 11.256 -41.261 1.00 64.32 N ATOM 444 CA PHE A 98 28.221 12.584 -41.362 1.00 20.12 C ATOM 445 C PHE A 98 29.294 13.639 -41.619 1.00 70.44 C ATOM 446 O PHE A 98 29.024 14.683 -42.213 1.00 24.53 O ATOM 447 CB PHE A 98 27.454 12.923 -40.081 1.00 4.32 C ATOM 448 CG PHE A 98 28.001 14.118 -39.353 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.640 15.401 -39.731 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.876 13.957 -38.292 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.140 16.502 -39.064 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.380 15.055 -37.619 1.00 2.32 C ATOM 453 CZ PHE A 98 29.013 16.329 -38.006 1.00 14.52 C ATOM 0 H PHE A 98 28.817 10.867 -40.318 1.00 64.32 H new ATOM 0 HA PHE A 98 27.528 12.582 -42.203 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.409 13.107 -40.331 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.476 12.060 -39.415 1.00 4.32 H new ATOM 0 HD1 PHE A 98 26.959 15.542 -40.557 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.168 12.963 -37.987 1.00 24.22 H new ATOM 0 HE1 PHE A 98 27.850 17.497 -39.368 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.060 14.916 -36.791 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.407 17.188 -37.483 1.00 14.52 H new ATOM 463 N PHE A 99 30.511 13.358 -41.168 1.00 61.53 N ATOM 464 CA PHE A 99 31.626 14.282 -41.346 1.00 61.41 C ATOM 465 C PHE A 99 32.267 14.099 -42.719 1.00 60.30 C ATOM 466 O PHE A 99 32.744 15.060 -43.324 1.00 64.11 O ATOM 467 CB PHE A 99 32.672 14.072 -40.250 1.00 43.00 C ATOM 468 CG PHE A 99 33.903 14.913 -40.427 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.124 14.325 -40.716 1.00 21.55 C ATOM 470 CD2 PHE A 99 33.840 16.291 -40.304 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.260 15.096 -40.880 1.00 40.42 C ATOM 472 CE2 PHE A 99 34.972 17.068 -40.468 1.00 44.24 C ATOM 473 CZ PHE A 99 36.183 16.470 -40.755 1.00 54.34 C ATOM 0 H PHE A 99 30.751 12.497 -40.676 1.00 61.53 H new ATOM 0 HA PHE A 99 31.238 15.298 -41.276 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.223 14.298 -39.283 1.00 43.00 H new ATOM 0 HB3 PHE A 99 32.960 13.021 -40.230 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.189 13.251 -40.814 1.00 21.55 H new ATOM 0 HD2 PHE A 99 32.896 16.764 -40.077 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.206 14.625 -41.105 1.00 40.42 H new ATOM 0 HE2 PHE A 99 34.909 18.142 -40.372 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.069 17.075 -40.882 1.00 54.34 H new ATOM 483 N GLN A 100 32.276 12.861 -43.202 1.00 31.14 N ATOM 484 CA GLN A 100 32.861 12.553 -44.502 1.00 2.22 C ATOM 485 C GLN A 100 31.872 12.844 -45.625 1.00 64.05 C ATOM 486 O GLN A 100 32.257 13.307 -46.699 1.00 14.00 O ATOM 487 CB GLN A 100 33.294 11.088 -44.554 1.00 53.03 C ATOM 488 CG GLN A 100 34.567 10.801 -43.773 1.00 64.35 C ATOM 489 CD GLN A 100 34.935 9.331 -43.776 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.990 8.943 -44.278 1.00 24.00 O ATOM 491 NE2 GLN A 100 34.064 8.501 -43.212 1.00 14.41 N ATOM 0 H GLN A 100 31.885 12.055 -42.713 1.00 31.14 H new ATOM 0 HA GLN A 100 33.736 13.188 -44.640 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.489 10.466 -44.162 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.443 10.799 -45.594 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.388 11.378 -44.199 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.441 11.138 -42.744 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.201 8.865 -42.807 1.00 14.41 H new ATOM 0 HE22 GLN A 100 34.258 7.500 -43.184 1.00 14.41 H new ATOM 500 N GLU A 101 30.596 12.569 -45.371 1.00 35.51 N ATOM 501 CA GLU A 101 29.553 12.801 -46.363 1.00 4.42 C ATOM 502 C GLU A 101 29.237 14.289 -46.484 1.00 73.11 C ATOM 503 O GLU A 101 29.026 14.803 -47.583 1.00 13.41 O ATOM 504 CB GLU A 101 28.285 12.028 -45.992 1.00 74.32 C ATOM 505 CG GLU A 101 27.227 12.037 -47.083 1.00 62.12 C ATOM 506 CD GLU A 101 26.103 11.055 -46.812 1.00 61.35 C ATOM 507 OE1 GLU A 101 26.088 9.979 -47.447 1.00 22.34 O ATOM 508 OE2 GLU A 101 25.238 11.363 -45.966 1.00 61.22 O1- ATOM 0 H GLU A 101 30.260 12.186 -44.487 1.00 35.51 H new ATOM 0 HA GLU A 101 29.919 12.446 -47.326 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.552 10.996 -45.765 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.862 12.455 -45.083 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.813 13.041 -47.175 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.693 11.796 -48.038 1.00 62.12 H new ATOM 515 N HIS A 102 29.208 14.976 -45.347 1.00 15.43 N ATOM 516 CA HIS A 102 28.918 16.406 -45.324 1.00 21.40 C ATOM 517 C HIS A 102 29.993 17.165 -44.552 1.00 72.54 C ATOM 518 O HIS A 102 29.743 17.738 -43.492 1.00 40.35 O ATOM 519 CB HIS A 102 27.548 16.660 -44.697 1.00 2.24 C ATOM 520 CG HIS A 102 26.424 16.653 -45.687 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.319 17.569 -46.712 1.00 73.30 N ATOM 522 CD2 HIS A 102 25.354 15.832 -45.807 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.233 17.314 -47.418 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.629 16.265 -46.891 1.00 62.12 N ATOM 0 H HIS A 102 29.382 14.566 -44.429 1.00 15.43 H new ATOM 0 HA HIS A 102 28.910 16.767 -46.352 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.358 15.900 -43.939 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.565 17.623 -44.186 1.00 2.24 H new ATOM 0 HD2 HIS A 102 25.115 14.993 -45.170 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.896 17.869 -48.281 1.00 44.23 H new ATOM 0 HE2 HIS A 102 23.765 15.844 -47.233 1.00 62.12 H new ATOM 533 N PRO A 103 31.220 17.171 -45.096 1.00 40.25 N ATOM 534 CA PRO A 103 32.357 17.857 -44.474 1.00 34.11 C ATOM 535 C PRO A 103 32.219 19.375 -44.528 1.00 22.13 C ATOM 536 O PRO A 103 32.875 20.037 -45.331 1.00 74.22 O ATOM 537 CB PRO A 103 33.550 17.398 -45.317 1.00 54.42 C ATOM 538 CG PRO A 103 32.967 17.047 -46.641 1.00 30.51 C ATOM 539 CD PRO A 103 31.590 16.510 -46.357 1.00 20.03 C ATOM 0 HA PRO A 103 32.448 17.618 -43.414 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.296 18.187 -45.410 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.048 16.541 -44.864 1.00 54.42 H new ATOM 0 HG2 PRO A 103 32.919 17.921 -47.291 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.578 16.303 -47.152 1.00 30.51 H new ATOM 0 HD2 PRO A 103 30.891 16.752 -47.158 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.595 15.425 -46.256 1.00 20.03 H new ATOM 547 N GLN A 104 31.362 19.917 -43.670 1.00 53.52 N ATOM 548 CA GLN A 104 31.139 21.357 -43.621 1.00 32.12 C ATOM 549 C GLN A 104 32.233 22.051 -42.815 1.00 3.31 C ATOM 550 O GLN A 104 32.580 23.201 -43.083 1.00 4.35 O ATOM 551 CB GLN A 104 29.770 21.662 -43.010 1.00 52.22 C ATOM 552 CG GLN A 104 28.642 20.831 -43.601 1.00 72.42 C ATOM 553 CD GLN A 104 27.275 21.425 -43.327 1.00 53.42 C ATOM 554 OE1 GLN A 104 26.502 21.683 -44.250 1.00 50.22 O ATOM 555 NE2 GLN A 104 26.968 21.645 -42.054 1.00 43.34 N ATOM 0 H GLN A 104 30.811 19.381 -42.999 1.00 53.52 H new ATOM 0 HA GLN A 104 31.167 21.738 -44.642 1.00 32.12 H new ATOM 0 HB2 GLN A 104 29.814 21.488 -41.935 1.00 52.22 H new ATOM 0 HB3 GLN A 104 29.545 22.719 -43.153 1.00 52.22 H new ATOM 0 HG2 GLN A 104 28.786 20.743 -44.678 1.00 72.42 H new ATOM 0 HG3 GLN A 104 28.685 19.822 -43.190 1.00 72.42 H new ATOM 0 HE21 GLN A 104 27.639 21.416 -41.321 1.00 43.34 H new ATOM 0 HE22 GLN A 104 26.061 22.043 -41.809 1.00 43.34 H new ATOM 564 N TYR A 105 32.773 21.343 -41.829 1.00 14.32 N ATOM 565 CA TYR A 105 33.827 21.893 -40.983 1.00 65.43 C ATOM 566 C TYR A 105 35.131 22.034 -41.761 1.00 72.42 C ATOM 567 O TYR A 105 35.975 22.869 -41.433 1.00 15.51 O ATOM 568 CB TYR A 105 34.044 21.001 -39.759 1.00 13.44 C ATOM 569 CG TYR A 105 32.759 20.584 -39.079 1.00 21.04 C ATOM 570 CD1 TYR A 105 31.734 21.498 -38.866 1.00 65.10 C ATOM 571 CD2 TYR A 105 32.570 19.276 -38.651 1.00 30.42 C ATOM 572 CE1 TYR A 105 30.559 21.121 -38.244 1.00 40.14 C ATOM 573 CE2 TYR A 105 31.398 18.890 -38.029 1.00 62.22 C ATOM 574 CZ TYR A 105 30.396 19.816 -37.828 1.00 63.32 C ATOM 575 OH TYR A 105 29.227 19.437 -37.209 1.00 2.35 O ATOM 0 H TYR A 105 32.499 20.389 -41.596 1.00 14.32 H new ATOM 0 HA TYR A 105 33.514 22.883 -40.652 1.00 65.43 H new ATOM 0 HB2 TYR A 105 34.591 20.108 -40.063 1.00 13.44 H new ATOM 0 HB3 TYR A 105 34.670 21.530 -39.041 1.00 13.44 H new ATOM 0 HD1 TYR A 105 31.858 22.520 -39.192 1.00 65.10 H new ATOM 0 HD2 TYR A 105 33.353 18.548 -38.807 1.00 30.42 H new ATOM 0 HE1 TYR A 105 29.773 21.844 -38.085 1.00 40.14 H new ATOM 0 HE2 TYR A 105 31.267 17.869 -37.702 1.00 62.22 H new ATOM 0 HH TYR A 105 29.436 18.931 -36.396 1.00 2.35 H new ATOM 585 N MET A 106 35.290 21.212 -42.793 1.00 2.13 N ATOM 586 CA MET A 106 36.491 21.246 -43.619 1.00 12.33 C ATOM 587 C MET A 106 36.493 22.473 -44.525 1.00 34.43 C ATOM 588 O MET A 106 37.547 22.922 -44.975 1.00 14.31 O ATOM 589 CB MET A 106 36.591 19.975 -44.464 1.00 2.20 C ATOM 590 CG MET A 106 38.019 19.522 -44.717 1.00 33.23 C ATOM 591 SD MET A 106 38.684 20.156 -46.268 1.00 45.54 S ATOM 592 CE MET A 106 39.234 18.639 -47.045 1.00 62.30 C ATOM 0 H MET A 106 34.602 20.514 -43.077 1.00 2.13 H new ATOM 0 HA MET A 106 37.355 21.303 -42.957 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.048 19.173 -43.964 1.00 2.20 H new ATOM 0 HB3 MET A 106 36.098 20.146 -45.421 1.00 2.20 H new ATOM 0 HG2 MET A 106 38.652 19.852 -43.893 1.00 33.23 H new ATOM 0 HG3 MET A 106 38.054 18.433 -44.730 1.00 33.23 H new ATOM 0 HE1 MET A 106 39.671 18.866 -48.017 1.00 62.30 H new ATOM 0 HE2 MET A 106 39.982 18.158 -46.415 1.00 62.30 H new ATOM 0 HE3 MET A 106 38.384 17.969 -47.177 1.00 62.30 H new ATOM 602 N ARG A 107 35.307 23.011 -44.789 1.00 64.32 N ATOM 603 CA ARG A 107 35.173 24.185 -45.642 1.00 35.05 C ATOM 604 C ARG A 107 34.975 25.446 -44.804 1.00 22.20 C ATOM 605 O ARG A 107 35.445 26.524 -45.168 1.00 15.10 O ATOM 606 CB ARG A 107 33.997 24.011 -46.605 1.00 40.51 C ATOM 607 CG ARG A 107 32.662 23.812 -45.908 1.00 44.25 C ATOM 608 CD ARG A 107 31.515 23.758 -46.904 1.00 14.22 C ATOM 609 NE ARG A 107 31.184 25.080 -47.429 1.00 62.33 N ATOM 610 CZ ARG A 107 30.459 25.276 -48.525 1.00 43.41 C ATOM 611 NH1 ARG A 107 29.991 24.239 -49.208 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 30.199 26.509 -48.940 1.00 71.14 N ATOM 0 H ARG A 107 34.425 22.652 -44.424 1.00 64.32 H new ATOM 0 HA ARG A 107 36.093 24.292 -46.217 1.00 35.05 H new ATOM 0 HB2 ARG A 107 33.933 24.888 -47.249 1.00 40.51 H new ATOM 0 HB3 ARG A 107 34.191 23.155 -47.251 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.687 22.888 -45.330 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.494 24.626 -45.202 1.00 44.25 H new ATOM 0 HD2 ARG A 107 31.782 23.097 -47.729 1.00 14.22 H new ATOM 0 HD3 ARG A 107 30.636 23.329 -46.422 1.00 14.22 H new ATOM 0 HE ARG A 107 31.528 25.898 -46.926 1.00 62.33 H new ATOM 0 HH11 ARG A 107 30.188 23.289 -48.892 1.00 11.24 H new ATOM 0 HH12 ARG A 107 29.435 24.392 -50.049 1.00 11.24 H new ATOM 0 HH21 ARG A 107 30.556 27.309 -48.417 1.00 71.14 H new ATOM 0 HH22 ARG A 107 29.642 26.657 -49.782 1.00 71.14 H new ATOM 626 N SER A 108 34.276 25.301 -43.683 1.00 32.45 N ATOM 627 CA SER A 108 34.012 26.429 -42.797 1.00 62.54 C ATOM 628 C SER A 108 34.327 26.066 -41.349 1.00 72.04 C ATOM 629 O SER A 108 33.488 25.511 -40.638 1.00 3.11 O ATOM 630 CB SER A 108 32.552 26.870 -42.918 1.00 72.53 C ATOM 631 OG SER A 108 31.673 25.767 -42.776 1.00 0.01 O ATOM 0 H SER A 108 33.883 24.415 -43.367 1.00 32.45 H new ATOM 0 HA SER A 108 34.659 27.254 -43.096 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.330 27.617 -42.156 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.391 27.345 -43.886 1.00 72.53 H new ATOM 0 HG SER A 108 32.190 24.934 -42.777 1.00 0.01 H new ATOM 637 N LYS A 109 35.542 26.384 -40.917 1.00 71.21 N ATOM 638 CA LYS A 109 35.970 26.094 -39.553 1.00 31.02 C ATOM 639 C LYS A 109 35.198 26.942 -38.548 1.00 3.25 C ATOM 640 O LYS A 109 34.792 26.455 -37.493 1.00 50.22 O ATOM 641 CB LYS A 109 37.471 26.349 -39.403 1.00 21.34 C ATOM 642 CG LYS A 109 37.886 27.768 -39.751 1.00 52.33 C ATOM 643 CD LYS A 109 39.300 27.815 -40.307 1.00 1.02 C ATOM 644 CE LYS A 109 39.926 29.188 -40.120 1.00 51.12 C ATOM 645 NZ LYS A 109 41.174 29.342 -40.917 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.249 26.843 -41.492 1.00 71.21 H new ATOM 0 HA LYS A 109 35.763 25.043 -39.350 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.766 26.135 -38.376 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.015 25.654 -40.042 1.00 21.34 H new ATOM 0 HG2 LYS A 109 37.192 28.182 -40.483 1.00 52.33 H new ATOM 0 HG3 LYS A 109 37.823 28.395 -38.862 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.913 27.063 -39.810 1.00 1.02 H new ATOM 0 HD3 LYS A 109 39.284 27.562 -41.367 1.00 1.02 H new ATOM 0 HE2 LYS A 109 39.211 29.956 -40.414 1.00 51.12 H new ATOM 0 HE3 LYS A 109 40.148 29.345 -39.064 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 41.570 30.291 -40.762 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 41.866 28.625 -40.620 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 40.959 29.217 -41.927 1.00 73.22 H new ATOM 659 N GLU A 110 34.997 28.213 -38.883 1.00 44.12 N ATOM 660 CA GLU A 110 34.272 29.129 -38.010 1.00 65.03 C ATOM 661 C GLU A 110 32.928 28.536 -37.596 1.00 4.22 C ATOM 662 O GLU A 110 32.509 28.662 -36.445 1.00 42.42 O ATOM 663 CB GLU A 110 34.056 30.472 -38.709 1.00 51.22 C ATOM 664 CG GLU A 110 33.284 30.363 -40.013 1.00 52.11 C ATOM 665 CD GLU A 110 33.434 31.596 -40.884 1.00 73.11 C ATOM 666 OE1 GLU A 110 34.123 31.509 -41.922 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.861 32.647 -40.529 1.00 64.00 O1- ATOM 0 H GLU A 110 35.326 28.632 -39.753 1.00 44.12 H new ATOM 0 HA GLU A 110 34.872 29.287 -37.114 1.00 65.03 H new ATOM 0 HB2 GLU A 110 33.521 31.141 -38.035 1.00 51.22 H new ATOM 0 HB3 GLU A 110 35.026 30.929 -38.908 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.631 29.489 -40.564 1.00 52.11 H new ATOM 0 HG3 GLU A 110 32.228 30.204 -39.794 1.00 52.11 H new ATOM 674 N ASP A 111 32.257 27.889 -38.543 1.00 31.12 N ATOM 675 CA ASP A 111 30.961 27.276 -38.279 1.00 2.31 C ATOM 676 C ASP A 111 31.113 26.048 -37.386 1.00 54.23 C ATOM 677 O ASP A 111 30.305 25.820 -36.485 1.00 72.33 O ATOM 678 CB ASP A 111 30.278 26.887 -39.591 1.00 61.15 C ATOM 679 CG ASP A 111 28.808 27.256 -39.611 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.006 26.468 -40.155 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.460 28.332 -39.083 1.00 75.41 O1- ATOM 0 H ASP A 111 32.590 27.776 -39.501 1.00 31.12 H new ATOM 0 HA ASP A 111 30.341 28.007 -37.760 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.784 27.380 -40.421 1.00 61.15 H new ATOM 0 HB3 ASP A 111 30.382 25.813 -39.747 1.00 61.15 H new ATOM 686 N GLU A 112 32.151 25.260 -37.645 1.00 32.13 N ATOM 687 CA GLU A 112 32.407 24.054 -36.866 1.00 62.34 C ATOM 688 C GLU A 112 32.419 24.363 -35.371 1.00 34.15 C ATOM 689 O GLU A 112 31.771 23.678 -34.580 1.00 35.11 O ATOM 690 CB GLU A 112 33.740 23.426 -37.278 1.00 32.10 C ATOM 691 CG GLU A 112 34.121 22.209 -36.452 1.00 0.21 C ATOM 692 CD GLU A 112 34.851 22.577 -35.175 1.00 23.14 C ATOM 693 OE1 GLU A 112 34.292 22.343 -34.083 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.982 23.100 -35.268 1.00 14.24 O1- ATOM 0 H GLU A 112 32.828 25.435 -38.388 1.00 32.13 H new ATOM 0 HA GLU A 112 31.603 23.346 -37.067 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.688 23.140 -38.328 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.527 24.175 -37.190 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.221 21.647 -36.203 1.00 0.21 H new ATOM 0 HG3 GLU A 112 34.752 21.551 -37.050 1.00 0.21 H new ATOM 701 N GLU A 113 33.161 25.400 -34.994 1.00 34.35 N ATOM 702 CA GLU A 113 33.258 25.800 -33.595 1.00 1.04 C ATOM 703 C GLU A 113 31.873 26.019 -32.994 1.00 62.52 C ATOM 704 O GLU A 113 31.511 25.391 -31.999 1.00 62.44 O ATOM 705 CB GLU A 113 34.092 27.075 -33.463 1.00 30.23 C ATOM 706 CG GLU A 113 34.506 27.388 -32.035 1.00 33.05 C ATOM 707 CD GLU A 113 35.706 26.577 -31.586 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.672 25.337 -31.727 1.00 5.24 O ATOM 709 OE2 GLU A 113 36.680 27.184 -31.092 1.00 53.21 O1- ATOM 0 H GLU A 113 33.703 25.977 -35.637 1.00 34.35 H new ATOM 0 HA GLU A 113 33.749 24.996 -33.047 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.986 26.979 -34.079 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.521 27.915 -33.859 1.00 30.23 H new ATOM 0 HG2 GLU A 113 34.738 28.450 -31.952 1.00 33.05 H new ATOM 0 HG3 GLU A 113 33.668 27.191 -31.366 1.00 33.05 H new ATOM 716 N GLN A 114 31.104 26.913 -33.605 1.00 21.15 N ATOM 717 CA GLN A 114 29.759 27.217 -33.130 1.00 15.15 C ATOM 718 C GLN A 114 28.935 25.942 -32.981 1.00 12.24 C ATOM 719 O GLN A 114 28.238 25.754 -31.982 1.00 54.31 O ATOM 720 CB GLN A 114 29.061 28.180 -34.090 1.00 72.44 C ATOM 721 CG GLN A 114 29.900 29.396 -34.450 1.00 22.33 C ATOM 722 CD GLN A 114 30.648 29.962 -33.259 1.00 62.33 C ATOM 723 OE1 GLN A 114 30.065 30.193 -32.198 1.00 32.25 O ATOM 724 NE2 GLN A 114 31.945 30.187 -33.426 1.00 40.41 N ATOM 0 H GLN A 114 31.389 27.440 -34.430 1.00 21.15 H new ATOM 0 HA GLN A 114 29.844 27.690 -32.152 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.802 27.645 -35.003 1.00 72.44 H new ATOM 0 HB3 GLN A 114 28.126 28.514 -33.640 1.00 72.44 H new ATOM 0 HG2 GLN A 114 30.614 29.123 -35.227 1.00 22.33 H new ATOM 0 HG3 GLN A 114 29.254 30.168 -34.869 1.00 22.33 H new ATOM 0 HE21 GLN A 114 32.387 29.981 -34.322 1.00 40.41 H new ATOM 0 HE22 GLN A 114 32.500 30.566 -32.659 1.00 40.41 H new ATOM 733 N LEU A 115 29.017 25.069 -33.980 1.00 24.11 N ATOM 734 CA LEU A 115 28.278 23.812 -33.959 1.00 72.35 C ATOM 735 C LEU A 115 28.759 22.915 -32.823 1.00 40.11 C ATOM 736 O LEU A 115 27.968 22.209 -32.199 1.00 41.13 O ATOM 737 CB LEU A 115 28.432 23.087 -35.298 1.00 4.21 C ATOM 738 CG LEU A 115 27.192 22.352 -35.808 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.309 22.079 -37.300 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.989 21.052 -35.041 1.00 4.03 C ATOM 0 H LEU A 115 29.588 25.209 -34.814 1.00 24.11 H new ATOM 0 HA LEU A 115 27.225 24.040 -33.794 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.733 23.816 -36.051 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.245 22.367 -35.207 1.00 4.21 H new ATOM 0 HG LEU A 115 26.323 22.988 -35.643 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.417 21.555 -37.645 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.406 23.023 -37.836 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.188 21.463 -37.489 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.102 20.542 -35.417 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.860 20.411 -35.175 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.859 21.271 -33.981 1.00 4.03 H new ATOM 752 N MET A 116 30.062 22.950 -32.561 1.00 70.42 N ATOM 753 CA MET A 116 30.648 22.143 -31.497 1.00 64.52 C ATOM 754 C MET A 116 30.110 22.565 -30.134 1.00 75.03 C ATOM 755 O MET A 116 29.514 21.762 -29.415 1.00 41.14 O ATOM 756 CB MET A 116 32.173 22.266 -31.516 1.00 43.44 C ATOM 757 CG MET A 116 32.877 21.222 -30.664 1.00 45.44 C ATOM 758 SD MET A 116 34.656 21.498 -30.556 1.00 64.42 S ATOM 759 CE MET A 116 34.714 22.897 -29.439 1.00 64.32 C ATOM 0 H MET A 116 30.731 23.528 -33.070 1.00 70.42 H new ATOM 0 HA MET A 116 30.372 21.103 -31.670 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.524 22.180 -32.545 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.454 23.259 -31.165 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.451 21.230 -29.661 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.691 20.232 -31.082 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.737 23.043 -29.091 1.00 64.32 H new ATOM 0 HE2 MET A 116 34.377 23.793 -29.960 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.064 22.708 -28.585 1.00 64.32 H new ATOM 769 N THR A 117 30.322 23.829 -29.784 1.00 23.24 N ATOM 770 CA THR A 117 29.859 24.357 -28.507 1.00 45.12 C ATOM 771 C THR A 117 28.365 24.118 -28.323 1.00 55.01 C ATOM 772 O THR A 117 27.925 23.667 -27.266 1.00 75.24 O ATOM 773 CB THR A 117 30.146 25.865 -28.385 1.00 45.34 C ATOM 774 OG1 THR A 117 29.540 26.385 -27.196 1.00 40.01 O ATOM 775 CG2 THR A 117 29.618 26.615 -29.599 1.00 22.51 C ATOM 0 H THR A 117 30.812 24.507 -30.368 1.00 23.24 H new ATOM 0 HA THR A 117 30.407 23.827 -27.728 1.00 45.12 H new ATOM 0 HB THR A 117 31.226 26.004 -28.332 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.729 27.344 -27.125 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.832 27.678 -29.491 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.102 26.237 -30.499 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.541 26.468 -29.678 1.00 22.51 H new ATOM 783 N GLU A 118 27.589 24.425 -29.358 1.00 13.24 N ATOM 784 CA GLU A 118 26.144 24.243 -29.309 1.00 64.41 C ATOM 785 C GLU A 118 25.785 22.765 -29.187 1.00 71.35 C ATOM 786 O GLU A 118 24.891 22.392 -28.425 1.00 2.31 O ATOM 787 CB GLU A 118 25.490 24.837 -30.558 1.00 42.20 C ATOM 788 CG GLU A 118 25.266 26.337 -30.474 1.00 62.40 C ATOM 789 CD GLU A 118 24.528 26.886 -31.679 1.00 32.23 C ATOM 790 OE1 GLU A 118 25.148 27.633 -32.464 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.331 26.568 -31.838 1.00 51.30 O1- ATOM 0 H GLU A 118 27.937 24.801 -30.240 1.00 13.24 H new ATOM 0 HA GLU A 118 25.768 24.764 -28.428 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.116 24.620 -31.424 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.532 24.344 -30.725 1.00 42.20 H new ATOM 0 HG2 GLU A 118 24.700 26.566 -29.571 1.00 62.40 H new ATOM 0 HG3 GLU A 118 26.229 26.840 -30.383 1.00 62.40 H new ATOM 798 N PHE A 119 26.486 21.928 -29.944 1.00 72.35 N ATOM 799 CA PHE A 119 26.241 20.490 -29.923 1.00 31.24 C ATOM 800 C PHE A 119 26.491 19.916 -28.531 1.00 51.21 C ATOM 801 O PHE A 119 25.882 18.921 -28.139 1.00 74.52 O ATOM 802 CB PHE A 119 27.134 19.784 -30.946 1.00 12.54 C ATOM 803 CG PHE A 119 27.326 18.321 -30.666 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.486 17.863 -30.065 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.344 17.404 -31.004 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.666 16.517 -29.807 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.516 16.056 -30.747 1.00 3.12 C ATOM 808 CZ PHE A 119 27.679 15.613 -30.148 1.00 63.33 C ATOM 0 H PHE A 119 27.228 22.220 -30.580 1.00 72.35 H new ATOM 0 HA PHE A 119 25.196 20.321 -30.185 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.699 19.902 -31.938 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.108 20.273 -30.965 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.260 18.566 -29.794 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.434 17.746 -31.474 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.577 16.173 -29.340 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.743 15.351 -31.014 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.816 14.561 -29.946 1.00 63.33 H new ATOM 818 N LYS A 120 27.392 20.551 -27.789 1.00 14.44 N ATOM 819 CA LYS A 120 27.723 20.106 -26.441 1.00 23.11 C ATOM 820 C LYS A 120 26.699 20.616 -25.432 1.00 34.44 C ATOM 821 O LYS A 120 26.418 19.957 -24.430 1.00 62.52 O ATOM 822 CB LYS A 120 29.122 20.588 -26.052 1.00 32.24 C ATOM 823 CG LYS A 120 30.202 19.536 -26.232 1.00 15.35 C ATOM 824 CD LYS A 120 31.572 20.167 -26.416 1.00 0.00 C ATOM 825 CE LYS A 120 31.970 20.998 -25.206 1.00 12.11 C ATOM 826 NZ LYS A 120 33.414 21.363 -25.235 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.906 21.376 -28.099 1.00 14.44 H new ATOM 0 HA LYS A 120 27.705 19.016 -26.431 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.375 21.462 -26.652 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.110 20.909 -25.010 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.218 18.878 -25.364 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.967 18.917 -27.097 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.314 19.386 -26.582 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.567 20.797 -27.306 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.367 21.905 -25.174 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.755 20.440 -24.295 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.646 21.929 -24.394 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.991 20.498 -25.240 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.615 21.918 -26.091 1.00 75.10 H new ATOM 840 N LYS A 121 26.143 21.791 -25.704 1.00 31.11 N ATOM 841 CA LYS A 121 25.148 22.390 -24.822 1.00 75.21 C ATOM 842 C LYS A 121 23.772 21.776 -25.059 1.00 2.10 C ATOM 843 O LYS A 121 22.978 21.630 -24.130 1.00 52.44 O ATOM 844 CB LYS A 121 25.087 23.904 -25.040 1.00 1.02 C ATOM 845 CG LYS A 121 23.950 24.342 -25.946 1.00 1.41 C ATOM 846 CD LYS A 121 24.067 25.812 -26.316 1.00 43.52 C ATOM 847 CE LYS A 121 23.851 26.709 -25.107 1.00 20.23 C ATOM 848 NZ LYS A 121 22.980 27.874 -25.429 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.365 22.348 -26.529 1.00 31.11 H new ATOM 0 HA LYS A 121 25.444 22.190 -23.792 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.982 24.398 -24.074 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.032 24.239 -25.468 1.00 1.02 H new ATOM 0 HG2 LYS A 121 23.952 23.736 -26.852 1.00 1.41 H new ATOM 0 HG3 LYS A 121 22.997 24.166 -25.447 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.052 26.004 -26.742 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.334 26.054 -27.086 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.400 26.130 -24.301 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.814 27.066 -24.743 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 22.857 28.461 -24.579 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.422 28.441 -26.180 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.052 27.535 -25.753 1.00 31.14 H new ATOM 862 N VAL A 122 23.497 21.415 -26.309 1.00 23.10 N ATOM 863 CA VAL A 122 22.218 20.814 -26.667 1.00 13.41 C ATOM 864 C VAL A 122 22.126 19.377 -26.165 1.00 52.23 C ATOM 865 O VAL A 122 21.046 18.788 -26.130 1.00 71.34 O ATOM 866 CB VAL A 122 21.999 20.828 -28.192 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.097 22.247 -28.732 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.001 19.915 -28.882 1.00 1.45 C ATOM 0 H VAL A 122 24.143 21.528 -27.090 1.00 23.10 H new ATOM 0 HA VAL A 122 21.442 21.413 -26.190 1.00 13.41 H new ATOM 0 HB VAL A 122 20.997 20.454 -28.402 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.940 22.238 -29.811 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.337 22.869 -28.260 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.085 22.652 -28.513 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.832 19.937 -29.959 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.013 20.257 -28.667 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.877 18.896 -28.516 1.00 1.45 H new ATOM 878 N LEU A 123 23.267 18.819 -25.776 1.00 4.14 N ATOM 879 CA LEU A 123 23.316 17.450 -25.274 1.00 53.40 C ATOM 880 C LEU A 123 22.941 17.398 -23.796 1.00 25.13 C ATOM 881 O LEU A 123 22.323 16.437 -23.335 1.00 61.25 O ATOM 882 CB LEU A 123 24.713 16.860 -25.479 1.00 74.02 C ATOM 883 CG LEU A 123 24.953 16.149 -26.811 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.051 16.722 -27.893 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.414 16.258 -27.218 1.00 1.21 C ATOM 0 H LEU A 123 24.170 19.293 -25.798 1.00 4.14 H new ATOM 0 HA LEU A 123 22.593 16.858 -25.834 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.443 17.664 -25.383 1.00 74.02 H new ATOM 0 HB3 LEU A 123 24.909 16.153 -24.673 1.00 74.02 H new ATOM 0 HG LEU A 123 24.710 15.094 -26.686 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.236 16.203 -28.834 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.008 16.590 -27.605 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.261 17.784 -28.017 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.566 15.746 -28.168 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.685 17.308 -27.324 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.040 15.797 -26.454 1.00 1.21 H new ATOM 897 N LEU A 124 23.316 18.437 -23.059 1.00 54.13 N ATOM 898 CA LEU A 124 23.017 18.511 -21.634 1.00 75.34 C ATOM 899 C LEU A 124 21.700 19.242 -21.390 1.00 14.20 C ATOM 900 O LEU A 124 21.012 18.988 -20.402 1.00 71.21 O ATOM 901 CB LEU A 124 24.151 19.221 -20.891 1.00 22.35 C ATOM 902 CG LEU A 124 25.339 18.348 -20.486 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.249 18.097 -21.678 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.113 18.995 -19.348 1.00 45.33 C ATOM 0 H LEU A 124 23.828 19.240 -23.425 1.00 54.13 H new ATOM 0 HA LEU A 124 22.922 17.493 -21.255 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.519 20.031 -21.520 1.00 22.35 H new ATOM 0 HB3 LEU A 124 23.739 19.678 -19.992 1.00 22.35 H new ATOM 0 HG LEU A 124 24.957 17.388 -20.139 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.089 17.474 -21.370 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.689 17.589 -22.463 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.623 19.048 -22.057 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.955 18.360 -19.073 1.00 45.33 H new ATOM 0 HD22 LEU A 124 26.483 19.969 -19.667 1.00 45.33 H new ATOM 0 HD23 LEU A 124 25.457 19.121 -18.487 1.00 45.33 H new ATOM 916 N GLU A 125 21.354 20.147 -22.300 1.00 14.41 N ATOM 917 CA GLU A 125 20.118 20.911 -22.185 1.00 41.11 C ATOM 918 C GLU A 125 18.938 19.995 -21.873 1.00 63.43 C ATOM 919 O GLU A 125 18.265 20.133 -20.852 1.00 14.15 O ATOM 920 CB GLU A 125 19.849 21.687 -23.477 1.00 64.13 C ATOM 921 CG GLU A 125 18.372 21.907 -23.758 1.00 62.33 C ATOM 922 CD GLU A 125 17.650 22.568 -22.600 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.135 23.613 -22.119 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.602 22.040 -22.175 1.00 3.44 O1- ATOM 0 H GLU A 125 21.912 20.369 -23.124 1.00 14.41 H new ATOM 0 HA GLU A 125 20.234 21.618 -21.363 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.348 22.655 -23.420 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.293 21.148 -24.314 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.264 22.525 -24.649 1.00 62.33 H new ATOM 0 HG3 GLU A 125 17.901 20.949 -23.976 1.00 62.33 H new ATOM 931 N PRO A 126 18.680 19.036 -22.775 1.00 30.12 N ATOM 932 CA PRO A 126 17.581 18.078 -22.620 1.00 22.40 C ATOM 933 C PRO A 126 17.834 17.085 -21.491 1.00 25.33 C ATOM 934 O PRO A 126 18.980 16.808 -21.140 1.00 41.31 O ATOM 935 CB PRO A 126 17.546 17.357 -23.969 1.00 61.24 C ATOM 936 CG PRO A 126 18.931 17.486 -24.504 1.00 12.33 C ATOM 937 CD PRO A 126 19.441 18.813 -24.016 1.00 0.12 C ATOM 0 HA PRO A 126 16.644 18.571 -22.361 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.263 16.311 -23.852 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.818 17.811 -24.642 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.563 16.671 -24.151 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.934 17.443 -25.593 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.515 18.787 -23.830 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.263 19.604 -24.744 1.00 0.12 H new ATOM 945 N GLY A 127 16.756 16.551 -20.926 1.00 43.42 N ATOM 946 CA GLY A 127 16.883 15.594 -19.842 1.00 51.41 C ATOM 947 C GLY A 127 16.957 14.163 -20.338 1.00 23.25 C ATOM 948 O GLY A 127 17.343 13.260 -19.595 1.00 21.10 O ATOM 0 H GLY A 127 15.797 16.764 -21.199 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.778 15.822 -19.263 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.033 15.698 -19.168 1.00 51.41 H new ATOM 952 N SER A 128 16.585 13.955 -21.597 1.00 64.24 N ATOM 953 CA SER A 128 16.605 12.623 -22.190 1.00 14.15 C ATOM 954 C SER A 128 18.004 12.273 -22.690 1.00 43.42 C ATOM 955 O SER A 128 18.178 11.830 -23.826 1.00 75.43 O ATOM 956 CB SER A 128 15.603 12.539 -23.343 1.00 12.14 C ATOM 957 OG SER A 128 15.626 13.720 -24.126 1.00 41.51 O ATOM 0 H SER A 128 16.266 14.692 -22.226 1.00 64.24 H new ATOM 0 HA SER A 128 16.322 11.905 -21.420 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.837 11.679 -23.970 1.00 12.14 H new ATOM 0 HB3 SER A 128 14.600 12.381 -22.946 1.00 12.14 H new ATOM 0 HG SER A 128 14.978 13.640 -24.857 1.00 41.51 H new ATOM 963 N LYS A 129 18.999 12.476 -21.834 1.00 13.44 N ATOM 964 CA LYS A 129 20.384 12.181 -22.186 1.00 70.44 C ATOM 965 C LYS A 129 20.521 10.753 -22.706 1.00 11.20 C ATOM 966 O LYS A 129 21.506 10.414 -23.361 1.00 23.24 O ATOM 967 CB LYS A 129 21.294 12.383 -20.972 1.00 55.21 C ATOM 968 CG LYS A 129 20.702 11.862 -19.674 1.00 13.43 C ATOM 969 CD LYS A 129 20.931 10.368 -19.517 1.00 2.32 C ATOM 970 CE LYS A 129 19.852 9.726 -18.657 1.00 34.02 C ATOM 971 NZ LYS A 129 18.493 9.923 -19.233 1.00 60.14 N1+ ATOM 0 H LYS A 129 18.873 12.844 -20.891 1.00 13.44 H new ATOM 0 HA LYS A 129 20.686 12.867 -22.977 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.245 11.883 -21.154 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.509 13.446 -20.863 1.00 55.21 H new ATOM 0 HG2 LYS A 129 21.149 12.390 -18.832 1.00 13.43 H new ATOM 0 HG3 LYS A 129 19.633 12.072 -19.651 1.00 13.43 H new ATOM 0 HD2 LYS A 129 20.944 9.896 -20.499 1.00 2.32 H new ATOM 0 HD3 LYS A 129 21.908 10.194 -19.067 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.053 8.659 -18.558 1.00 34.02 H new ATOM 0 HE3 LYS A 129 19.886 10.151 -17.654 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 17.900 10.443 -18.555 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 18.566 10.467 -20.117 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 18.062 8.997 -19.431 1.00 60.14 H new ATOM 985 N ASN A 130 19.526 9.924 -22.412 1.00 50.25 N ATOM 986 CA ASN A 130 19.537 8.532 -22.852 1.00 20.54 C ATOM 987 C ASN A 130 18.908 8.395 -24.236 1.00 24.34 C ATOM 988 O ASN A 130 18.417 7.327 -24.604 1.00 52.01 O ATOM 989 CB ASN A 130 18.786 7.654 -21.849 1.00 13.43 C ATOM 990 CG ASN A 130 17.282 7.716 -22.037 1.00 62.11 C ATOM 991 OD1 ASN A 130 16.678 6.805 -22.605 1.00 43.45 O ATOM 992 ND2 ASN A 130 16.671 8.794 -21.563 1.00 30.42 N ATOM 0 H ASN A 130 18.703 10.190 -21.872 1.00 50.25 H new ATOM 0 HA ASN A 130 20.574 8.202 -22.909 1.00 20.54 H new ATOM 0 HB2 ASN A 130 19.120 6.622 -21.953 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.036 7.969 -20.836 1.00 13.43 H new ATOM 0 HD21 ASN A 130 15.661 8.893 -21.662 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.212 9.524 -21.099 1.00 30.42 H new ATOM 999 N LEU A 131 18.929 9.482 -24.999 1.00 22.31 N ATOM 1000 CA LEU A 131 18.362 9.483 -26.343 1.00 15.12 C ATOM 1001 C LEU A 131 19.392 9.018 -27.369 1.00 65.34 C ATOM 1002 O LEU A 131 20.591 8.996 -27.092 1.00 42.41 O ATOM 1003 CB LEU A 131 17.862 10.883 -26.705 1.00 11.43 C ATOM 1004 CG LEU A 131 18.895 12.007 -26.629 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.645 12.133 -27.946 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.225 13.324 -26.266 1.00 50.13 C ATOM 0 H LEU A 131 19.332 10.373 -24.710 1.00 22.31 H new ATOM 0 HA LEU A 131 17.522 8.788 -26.357 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.462 10.853 -27.718 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.033 11.133 -26.042 1.00 11.43 H new ATOM 0 HG LEU A 131 19.614 11.761 -25.848 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.376 12.938 -27.873 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.158 11.196 -28.164 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.940 12.355 -28.747 1.00 2.43 H new ATOM 0 HD21 LEU A 131 18.976 14.113 -26.216 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.483 13.576 -27.024 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.735 13.228 -25.297 1.00 50.13 H new ATOM 1018 N SER A 132 18.914 8.649 -28.553 1.00 12.44 N ATOM 1019 CA SER A 132 19.793 8.182 -29.619 1.00 34.35 C ATOM 1020 C SER A 132 20.758 9.284 -30.048 1.00 0.35 C ATOM 1021 O SER A 132 20.385 10.454 -30.130 1.00 24.34 O ATOM 1022 CB SER A 132 18.968 7.715 -30.821 1.00 71.11 C ATOM 1023 OG SER A 132 17.609 8.093 -30.684 1.00 74.41 O ATOM 0 H SER A 132 17.924 8.664 -28.798 1.00 12.44 H new ATOM 0 HA SER A 132 20.373 7.342 -29.237 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.378 8.143 -31.736 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.040 6.632 -30.917 1.00 71.11 H new ATOM 0 HG SER A 132 17.149 7.454 -30.100 1.00 74.41 H new ATOM 1029 N ILE A 133 22.000 8.899 -30.321 1.00 2.43 N ATOM 1030 CA ILE A 133 23.019 9.851 -30.742 1.00 72.04 C ATOM 1031 C ILE A 133 22.602 10.574 -32.018 1.00 24.01 C ATOM 1032 O ILE A 133 23.111 11.652 -32.329 1.00 53.43 O ATOM 1033 CB ILE A 133 24.375 9.159 -30.977 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.414 10.175 -31.458 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.224 8.030 -31.985 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.841 9.761 -31.172 1.00 63.31 C ATOM 0 H ILE A 133 22.324 7.934 -30.258 1.00 2.43 H new ATOM 0 HA ILE A 133 23.126 10.576 -29.935 1.00 72.04 H new ATOM 0 HB ILE A 133 24.719 8.735 -30.034 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.295 10.324 -32.531 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.220 11.135 -30.980 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.190 7.550 -32.141 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.512 7.297 -31.606 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.862 8.433 -32.931 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.523 10.528 -31.540 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.976 9.640 -30.097 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.053 8.816 -31.673 1.00 63.31 H new ATOM 1048 N TYR A 134 21.672 9.975 -32.753 1.00 51.34 N ATOM 1049 CA TYR A 134 21.185 10.561 -33.997 1.00 14.53 C ATOM 1050 C TYR A 134 20.417 11.850 -33.728 1.00 72.13 C ATOM 1051 O TYR A 134 20.505 12.810 -34.493 1.00 64.14 O ATOM 1052 CB TYR A 134 20.292 9.566 -34.739 1.00 10.23 C ATOM 1053 CG TYR A 134 19.894 10.024 -36.124 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.818 10.628 -36.969 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.597 9.854 -36.588 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.460 11.049 -38.234 1.00 43.31 C ATOM 1057 CE2 TYR A 134 18.230 10.270 -37.853 1.00 22.22 C ATOM 1058 CZ TYR A 134 19.165 10.867 -38.673 1.00 2.11 C ATOM 1059 OH TYR A 134 18.803 11.285 -39.933 1.00 3.43 O ATOM 0 H TYR A 134 21.240 9.084 -32.509 1.00 51.34 H new ATOM 0 HA TYR A 134 22.048 10.798 -34.620 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.813 8.612 -34.817 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.391 9.391 -34.151 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.833 10.770 -36.630 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.862 9.388 -35.949 1.00 14.43 H new ATOM 0 HE1 TYR A 134 21.190 11.518 -38.877 1.00 43.31 H new ATOM 0 HE2 TYR A 134 17.216 10.129 -38.198 1.00 22.22 H new ATOM 0 HH TYR A 134 17.857 11.082 -40.086 1.00 3.43 H new ATOM 1069 N GLN A 135 19.662 11.864 -32.634 1.00 15.24 N ATOM 1070 CA GLN A 135 18.875 13.035 -32.263 1.00 3.44 C ATOM 1071 C GLN A 135 19.778 14.160 -31.766 1.00 63.55 C ATOM 1072 O GLN A 135 19.596 15.323 -32.129 1.00 15.31 O ATOM 1073 CB GLN A 135 17.855 12.670 -31.184 1.00 23.05 C ATOM 1074 CG GLN A 135 17.207 11.310 -31.395 1.00 5.20 C ATOM 1075 CD GLN A 135 16.837 11.059 -32.843 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.290 11.933 -33.517 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.134 9.860 -33.331 1.00 23.23 N ATOM 0 H GLN A 135 19.579 11.078 -31.989 1.00 15.24 H new ATOM 0 HA GLN A 135 18.345 13.382 -33.150 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.347 12.682 -30.211 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.078 13.434 -31.157 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.890 10.530 -31.058 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.312 11.239 -30.777 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.587 9.166 -32.737 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.909 9.634 -34.300 1.00 23.23 H new ATOM 1086 N THR A 136 20.752 13.807 -30.933 1.00 4.35 N ATOM 1087 CA THR A 136 21.681 14.787 -30.385 1.00 41.33 C ATOM 1088 C THR A 136 22.335 15.604 -31.492 1.00 13.53 C ATOM 1089 O THR A 136 22.245 16.833 -31.510 1.00 52.25 O ATOM 1090 CB THR A 136 22.781 14.110 -29.545 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.141 12.854 -30.130 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.312 13.893 -28.114 1.00 12.34 C ATOM 0 H THR A 136 20.918 12.849 -30.623 1.00 4.35 H new ATOM 0 HA THR A 136 21.099 15.449 -29.744 1.00 41.33 H new ATOM 0 HB THR A 136 23.652 14.766 -29.530 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.918 12.862 -31.084 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.105 13.414 -27.540 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.067 14.854 -27.662 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.428 13.256 -28.114 1.00 12.34 H new ATOM 1100 N LEU A 137 22.994 14.916 -32.419 1.00 40.20 N ATOM 1101 CA LEU A 137 23.664 15.579 -33.532 1.00 24.30 C ATOM 1102 C LEU A 137 22.655 16.284 -34.434 1.00 25.13 C ATOM 1103 O LEU A 137 22.816 17.458 -34.765 1.00 73.04 O ATOM 1104 CB LEU A 137 24.470 14.564 -34.346 1.00 71.51 C ATOM 1105 CG LEU A 137 25.819 14.152 -33.757 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.367 12.933 -34.481 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.807 15.306 -33.829 1.00 41.53 C ATOM 0 H LEU A 137 23.078 13.899 -32.421 1.00 40.20 H new ATOM 0 HA LEU A 137 24.342 16.327 -33.121 1.00 24.30 H new ATOM 0 HB2 LEU A 137 23.863 13.668 -34.475 1.00 71.51 H new ATOM 0 HB3 LEU A 137 24.641 14.979 -35.339 1.00 71.51 H new ATOM 0 HG LEU A 137 25.672 13.891 -32.709 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.328 12.654 -34.048 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.668 12.103 -34.377 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.499 13.166 -35.538 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.762 14.995 -33.405 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.950 15.598 -34.869 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.419 16.153 -33.264 1.00 41.53 H new ATOM 1119 N LEU A 138 21.611 15.559 -34.824 1.00 10.14 N ATOM 1120 CA LEU A 138 20.573 16.115 -35.685 1.00 31.24 C ATOM 1121 C LEU A 138 20.052 17.435 -35.127 1.00 11.02 C ATOM 1122 O LEU A 138 19.916 18.418 -35.855 1.00 71.33 O ATOM 1123 CB LEU A 138 19.420 15.121 -35.834 1.00 41.12 C ATOM 1124 CG LEU A 138 18.237 15.587 -36.681 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.580 14.405 -37.378 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.224 16.331 -35.822 1.00 22.45 C ATOM 0 H LEU A 138 21.462 14.586 -34.558 1.00 10.14 H new ATOM 0 HA LEU A 138 21.011 16.304 -36.665 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.813 14.202 -36.269 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.052 14.870 -34.839 1.00 41.12 H new ATOM 0 HG LEU A 138 18.610 16.271 -37.443 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.740 14.757 -37.976 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.307 13.915 -38.026 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.222 13.696 -36.632 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.389 16.655 -36.443 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.857 15.670 -35.037 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.700 17.202 -35.370 1.00 22.45 H new ATOM 1138 N ALA A 139 19.765 17.451 -33.829 1.00 11.23 N ATOM 1139 CA ALA A 139 19.263 18.652 -33.173 1.00 25.20 C ATOM 1140 C ALA A 139 20.298 19.772 -33.213 1.00 1.41 C ATOM 1141 O ALA A 139 19.987 20.903 -33.584 1.00 21.21 O ATOM 1142 CB ALA A 139 18.873 18.343 -31.735 1.00 44.04 C ATOM 0 H ALA A 139 19.872 16.646 -33.212 1.00 11.23 H new ATOM 0 HA ALA A 139 18.379 18.990 -33.714 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.500 19.249 -31.257 1.00 44.04 H new ATOM 0 HB2 ALA A 139 18.095 17.580 -31.725 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.745 17.979 -31.192 1.00 44.04 H new ATOM 1148 N ALA A 140 21.528 19.450 -32.827 1.00 70.34 N ATOM 1149 CA ALA A 140 22.608 20.428 -32.822 1.00 73.32 C ATOM 1150 C ALA A 140 22.789 21.056 -34.199 1.00 31.53 C ATOM 1151 O ALA A 140 23.071 22.248 -34.318 1.00 61.43 O ATOM 1152 CB ALA A 140 23.904 19.781 -32.359 1.00 20.30 C ATOM 0 H ALA A 140 21.801 18.519 -32.514 1.00 70.34 H new ATOM 0 HA ALA A 140 22.342 21.222 -32.124 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.702 20.523 -32.360 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.775 19.389 -31.350 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.165 18.966 -33.034 1.00 20.30 H new ATOM 1158 N HIS A 141 22.626 20.243 -35.240 1.00 1.44 N ATOM 1159 CA HIS A 141 22.772 20.719 -36.610 1.00 35.23 C ATOM 1160 C HIS A 141 21.640 21.674 -36.978 1.00 23.11 C ATOM 1161 O HIS A 141 21.876 22.843 -37.282 1.00 71.12 O ATOM 1162 CB HIS A 141 22.795 19.539 -37.583 1.00 54.14 C ATOM 1163 CG HIS A 141 23.988 18.649 -37.416 1.00 62.40 C ATOM 1164 ND1 HIS A 141 25.227 19.116 -37.030 1.00 11.41 N ATOM 1165 CD2 HIS A 141 24.126 17.314 -37.585 1.00 55.51 C ATOM 1166 CE1 HIS A 141 26.076 18.105 -36.970 1.00 43.34 C ATOM 1167 NE2 HIS A 141 25.433 17.001 -37.302 1.00 1.53 N ATOM 0 H HIS A 141 22.393 19.253 -35.160 1.00 1.44 H new ATOM 0 HA HIS A 141 23.716 21.258 -36.682 1.00 35.23 H new ATOM 0 HB2 HIS A 141 21.889 18.948 -37.446 1.00 54.14 H new ATOM 0 HB3 HIS A 141 22.776 19.920 -38.604 1.00 54.14 H new ATOM 0 HD2 HIS A 141 23.353 16.623 -37.886 1.00 55.51 H new ATOM 0 HE1 HIS A 141 27.119 18.171 -36.696 1.00 43.34 H new ATOM 0 HE2 HIS A 141 25.841 16.067 -37.342 1.00 1.53 H new ATOM 1176 N GLU A 142 20.412 21.167 -36.948 1.00 21.22 N ATOM 1177 CA GLU A 142 19.244 21.977 -37.280 1.00 60.01 C ATOM 1178 C GLU A 142 19.197 23.239 -36.425 1.00 12.12 C ATOM 1179 O GLU A 142 18.852 24.317 -36.909 1.00 65.25 O ATOM 1180 CB GLU A 142 17.962 21.165 -37.084 1.00 0.33 C ATOM 1181 CG GLU A 142 17.905 19.903 -37.928 1.00 13.53 C ATOM 1182 CD GLU A 142 16.523 19.640 -38.493 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.754 18.892 -37.854 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.211 20.182 -39.574 1.00 0.23 O1- ATOM 0 H GLU A 142 20.199 20.201 -36.698 1.00 21.22 H new ATOM 0 HA GLU A 142 19.322 22.272 -38.326 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.872 20.893 -36.032 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.104 21.793 -37.326 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.619 19.986 -38.748 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.214 19.051 -37.322 1.00 13.53 H new ATOM 1191 N ARG A 143 19.543 23.096 -35.150 1.00 11.21 N ATOM 1192 CA ARG A 143 19.537 24.223 -34.226 1.00 60.32 C ATOM 1193 C ARG A 143 20.564 25.273 -34.642 1.00 61.53 C ATOM 1194 O ARG A 143 20.353 26.472 -34.455 1.00 4.22 O ATOM 1195 CB ARG A 143 19.830 23.746 -32.802 1.00 31.13 C ATOM 1196 CG ARG A 143 18.619 23.159 -32.096 1.00 61.33 C ATOM 1197 CD ARG A 143 18.847 23.048 -30.597 1.00 34.34 C ATOM 1198 NE ARG A 143 18.665 21.682 -30.115 1.00 43.43 N ATOM 1199 CZ ARG A 143 18.495 21.370 -28.835 1.00 42.24 C ATOM 1200 NH1 ARG A 143 18.481 22.323 -27.913 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 18.335 20.103 -28.475 1.00 72.21 N ATOM 0 H ARG A 143 19.831 22.211 -34.733 1.00 11.21 H new ATOM 0 HA ARG A 143 18.546 24.676 -34.254 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.620 22.996 -32.834 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.210 24.584 -32.218 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.747 23.784 -32.287 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.400 22.173 -32.506 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.856 23.385 -30.358 1.00 34.34 H new ATOM 0 HD3 ARG A 143 18.157 23.711 -30.075 1.00 34.34 H new ATOM 0 HE ARG A 143 18.669 20.925 -30.799 1.00 43.43 H new ATOM 0 HH11 ARG A 143 18.601 23.298 -28.186 1.00 31.10 H new ATOM 0 HH12 ARG A 143 18.350 22.081 -26.931 1.00 31.10 H new ATOM 0 HH21 ARG A 143 18.342 19.367 -29.181 1.00 72.21 H new ATOM 0 HH22 ARG A 143 18.205 19.865 -27.492 1.00 72.21 H new ATOM 1215 N LEU A 144 21.676 24.814 -35.206 1.00 51.52 N ATOM 1216 CA LEU A 144 22.737 25.712 -35.649 1.00 34.24 C ATOM 1217 C LEU A 144 22.246 26.621 -36.772 1.00 61.12 C ATOM 1218 O LEU A 144 22.638 27.784 -36.856 1.00 51.43 O ATOM 1219 CB LEU A 144 23.949 24.907 -36.121 1.00 61.43 C ATOM 1220 CG LEU A 144 25.191 25.720 -36.487 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.022 26.013 -35.247 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.024 24.982 -37.525 1.00 54.33 C ATOM 0 H LEU A 144 21.866 23.825 -35.367 1.00 51.52 H new ATOM 0 HA LEU A 144 23.030 26.335 -34.804 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.219 24.201 -35.336 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.654 24.320 -36.991 1.00 61.43 H new ATOM 0 HG LEU A 144 24.867 26.668 -36.916 1.00 62.04 H new ATOM 0 HD11 LEU A 144 26.902 26.592 -35.527 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.425 26.582 -34.535 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.336 25.075 -34.789 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.904 25.575 -37.774 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.337 24.019 -37.122 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.428 24.823 -38.424 1.00 54.33 H new ATOM 1234 N GLN A 145 21.387 26.081 -37.630 1.00 51.00 N ATOM 1235 CA GLN A 145 20.843 26.846 -38.747 1.00 12.25 C ATOM 1236 C GLN A 145 19.393 27.237 -38.483 1.00 12.51 C ATOM 1237 O GLN A 145 18.577 27.293 -39.403 1.00 14.40 O ATOM 1238 CB GLN A 145 20.937 26.035 -40.041 1.00 54.30 C ATOM 1239 CG GLN A 145 22.325 25.477 -40.310 1.00 44.02 C ATOM 1240 CD GLN A 145 22.484 24.049 -39.830 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.536 23.264 -39.856 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.688 23.702 -39.387 1.00 40.43 N ATOM 0 H GLN A 145 21.053 25.119 -37.574 1.00 51.00 H new ATOM 0 HA GLN A 145 21.433 27.757 -38.853 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.226 25.210 -39.996 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.640 26.667 -40.878 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.529 25.521 -41.380 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.067 26.106 -39.818 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.446 24.384 -39.383 1.00 40.43 H new ATOM 0 HE22 GLN A 145 23.854 22.753 -39.051 1.00 40.43 H new ATOM 1251 N ALA A 146 19.078 27.508 -37.220 1.00 25.41 N ATOM 1252 CA ALA A 146 17.727 27.896 -36.836 1.00 61.13 C ATOM 1253 C ALA A 146 17.494 29.383 -37.077 1.00 43.10 C ATOM 1254 O ALA A 146 18.161 30.231 -36.480 1.00 53.12 O ATOM 1255 CB ALA A 146 17.473 27.549 -35.376 1.00 73.03 C ATOM 0 H ALA A 146 19.741 27.466 -36.446 1.00 25.41 H new ATOM 0 HA ALA A 146 17.025 27.340 -37.457 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.460 27.844 -35.103 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.589 26.475 -35.232 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.188 28.079 -34.746 1.00 73.03 H new ATOM 1261 N LEU A 147 16.545 29.695 -37.953 1.00 64.13 N ATOM 1262 CA LEU A 147 16.225 31.081 -38.272 1.00 53.53 C ATOM 1263 C LEU A 147 15.796 31.844 -37.022 1.00 25.45 C ATOM 1264 O LEU A 147 15.641 31.231 -35.967 1.00 52.04 O ATOM 1265 CB LEU A 147 15.116 31.139 -39.324 1.00 12.24 C ATOM 1266 CG LEU A 147 15.564 31.007 -40.780 1.00 10.30 C ATOM 1267 CD1 LEU A 147 14.362 30.823 -41.694 1.00 75.04 C ATOM 1268 CD2 LEU A 147 16.375 32.223 -41.202 1.00 34.23 C ATOM 0 H LEU A 147 15.984 29.006 -38.455 1.00 64.13 H new ATOM 0 HA LEU A 147 17.123 31.552 -38.672 1.00 53.53 H new ATOM 0 HB2 LEU A 147 14.400 30.345 -39.112 1.00 12.24 H new ATOM 0 HB3 LEU A 147 14.586 32.085 -39.212 1.00 12.24 H new ATOM 0 HG LEU A 147 16.199 30.125 -40.865 1.00 10.30 H new ATOM 0 HD11 LEU A 147 14.700 30.731 -42.726 1.00 75.04 H new ATOM 0 HD12 LEU A 147 13.822 29.921 -41.407 1.00 75.04 H new ATOM 0 HD13 LEU A 147 13.701 31.685 -41.604 1.00 75.04 H new ATOM 0 HD21 LEU A 147 16.685 32.111 -42.241 1.00 34.23 H new ATOM 0 HD22 LEU A 147 15.765 33.120 -41.100 1.00 34.23 H new ATOM 0 HD23 LEU A 147 17.257 32.310 -40.568 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 28.076 -38.601 -50.584 1.00 21.13 N ATOM 1282 CA HIS B 518 29.204 -37.805 -50.115 1.00 35.22 C ATOM 1283 C HIS B 518 28.849 -36.322 -50.091 1.00 35.13 C ATOM 1284 O HIS B 518 27.749 -35.930 -50.479 1.00 13.03 O ATOM 1285 CB HIS B 518 30.423 -38.036 -51.007 1.00 50.40 C ATOM 1286 CG HIS B 518 30.929 -39.446 -50.979 1.00 11.31 C ATOM 1287 ND1 HIS B 518 31.858 -39.931 -51.875 1.00 51.44 N ATOM 1288 CD2 HIS B 518 30.630 -40.477 -50.155 1.00 52.22 C ATOM 1289 CE1 HIS B 518 32.107 -41.200 -51.603 1.00 51.12 C ATOM 1290 NE2 HIS B 518 31.376 -41.556 -50.563 1.00 12.11 N ATOM 0 HA HIS B 518 29.442 -38.119 -49.099 1.00 35.22 H new ATOM 0 HB2 HIS B 518 30.167 -37.771 -52.033 1.00 50.40 H new ATOM 0 HB3 HIS B 518 31.224 -37.365 -50.695 1.00 50.40 H new ATOM 0 HD2 HIS B 518 29.934 -40.456 -49.330 1.00 52.22 H new ATOM 0 HE1 HIS B 518 32.793 -41.838 -52.141 1.00 51.12 H new ATOM 0 HE2 HIS B 518 31.367 -42.481 -50.133 1.00 12.11 H new ATOM 1299 N MET B 519 29.789 -35.501 -49.633 1.00 20.22 N ATOM 1300 CA MET B 519 29.576 -34.061 -49.559 1.00 45.23 C ATOM 1301 C MET B 519 30.905 -33.317 -49.475 1.00 50.30 C ATOM 1302 O MET B 519 31.970 -33.934 -49.452 1.00 40.52 O ATOM 1303 CB MET B 519 28.706 -33.714 -48.348 1.00 3.13 C ATOM 1304 CG MET B 519 29.181 -34.356 -47.055 1.00 31.34 C ATOM 1305 SD MET B 519 28.066 -34.042 -45.673 1.00 5.43 S ATOM 1306 CE MET B 519 27.278 -35.641 -45.504 1.00 34.34 C ATOM 0 H MET B 519 30.705 -35.809 -49.308 1.00 20.22 H new ATOM 0 HA MET B 519 29.063 -33.748 -50.468 1.00 45.23 H new ATOM 0 HB2 MET B 519 28.689 -32.631 -48.222 1.00 3.13 H new ATOM 0 HB3 MET B 519 27.681 -34.028 -48.545 1.00 3.13 H new ATOM 0 HG2 MET B 519 29.277 -35.432 -47.202 1.00 31.34 H new ATOM 0 HG3 MET B 519 30.173 -33.978 -46.809 1.00 31.34 H new ATOM 0 HE1 MET B 519 26.558 -35.607 -44.686 1.00 34.34 H new ATOM 0 HE2 MET B 519 26.763 -35.893 -46.431 1.00 34.34 H new ATOM 0 HE3 MET B 519 28.033 -36.398 -45.291 1.00 34.34 H new ATOM 1316 N ASP B 520 30.834 -31.992 -49.428 1.00 74.23 N ATOM 1317 CA ASP B 520 32.033 -31.165 -49.345 1.00 31.44 C ATOM 1318 C ASP B 520 32.715 -31.331 -47.991 1.00 44.32 C ATOM 1319 O ASP B 520 32.112 -31.775 -47.014 1.00 1.42 O ATOM 1320 CB ASP B 520 31.680 -29.695 -49.575 1.00 25.13 C ATOM 1321 CG ASP B 520 31.757 -29.303 -51.038 1.00 32.35 C ATOM 1322 OD1 ASP B 520 32.832 -29.484 -51.646 1.00 72.23 O ATOM 1323 OD2 ASP B 520 30.739 -28.817 -51.575 1.00 3.02 O1- ATOM 0 H ASP B 520 29.960 -31.467 -49.446 1.00 74.23 H new ATOM 0 HA ASP B 520 32.724 -31.491 -50.122 1.00 31.44 H new ATOM 0 HB2 ASP B 520 30.673 -29.504 -49.203 1.00 25.13 H new ATOM 0 HB3 ASP B 520 32.358 -29.067 -48.997 1.00 25.13 H new ATOM 1328 N PRO B 521 34.006 -30.969 -47.930 1.00 54.32 N ATOM 1329 CA PRO B 521 34.799 -31.070 -46.701 1.00 73.43 C ATOM 1330 C PRO B 521 34.363 -30.059 -45.646 1.00 14.40 C ATOM 1331 O PRO B 521 34.228 -30.395 -44.468 1.00 3.11 O ATOM 1332 CB PRO B 521 36.224 -30.770 -47.173 1.00 34.25 C ATOM 1333 CG PRO B 521 36.051 -29.942 -48.400 1.00 74.43 C ATOM 1334 CD PRO B 521 34.789 -30.433 -49.056 1.00 2.40 C ATOM 0 HA PRO B 521 34.690 -32.044 -46.224 1.00 73.43 H new ATOM 0 HB2 PRO B 521 36.789 -30.234 -46.410 1.00 34.25 H new ATOM 0 HB3 PRO B 521 36.771 -31.688 -47.389 1.00 34.25 H new ATOM 0 HG2 PRO B 521 35.974 -28.884 -48.149 1.00 74.43 H new ATOM 0 HG3 PRO B 521 36.906 -30.050 -49.068 1.00 74.43 H new ATOM 0 HD2 PRO B 521 34.261 -29.627 -49.565 1.00 2.40 H new ATOM 0 HD3 PRO B 521 34.996 -31.200 -49.803 1.00 2.40 H new ATOM 1342 N LEU B 522 34.144 -28.821 -46.074 1.00 1.11 N ATOM 1343 CA LEU B 522 33.723 -27.760 -45.165 1.00 75.22 C ATOM 1344 C LEU B 522 32.881 -26.720 -45.896 1.00 30.33 C ATOM 1345 O LEU B 522 32.646 -26.827 -47.100 1.00 4.43 O ATOM 1346 CB LEU B 522 34.943 -27.091 -44.531 1.00 22.31 C ATOM 1347 CG LEU B 522 36.016 -26.593 -45.500 1.00 23.42 C ATOM 1348 CD1 LEU B 522 36.140 -25.079 -45.428 1.00 31.54 C ATOM 1349 CD2 LEU B 522 37.353 -27.255 -45.200 1.00 64.43 C ATOM 0 H LEU B 522 34.251 -28.527 -47.045 1.00 1.11 H new ATOM 0 HA LEU B 522 33.113 -28.208 -44.380 1.00 75.22 H new ATOM 0 HB2 LEU B 522 34.600 -26.245 -43.935 1.00 22.31 H new ATOM 0 HB3 LEU B 522 35.404 -27.800 -43.843 1.00 22.31 H new ATOM 0 HG LEU B 522 35.718 -26.864 -46.513 1.00 23.42 H new ATOM 0 HD11 LEU B 522 36.908 -24.743 -46.124 1.00 31.54 H new ATOM 0 HD12 LEU B 522 35.186 -24.623 -45.693 1.00 31.54 H new ATOM 0 HD13 LEU B 522 36.415 -24.784 -44.415 1.00 31.54 H new ATOM 0 HD21 LEU B 522 38.105 -26.889 -45.899 1.00 64.43 H new ATOM 0 HD22 LEU B 522 37.657 -27.015 -44.181 1.00 64.43 H new ATOM 0 HD23 LEU B 522 37.256 -28.336 -45.305 1.00 64.43 H new ATOM 1361 N THR B 523 32.428 -25.709 -45.160 1.00 53.05 N ATOM 1362 CA THR B 523 31.613 -24.648 -45.738 1.00 40.25 C ATOM 1363 C THR B 523 32.252 -23.282 -45.516 1.00 12.10 C ATOM 1364 O THR B 523 32.107 -22.666 -44.460 1.00 20.21 O ATOM 1365 CB THR B 523 30.193 -24.641 -45.140 1.00 32.04 C ATOM 1366 OG1 THR B 523 29.501 -23.452 -45.535 1.00 63.35 O ATOM 1367 CG2 THR B 523 30.245 -24.723 -43.622 1.00 73.11 C ATOM 0 H THR B 523 32.612 -25.603 -44.162 1.00 53.05 H new ATOM 0 HA THR B 523 31.548 -24.847 -46.808 1.00 40.25 H new ATOM 0 HB THR B 523 29.659 -25.513 -45.517 1.00 32.04 H new ATOM 0 HG1 THR B 523 28.599 -23.456 -45.152 1.00 63.35 H new ATOM 0 HG21 THR B 523 29.231 -24.717 -43.222 1.00 73.11 H new ATOM 0 HG22 THR B 523 30.746 -25.644 -43.324 1.00 73.11 H new ATOM 0 HG23 THR B 523 30.795 -23.867 -43.230 1.00 73.11 H new ATOM 1375 N PRO B 524 32.975 -22.794 -46.535 1.00 61.23 N ATOM 1376 CA PRO B 524 33.649 -21.493 -46.475 1.00 21.31 C ATOM 1377 C PRO B 524 32.665 -20.328 -46.489 1.00 11.10 C ATOM 1378 O PRO B 524 31.462 -20.523 -46.662 1.00 65.14 O ATOM 1379 CB PRO B 524 34.509 -21.481 -47.742 1.00 71.15 C ATOM 1380 CG PRO B 524 33.814 -22.407 -48.681 1.00 14.31 C ATOM 1381 CD PRO B 524 33.190 -23.473 -47.823 1.00 21.34 C ATOM 0 HA PRO B 524 34.219 -21.372 -45.554 1.00 21.31 H new ATOM 0 HB2 PRO B 524 34.585 -20.477 -48.160 1.00 71.15 H new ATOM 0 HB3 PRO B 524 35.525 -21.817 -47.534 1.00 71.15 H new ATOM 0 HG2 PRO B 524 33.057 -21.879 -49.261 1.00 14.31 H new ATOM 0 HG3 PRO B 524 34.516 -22.840 -49.393 1.00 14.31 H new ATOM 0 HD2 PRO B 524 32.253 -23.833 -48.248 1.00 21.34 H new ATOM 0 HD3 PRO B 524 33.845 -24.338 -47.717 1.00 21.34 H new ATOM 1389 N ASP B 525 33.184 -19.120 -46.304 1.00 31.30 N ATOM 1390 CA ASP B 525 32.350 -17.923 -46.296 1.00 51.41 C ATOM 1391 C ASP B 525 33.062 -16.760 -46.980 1.00 61.44 C ATOM 1392 O ASP B 525 34.291 -16.681 -46.972 1.00 70.22 O ATOM 1393 CB ASP B 525 31.984 -17.541 -44.861 1.00 53.22 C ATOM 1394 CG ASP B 525 33.179 -17.578 -43.929 1.00 74.23 C ATOM 1395 OD1 ASP B 525 33.098 -18.264 -42.889 1.00 15.03 O ATOM 1396 OD2 ASP B 525 34.194 -16.920 -44.239 1.00 4.21 O1- ATOM 0 H ASP B 525 34.178 -18.943 -46.158 1.00 31.30 H new ATOM 0 HA ASP B 525 31.437 -18.142 -46.850 1.00 51.41 H new ATOM 0 HB2 ASP B 525 31.552 -16.540 -44.854 1.00 53.22 H new ATOM 0 HB3 ASP B 525 31.217 -18.222 -44.491 1.00 53.22 H new ATOM 1401 N ALA B 526 32.283 -15.861 -47.571 1.00 64.40 N ATOM 1402 CA ALA B 526 32.839 -14.702 -48.258 1.00 74.21 C ATOM 1403 C ALA B 526 32.078 -13.431 -47.895 1.00 60.43 C ATOM 1404 O ALA B 526 31.133 -13.465 -47.107 1.00 3.51 O ATOM 1405 CB ALA B 526 32.818 -14.920 -49.764 1.00 22.02 C ATOM 0 H ALA B 526 31.264 -15.913 -47.588 1.00 64.40 H new ATOM 0 HA ALA B 526 33.873 -14.580 -47.934 1.00 74.21 H new ATOM 0 HB1 ALA B 526 33.236 -14.046 -50.264 1.00 22.02 H new ATOM 0 HB2 ALA B 526 33.412 -15.799 -50.013 1.00 22.02 H new ATOM 0 HB3 ALA B 526 31.791 -15.071 -50.096 1.00 22.02 H new ATOM 1411 N SER B 527 32.496 -12.311 -48.476 1.00 22.23 N ATOM 1412 CA SER B 527 31.856 -11.027 -48.209 1.00 10.42 C ATOM 1413 C SER B 527 30.669 -10.809 -49.142 1.00 55.23 C ATOM 1414 O SER B 527 30.790 -10.942 -50.360 1.00 74.31 O ATOM 1415 CB SER B 527 32.863 -9.887 -48.373 1.00 54.03 C ATOM 1416 OG SER B 527 33.671 -10.081 -49.522 1.00 33.11 O ATOM 0 H SER B 527 33.274 -12.266 -49.134 1.00 22.23 H new ATOM 0 HA SER B 527 31.493 -11.036 -47.181 1.00 10.42 H new ATOM 0 HB2 SER B 527 32.333 -8.938 -48.453 1.00 54.03 H new ATOM 0 HB3 SER B 527 33.495 -9.825 -47.487 1.00 54.03 H new ATOM 0 HG SER B 527 33.127 -10.458 -50.245 1.00 33.11 H new ATOM 1422 N GLU B 528 29.521 -10.472 -48.560 1.00 34.44 N ATOM 1423 CA GLU B 528 28.312 -10.236 -49.339 1.00 70.03 C ATOM 1424 C GLU B 528 27.828 -8.799 -49.169 1.00 45.40 C ATOM 1425 O GLU B 528 27.964 -7.975 -50.074 1.00 23.21 O ATOM 1426 CB GLU B 528 27.210 -11.209 -48.917 1.00 24.51 C ATOM 1427 CG GLU B 528 25.859 -10.909 -49.545 1.00 63.11 C ATOM 1428 CD GLU B 528 25.948 -10.683 -51.042 1.00 25.14 C ATOM 1429 OE1 GLU B 528 26.454 -11.580 -51.749 1.00 15.45 O ATOM 1430 OE2 GLU B 528 25.512 -9.608 -51.506 1.00 52.05 O1- ATOM 0 H GLU B 528 29.404 -10.357 -47.553 1.00 34.44 H new ATOM 0 HA GLU B 528 28.549 -10.400 -50.390 1.00 70.03 H new ATOM 0 HB2 GLU B 528 27.509 -12.222 -49.186 1.00 24.51 H new ATOM 0 HB3 GLU B 528 27.110 -11.183 -47.832 1.00 24.51 H new ATOM 0 HG2 GLU B 528 25.178 -11.737 -49.346 1.00 63.11 H new ATOM 0 HG3 GLU B 528 25.431 -10.025 -49.073 1.00 63.11 H new ATOM 1437 N SER B 529 27.261 -8.504 -48.003 1.00 24.10 N ATOM 1438 CA SER B 529 26.752 -7.169 -47.716 1.00 74.23 C ATOM 1439 C SER B 529 27.553 -6.512 -46.596 1.00 3.40 C ATOM 1440 O SER B 529 26.987 -5.998 -45.631 1.00 61.24 O ATOM 1441 CB SER B 529 25.273 -7.235 -47.329 1.00 63.34 C ATOM 1442 OG SER B 529 25.085 -8.027 -46.170 1.00 34.34 O ATOM 0 H SER B 529 27.143 -9.173 -47.242 1.00 24.10 H new ATOM 0 HA SER B 529 26.857 -6.566 -48.618 1.00 74.23 H new ATOM 0 HB2 SER B 529 24.895 -6.228 -47.151 1.00 63.34 H new ATOM 0 HB3 SER B 529 24.696 -7.651 -48.155 1.00 63.34 H new ATOM 0 HG SER B 529 24.132 -8.052 -45.942 1.00 34.34 H new ATOM 1448 N VAL B 530 28.875 -6.534 -46.731 1.00 34.03 N ATOM 1449 CA VAL B 530 29.756 -5.939 -45.732 1.00 72.15 C ATOM 1450 C VAL B 530 30.434 -4.686 -46.273 1.00 13.35 C ATOM 1451 O VAL B 530 30.950 -4.679 -47.390 1.00 62.34 O ATOM 1452 CB VAL B 530 30.836 -6.936 -45.273 1.00 51.23 C ATOM 1453 CG1 VAL B 530 31.716 -6.314 -44.199 1.00 75.24 C ATOM 1454 CG2 VAL B 530 30.195 -8.221 -44.770 1.00 2.14 C ATOM 0 H VAL B 530 29.360 -6.957 -47.522 1.00 34.03 H new ATOM 0 HA VAL B 530 29.132 -5.671 -44.879 1.00 72.15 H new ATOM 0 HB VAL B 530 31.466 -7.181 -46.128 1.00 51.23 H new ATOM 0 HG11 VAL B 530 32.473 -7.034 -43.887 1.00 75.24 H new ATOM 0 HG12 VAL B 530 32.203 -5.424 -44.598 1.00 75.24 H new ATOM 0 HG13 VAL B 530 31.103 -6.038 -43.341 1.00 75.24 H new ATOM 0 HG21 VAL B 530 30.973 -8.914 -44.450 1.00 2.14 H new ATOM 0 HG22 VAL B 530 29.540 -7.996 -43.928 1.00 2.14 H new ATOM 0 HG23 VAL B 530 29.612 -8.675 -45.571 1.00 2.14 H new ATOM 1464 N ASN B 531 30.429 -3.625 -45.473 1.00 50.32 N ATOM 1465 CA ASN B 531 31.044 -2.363 -45.871 1.00 54.32 C ATOM 1466 C ASN B 531 32.561 -2.501 -45.955 1.00 34.52 C ATOM 1467 O ASN B 531 33.115 -3.561 -45.669 1.00 34.23 O ATOM 1468 CB ASN B 531 30.674 -1.257 -44.881 1.00 1.55 C ATOM 1469 CG ASN B 531 29.369 -0.573 -45.239 1.00 54.25 C ATOM 1470 OD1 ASN B 531 29.337 0.331 -46.073 1.00 63.14 O ATOM 1471 ND2 ASN B 531 28.283 -1.004 -44.608 1.00 21.12 N ATOM 0 H ASN B 531 30.006 -3.613 -44.545 1.00 50.32 H new ATOM 0 HA ASN B 531 30.666 -2.098 -46.858 1.00 54.32 H new ATOM 0 HB2 ASN B 531 30.596 -1.681 -43.880 1.00 1.55 H new ATOM 0 HB3 ASN B 531 31.473 -0.516 -44.853 1.00 1.55 H new ATOM 0 HD21 ASN B 531 27.376 -0.582 -44.808 1.00 21.12 H new ATOM 0 HD22 ASN B 531 28.356 -1.757 -43.923 1.00 21.12 H new ATOM 1478 N ASN B 532 33.226 -1.419 -46.347 1.00 22.22 N ATOM 1479 CA ASN B 532 34.680 -1.418 -46.468 1.00 1.42 C ATOM 1480 C ASN B 532 35.221 0.008 -46.520 1.00 44.13 C ATOM 1481 O ASN B 532 34.545 0.921 -46.993 1.00 32.50 O ATOM 1482 CB ASN B 532 35.109 -2.184 -47.722 1.00 52.44 C ATOM 1483 CG ASN B 532 35.312 -3.663 -47.455 1.00 72.53 C ATOM 1484 OD1 ASN B 532 34.479 -4.492 -47.822 1.00 72.51 O ATOM 1485 ND2 ASN B 532 36.424 -4.001 -46.813 1.00 42.51 N ATOM 0 H ASN B 532 32.782 -0.532 -46.586 1.00 22.22 H new ATOM 0 HA ASN B 532 35.093 -1.913 -45.589 1.00 1.42 H new ATOM 0 HB2 ASN B 532 34.354 -2.058 -48.498 1.00 52.44 H new ATOM 0 HB3 ASN B 532 36.035 -1.757 -48.107 1.00 52.44 H new ATOM 0 HD21 ASN B 532 36.615 -4.981 -46.606 1.00 42.51 H new ATOM 0 HD22 ASN B 532 37.087 -3.280 -46.527 1.00 42.51 H new ATOM 1492 N ILE B 533 36.444 0.188 -46.031 1.00 4.31 N ATOM 1493 CA ILE B 533 37.075 1.502 -46.022 1.00 60.32 C ATOM 1494 C ILE B 533 38.377 1.491 -46.817 1.00 54.13 C ATOM 1495 O ILE B 533 39.258 0.665 -46.574 1.00 12.31 O ATOM 1496 CB ILE B 533 37.367 1.978 -44.587 1.00 51.21 C ATOM 1497 CG1 ILE B 533 38.046 0.865 -43.787 1.00 70.53 C ATOM 1498 CG2 ILE B 533 36.081 2.420 -43.904 1.00 41.24 C ATOM 1499 CD1 ILE B 533 38.234 1.202 -42.323 1.00 11.24 C ATOM 0 H ILE B 533 37.016 -0.558 -45.637 1.00 4.31 H new ATOM 0 HA ILE B 533 36.372 2.193 -46.488 1.00 60.32 H new ATOM 0 HB ILE B 533 38.043 2.832 -44.633 1.00 51.21 H new ATOM 0 HG12 ILE B 533 37.451 -0.045 -43.869 1.00 70.53 H new ATOM 0 HG13 ILE B 533 39.019 0.651 -44.230 1.00 70.53 H new ATOM 0 HG21 ILE B 533 36.303 2.754 -42.890 1.00 41.24 H new ATOM 0 HG22 ILE B 533 35.634 3.240 -44.466 1.00 41.24 H new ATOM 0 HG23 ILE B 533 35.383 1.583 -43.866 1.00 41.24 H new ATOM 0 HD11 ILE B 533 38.721 0.368 -41.817 1.00 11.24 H new ATOM 0 HD12 ILE B 533 38.854 2.094 -42.232 1.00 11.24 H new ATOM 0 HD13 ILE B 533 37.263 1.387 -41.865 1.00 11.24 H new ATOM 1511 N LEU B 534 38.493 2.413 -47.766 1.00 4.44 N ATOM 1512 CA LEU B 534 39.688 2.511 -48.596 1.00 61.11 C ATOM 1513 C LEU B 534 40.943 2.599 -47.734 1.00 32.54 C ATOM 1514 O LEU B 534 41.031 3.428 -46.828 1.00 62.31 O ATOM 1515 CB LEU B 534 39.598 3.732 -49.512 1.00 2.04 C ATOM 1516 CG LEU B 534 39.750 5.094 -48.832 1.00 60.34 C ATOM 1517 CD1 LEU B 534 41.206 5.528 -48.825 1.00 34.13 C ATOM 1518 CD2 LEU B 534 38.884 6.136 -49.526 1.00 61.30 C ATOM 0 H LEU B 534 37.774 3.104 -47.980 1.00 4.44 H new ATOM 0 HA LEU B 534 39.751 1.611 -49.207 1.00 61.11 H new ATOM 0 HB2 LEU B 534 40.367 3.643 -50.279 1.00 2.04 H new ATOM 0 HB3 LEU B 534 38.635 3.708 -50.022 1.00 2.04 H new ATOM 0 HG LEU B 534 39.415 5.002 -47.799 1.00 60.34 H new ATOM 0 HD11 LEU B 534 41.294 6.499 -48.337 1.00 34.13 H new ATOM 0 HD12 LEU B 534 41.802 4.794 -48.282 1.00 34.13 H new ATOM 0 HD13 LEU B 534 41.568 5.603 -49.850 1.00 34.13 H new ATOM 0 HD21 LEU B 534 39.005 7.099 -49.029 1.00 61.30 H new ATOM 0 HD22 LEU B 534 39.188 6.225 -50.569 1.00 61.30 H new ATOM 0 HD23 LEU B 534 37.839 5.831 -49.477 1.00 61.30 H new ATOM 1530 N LYS B 535 41.915 1.740 -48.024 1.00 14.02 N ATOM 1531 CA LYS B 535 43.168 1.722 -47.278 1.00 64.31 C ATOM 1532 C LYS B 535 44.331 2.170 -48.158 1.00 72.41 C ATOM 1533 O LYS B 535 45.011 1.345 -48.768 1.00 14.31 O ATOM 1534 CB LYS B 535 43.439 0.319 -46.730 1.00 54.24 C ATOM 1535 CG LYS B 535 42.235 -0.313 -46.054 1.00 50.42 C ATOM 1536 CD LYS B 535 42.621 -0.992 -44.751 1.00 13.13 C ATOM 1537 CE LYS B 535 43.442 -2.247 -44.998 1.00 52.33 C ATOM 1538 NZ LYS B 535 42.606 -3.478 -44.947 1.00 62.51 N1+ ATOM 0 H LYS B 535 41.859 1.047 -48.770 1.00 14.02 H new ATOM 0 HA LYS B 535 43.077 2.419 -46.445 1.00 64.31 H new ATOM 0 HB2 LYS B 535 43.766 -0.324 -47.547 1.00 54.24 H new ATOM 0 HB3 LYS B 535 44.261 0.369 -46.016 1.00 54.24 H new ATOM 0 HG2 LYS B 535 41.483 0.452 -45.858 1.00 50.42 H new ATOM 0 HG3 LYS B 535 41.781 -1.042 -46.725 1.00 50.42 H new ATOM 0 HD2 LYS B 535 43.192 -0.298 -44.133 1.00 13.13 H new ATOM 0 HD3 LYS B 535 41.721 -1.249 -44.193 1.00 13.13 H new ATOM 0 HE2 LYS B 535 43.927 -2.178 -45.972 1.00 52.33 H new ATOM 0 HE3 LYS B 535 44.234 -2.315 -44.252 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 43.204 -4.311 -45.120 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 42.164 -3.559 -44.009 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 41.866 -3.425 -45.676 1.00 62.51 H new ATOM 1552 N GLN B 536 44.553 3.479 -48.216 1.00 24.12 N ATOM 1553 CA GLN B 536 45.635 4.033 -49.021 1.00 22.34 C ATOM 1554 C GLN B 536 46.466 5.021 -48.208 1.00 62.32 C ATOM 1555 O GLN B 536 46.419 6.228 -48.443 1.00 50.41 O ATOM 1556 CB GLN B 536 45.071 4.726 -50.264 1.00 51.31 C ATOM 1557 CG GLN B 536 44.184 3.827 -51.111 1.00 35.41 C ATOM 1558 CD GLN B 536 43.371 4.602 -52.129 1.00 30.51 C ATOM 1559 OE1 GLN B 536 43.390 5.833 -52.148 1.00 45.21 O ATOM 1560 NE2 GLN B 536 42.651 3.884 -52.982 1.00 61.41 N ATOM 0 H GLN B 536 43.999 4.175 -47.716 1.00 24.12 H new ATOM 0 HA GLN B 536 46.280 3.212 -49.332 1.00 22.34 H new ATOM 0 HB2 GLN B 536 44.498 5.600 -49.954 1.00 51.31 H new ATOM 0 HB3 GLN B 536 45.898 5.087 -50.875 1.00 51.31 H new ATOM 0 HG2 GLN B 536 44.804 3.094 -51.628 1.00 35.41 H new ATOM 0 HG3 GLN B 536 43.509 3.271 -50.460 1.00 35.41 H new ATOM 0 HE21 GLN B 536 42.665 2.865 -52.930 1.00 61.41 H new ATOM 0 HE22 GLN B 536 42.084 4.351 -53.690 1.00 61.41 H new ATOM 1569 N SER B 537 47.228 4.499 -47.253 1.00 14.31 N ATOM 1570 CA SER B 537 48.068 5.334 -46.402 1.00 14.23 C ATOM 1571 C SER B 537 48.846 4.483 -45.403 1.00 74.01 C ATOM 1572 O SER B 537 48.302 3.559 -44.802 1.00 11.11 O ATOM 1573 CB SER B 537 47.213 6.362 -45.658 1.00 13.52 C ATOM 1574 OG SER B 537 45.945 5.825 -45.324 1.00 64.54 O ATOM 0 H SER B 537 47.281 3.501 -47.049 1.00 14.31 H new ATOM 0 HA SER B 537 48.781 5.857 -47.039 1.00 14.23 H new ATOM 0 HB2 SER B 537 47.727 6.679 -44.751 1.00 13.52 H new ATOM 0 HB3 SER B 537 47.084 7.249 -46.278 1.00 13.52 H new ATOM 0 HG SER B 537 46.030 5.254 -44.532 1.00 64.54 H new ATOM 1580 N GLY B 538 50.125 4.804 -45.232 1.00 40.34 N ATOM 1581 CA GLY B 538 50.959 4.061 -44.305 1.00 13.30 C ATOM 1582 C GLY B 538 50.709 4.448 -42.861 1.00 44.23 C ATOM 1583 O GLY B 538 50.796 3.611 -41.963 1.00 4.52 O ATOM 0 H GLY B 538 50.598 5.565 -45.719 1.00 40.34 H new ATOM 0 HA2 GLY B 538 50.773 2.994 -44.429 1.00 13.30 H new ATOM 0 HA3 GLY B 538 52.008 4.232 -44.547 1.00 13.30 H new ATOM 1587 N ALA B 539 50.399 5.721 -42.636 1.00 15.34 N ATOM 1588 CA ALA B 539 50.135 6.216 -41.292 1.00 61.14 C ATOM 1589 C ALA B 539 48.637 6.346 -41.038 1.00 52.01 C ATOM 1590 O ALA B 539 47.826 6.171 -41.948 1.00 53.15 O ATOM 1591 CB ALA B 539 50.826 7.554 -41.078 1.00 63.32 C ATOM 0 H ALA B 539 50.325 6.428 -43.368 1.00 15.34 H new ATOM 0 HA ALA B 539 50.536 5.494 -40.581 1.00 61.14 H new ATOM 0 HB1 ALA B 539 50.620 7.913 -40.069 1.00 63.32 H new ATOM 0 HB2 ALA B 539 51.901 7.433 -41.208 1.00 63.32 H new ATOM 0 HB3 ALA B 539 50.452 8.277 -41.803 1.00 63.32 H new ATOM 1597 N TRP B 540 48.276 6.652 -39.797 1.00 64.23 N ATOM 1598 CA TRP B 540 46.874 6.803 -39.425 1.00 74.22 C ATOM 1599 C TRP B 540 46.706 7.892 -38.370 1.00 14.34 C ATOM 1600 O TRP B 540 47.328 7.843 -37.310 1.00 54.13 O ATOM 1601 CB TRP B 540 46.318 5.478 -38.900 1.00 74.04 C ATOM 1602 CG TRP B 540 46.711 4.297 -39.735 1.00 15.41 C ATOM 1603 CD1 TRP B 540 47.704 3.399 -39.469 1.00 11.20 C ATOM 1604 CD2 TRP B 540 46.120 3.888 -40.973 1.00 44.12 C ATOM 1605 NE1 TRP B 540 47.766 2.456 -40.467 1.00 30.21 N ATOM 1606 CE2 TRP B 540 46.804 2.733 -41.401 1.00 22.41 C ATOM 1607 CE3 TRP B 540 45.078 4.384 -41.762 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 46.480 2.071 -42.581 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 44.758 3.725 -42.933 1.00 24.52 C ATOM 1610 CH2 TRP B 540 45.456 2.578 -43.334 1.00 22.11 C ATOM 0 H TRP B 540 48.934 6.800 -39.032 1.00 64.23 H new ATOM 0 HA TRP B 540 46.317 7.095 -40.315 1.00 74.22 H new ATOM 0 HB2 TRP B 540 46.667 5.325 -37.879 1.00 74.04 H new ATOM 0 HB3 TRP B 540 45.230 5.539 -38.859 1.00 74.04 H new ATOM 0 HD1 TRP B 540 48.347 3.426 -38.601 1.00 11.20 H new ATOM 0 HE1 TRP B 540 48.422 1.676 -40.506 1.00 30.21 H new ATOM 0 HE3 TRP B 540 44.533 5.267 -41.461 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 47.018 1.188 -42.892 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 43.955 4.100 -43.551 1.00 24.52 H new ATOM 0 HH2 TRP B 540 45.181 2.085 -44.255 1.00 22.11 H new ATOM 1621 N SER B 541 45.861 8.873 -38.669 1.00 34.54 N ATOM 1622 CA SER B 541 45.614 9.976 -37.748 1.00 2.20 C ATOM 1623 C SER B 541 44.433 10.822 -38.216 1.00 32.22 C ATOM 1624 O SER B 541 44.046 10.775 -39.383 1.00 42.44 O ATOM 1625 CB SER B 541 46.862 10.849 -37.618 1.00 3.02 C ATOM 1626 OG SER B 541 46.789 11.975 -38.477 1.00 54.44 O ATOM 0 H SER B 541 45.336 8.927 -39.542 1.00 34.54 H new ATOM 0 HA SER B 541 45.372 9.554 -36.773 1.00 2.20 H new ATOM 0 HB2 SER B 541 46.971 11.182 -36.586 1.00 3.02 H new ATOM 0 HB3 SER B 541 47.748 10.261 -37.859 1.00 3.02 H new ATOM 0 HG SER B 541 47.598 12.518 -38.374 1.00 54.44 H new ATOM 1632 N GLY B 542 43.865 11.596 -37.296 1.00 4.53 N ATOM 1633 CA GLY B 542 42.734 12.441 -37.633 1.00 64.24 C ATOM 1634 C GLY B 542 41.423 11.891 -37.108 1.00 5.44 C ATOM 1635 O GLY B 542 40.379 12.047 -37.742 1.00 43.23 O ATOM 0 H GLY B 542 44.168 11.653 -36.324 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.895 13.439 -37.225 1.00 64.24 H new ATOM 0 HA3 GLY B 542 42.673 12.546 -38.716 1.00 64.24 H new ATOM 1639 N ASP B 543 41.476 11.248 -35.948 1.00 11.14 N ATOM 1640 CA ASP B 543 40.283 10.673 -35.337 1.00 52.52 C ATOM 1641 C ASP B 543 39.602 11.683 -34.419 1.00 13.13 C ATOM 1642 O ASP B 543 38.379 11.680 -34.273 1.00 20.02 O ATOM 1643 CB ASP B 543 40.643 9.412 -34.549 1.00 25.25 C ATOM 1644 CG ASP B 543 41.349 8.378 -35.404 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.727 7.878 -36.365 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.523 8.069 -35.113 1.00 51.20 O1- ATOM 0 H ASP B 543 42.332 11.111 -35.411 1.00 11.14 H new ATOM 0 HA ASP B 543 39.589 10.408 -36.135 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.282 9.682 -33.709 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.735 8.976 -34.132 1.00 25.25 H new ATOM 1651 N ASP B 544 40.401 12.547 -33.801 1.00 15.42 N ATOM 1652 CA ASP B 544 39.876 13.564 -32.898 1.00 51.14 C ATOM 1653 C ASP B 544 38.713 14.315 -33.541 1.00 4.23 C ATOM 1654 O ASP B 544 37.792 14.758 -32.855 1.00 2.42 O ATOM 1655 CB ASP B 544 40.980 14.547 -32.505 1.00 73.54 C ATOM 1656 CG ASP B 544 40.754 15.152 -31.133 1.00 21.23 C ATOM 1657 OD1 ASP B 544 40.568 16.385 -31.051 1.00 50.03 O ATOM 1658 OD2 ASP B 544 40.765 14.393 -30.142 1.00 63.43 O1- ATOM 0 H ASP B 544 41.415 12.563 -33.909 1.00 15.42 H new ATOM 0 HA ASP B 544 39.510 13.064 -32.001 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.941 14.034 -32.519 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.034 15.344 -33.246 1.00 73.54 H new ATOM 1663 N LYS B 545 38.765 14.455 -34.861 1.00 75.25 N ATOM 1664 CA LYS B 545 37.717 15.151 -35.597 1.00 24.24 C ATOM 1665 C LYS B 545 36.338 14.633 -35.203 1.00 33.21 C ATOM 1666 O LYS B 545 35.447 15.410 -34.853 1.00 50.14 O ATOM 1667 CB LYS B 545 37.925 14.982 -37.104 1.00 64.44 C ATOM 1668 CG LYS B 545 38.773 16.078 -37.728 1.00 54.23 C ATOM 1669 CD LYS B 545 40.204 16.034 -37.219 1.00 42.41 C ATOM 1670 CE LYS B 545 41.090 17.022 -37.962 1.00 62.41 C ATOM 1671 NZ LYS B 545 41.469 16.521 -39.312 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.522 14.096 -35.443 1.00 75.25 H new ATOM 0 HA LYS B 545 37.773 16.210 -35.345 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.397 14.018 -37.291 1.00 64.44 H new ATOM 0 HB3 LYS B 545 36.953 14.962 -37.596 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.768 15.970 -38.813 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.335 17.051 -37.503 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.219 16.260 -36.153 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.602 15.026 -37.337 1.00 42.41 H new ATOM 0 HE2 LYS B 545 40.569 17.974 -38.061 1.00 62.41 H new ATOM 0 HE3 LYS B 545 41.991 17.211 -37.379 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.086 17.215 -39.779 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 41.974 15.617 -39.218 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 40.612 16.381 -39.883 1.00 40.23 H new ATOM 1685 N LEU B 546 36.167 13.317 -35.262 1.00 71.42 N ATOM 1686 CA LEU B 546 34.895 12.694 -34.909 1.00 33.24 C ATOM 1687 C LEU B 546 34.871 12.301 -33.435 1.00 5.43 C ATOM 1688 O LEU B 546 33.813 12.277 -32.807 1.00 43.24 O ATOM 1689 CB LEU B 546 34.649 11.461 -35.781 1.00 40.40 C ATOM 1690 CG LEU B 546 35.629 10.302 -35.594 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.144 9.363 -34.501 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.816 9.547 -36.903 1.00 60.44 C ATOM 0 H LEU B 546 36.892 12.661 -35.551 1.00 71.42 H new ATOM 0 HA LEU B 546 34.102 13.421 -35.085 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.642 11.095 -35.582 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.676 11.768 -36.826 1.00 40.40 H new ATOM 0 HG LEU B 546 36.593 10.711 -35.291 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.854 8.545 -34.383 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.061 9.910 -33.562 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.169 8.960 -34.774 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.516 8.725 -36.752 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.857 9.150 -37.234 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.209 10.225 -37.661 1.00 60.44 H new ATOM 1704 N GLN B 547 36.046 11.999 -32.890 1.00 42.22 N ATOM 1705 CA GLN B 547 36.158 11.610 -31.489 1.00 10.14 C ATOM 1706 C GLN B 547 35.502 12.645 -30.581 1.00 64.45 C ATOM 1707 O GLN B 547 34.759 12.300 -29.662 1.00 15.25 O ATOM 1708 CB GLN B 547 37.628 11.435 -31.104 1.00 1.31 C ATOM 1709 CG GLN B 547 37.903 10.165 -30.314 1.00 14.25 C ATOM 1710 CD GLN B 547 39.254 10.186 -29.627 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.232 9.640 -30.138 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.315 10.817 -28.461 1.00 30.11 N ATOM 0 H GLN B 547 36.931 12.016 -33.396 1.00 42.22 H new ATOM 0 HA GLN B 547 35.639 10.660 -31.359 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.234 11.428 -32.010 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.946 12.295 -30.515 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.121 10.030 -29.566 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.854 9.307 -30.984 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.479 11.256 -28.074 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.198 10.863 -27.952 1.00 30.11 H new ATOM 1721 N LYS B 548 35.782 13.917 -30.844 1.00 13.42 N ATOM 1722 CA LYS B 548 35.220 15.005 -30.052 1.00 2.43 C ATOM 1723 C LYS B 548 33.706 14.860 -29.927 1.00 11.31 C ATOM 1724 O LYS B 548 33.159 14.893 -28.825 1.00 25.34 O ATOM 1725 CB LYS B 548 35.561 16.354 -30.686 1.00 44.51 C ATOM 1726 CG LYS B 548 35.241 16.430 -32.169 1.00 74.23 C ATOM 1727 CD LYS B 548 36.116 17.450 -32.879 1.00 50.13 C ATOM 1728 CE LYS B 548 35.928 18.844 -32.300 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.756 19.856 -33.011 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.395 14.220 -31.600 1.00 13.42 H new ATOM 0 HA LYS B 548 35.657 14.958 -29.055 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.014 17.139 -30.165 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.622 16.555 -30.542 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.383 15.449 -32.623 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.192 16.694 -32.302 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.162 17.157 -32.792 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.875 17.461 -33.942 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.877 19.125 -32.364 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.192 18.837 -31.243 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.600 20.793 -32.587 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.761 19.602 -32.929 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.487 19.882 -34.015 1.00 32.25 H new ATOM 1743 N TRP B 549 33.036 14.696 -31.062 1.00 35.00 N ATOM 1744 CA TRP B 549 31.585 14.544 -31.078 1.00 23.03 C ATOM 1745 C TRP B 549 31.158 13.316 -30.282 1.00 60.44 C ATOM 1746 O TRP B 549 30.449 13.427 -29.282 1.00 13.42 O ATOM 1747 CB TRP B 549 31.080 14.437 -32.517 1.00 1.00 C ATOM 1748 CG TRP B 549 31.469 15.605 -33.372 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.605 15.731 -34.118 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.722 16.810 -33.569 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.611 16.944 -34.766 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.466 17.624 -34.446 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.496 17.282 -33.089 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.024 18.880 -34.851 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 29.059 18.529 -33.493 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.821 19.316 -34.367 1.00 4.25 C ATOM 0 H TRP B 549 33.474 14.665 -31.983 1.00 35.00 H new ATOM 0 HA TRP B 549 31.146 15.426 -30.611 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.470 13.523 -32.964 1.00 1.00 H new ATOM 0 HB3 TRP B 549 29.994 14.349 -32.508 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.385 14.987 -34.189 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.348 17.282 -35.384 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.902 16.683 -32.415 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.610 19.489 -35.524 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.114 18.904 -33.129 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.451 20.286 -34.664 1.00 4.25 H new ATOM 1767 N VAL B 550 31.593 12.143 -30.734 1.00 65.43 N ATOM 1768 CA VAL B 550 31.256 10.893 -30.063 1.00 41.32 C ATOM 1769 C VAL B 550 31.550 10.975 -28.569 1.00 70.33 C ATOM 1770 O VAL B 550 30.675 10.724 -27.739 1.00 22.45 O ATOM 1771 CB VAL B 550 32.034 9.706 -30.663 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.652 8.410 -29.965 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.783 9.609 -32.160 1.00 22.45 C ATOM 0 H VAL B 550 32.179 12.033 -31.562 1.00 65.43 H new ATOM 0 HA VAL B 550 30.188 10.731 -30.213 1.00 41.32 H new ATOM 0 HB VAL B 550 33.099 9.874 -30.506 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.211 7.583 -30.402 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.887 8.486 -28.903 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.584 8.231 -30.089 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.340 8.766 -32.568 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.718 9.463 -32.342 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.111 10.529 -32.644 1.00 22.45 H new ATOM 1783 N ARG B 551 32.786 11.328 -28.233 1.00 22.31 N ATOM 1784 CA ARG B 551 33.195 11.443 -26.838 1.00 13.54 C ATOM 1785 C ARG B 551 32.162 12.221 -26.030 1.00 30.45 C ATOM 1786 O ARG B 551 31.790 11.820 -24.928 1.00 43.25 O ATOM 1787 CB ARG B 551 34.559 12.129 -26.739 1.00 20.34 C ATOM 1788 CG ARG B 551 35.275 11.877 -25.422 1.00 75.53 C ATOM 1789 CD ARG B 551 34.919 12.929 -24.384 1.00 51.12 C ATOM 1790 NE ARG B 551 35.632 12.720 -23.126 1.00 55.05 N ATOM 1791 CZ ARG B 551 36.919 13.000 -22.956 1.00 23.44 C ATOM 1792 NH1 ARG B 551 37.632 13.496 -23.958 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.497 12.781 -21.781 1.00 20.42 N ATOM 0 H ARG B 551 33.522 11.539 -28.907 1.00 22.31 H new ATOM 0 HA ARG B 551 33.271 10.437 -26.424 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.190 11.783 -27.558 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.426 13.203 -26.871 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.010 10.889 -25.046 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.352 11.877 -25.587 1.00 75.53 H new ATOM 0 HD2 ARG B 551 35.156 13.919 -24.775 1.00 51.12 H new ATOM 0 HD3 ARG B 551 33.845 12.908 -24.200 1.00 51.12 H new ATOM 0 HE ARG B 551 35.113 12.338 -22.335 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.192 13.664 -24.863 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.620 13.710 -23.824 1.00 74.33 H new ATOM 0 HH21 ARG B 551 36.953 12.398 -21.008 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.486 12.996 -21.651 1.00 20.42 H new ATOM 1807 N VAL B 552 31.703 13.337 -26.586 1.00 73.21 N ATOM 1808 CA VAL B 552 30.711 14.173 -25.918 1.00 53.54 C ATOM 1809 C VAL B 552 29.370 13.457 -25.814 1.00 31.11 C ATOM 1810 O VAL B 552 28.650 13.607 -24.827 1.00 31.43 O ATOM 1811 CB VAL B 552 30.511 15.508 -26.660 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.416 16.329 -25.996 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.817 16.288 -26.712 1.00 14.55 C ATOM 0 H VAL B 552 32.002 13.684 -27.497 1.00 73.21 H new ATOM 0 HA VAL B 552 31.090 14.376 -24.916 1.00 53.54 H new ATOM 0 HB VAL B 552 30.201 15.293 -27.683 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.289 17.269 -26.534 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.480 15.770 -26.015 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.693 16.537 -24.963 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.658 17.229 -27.240 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.158 16.494 -25.698 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.571 15.701 -27.236 1.00 14.55 H new ATOM 1823 N TYR B 553 29.040 12.677 -26.837 1.00 3.04 N ATOM 1824 CA TYR B 553 27.783 11.938 -26.862 1.00 51.43 C ATOM 1825 C TYR B 553 27.702 10.963 -25.692 1.00 23.41 C ATOM 1826 O TYR B 553 26.671 10.861 -25.024 1.00 65.22 O ATOM 1827 CB TYR B 553 27.639 11.180 -28.183 1.00 50.50 C ATOM 1828 CG TYR B 553 27.282 9.721 -28.007 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.979 9.333 -27.722 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.249 8.730 -28.127 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.649 8.002 -27.560 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.928 7.395 -27.968 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.626 7.037 -27.685 1.00 52.22 C ATOM 1834 OH TYR B 553 26.302 5.709 -27.525 1.00 2.33 O ATOM 0 H TYR B 553 29.626 12.540 -27.661 1.00 3.04 H new ATOM 0 HA TYR B 553 26.967 12.655 -26.772 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.871 11.663 -28.788 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.574 11.252 -28.738 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.210 10.086 -27.625 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.269 9.008 -28.348 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.631 7.718 -27.337 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.691 6.637 -28.065 1.00 34.42 H new ATOM 0 HH TYR B 553 27.104 5.160 -27.646 1.00 2.33 H new ATOM 1844 N LEU B 554 28.795 10.249 -25.447 1.00 55.44 N ATOM 1845 CA LEU B 554 28.850 9.281 -24.357 1.00 42.23 C ATOM 1846 C LEU B 554 29.201 9.965 -23.040 1.00 53.42 C ATOM 1847 O LEU B 554 28.850 9.480 -21.964 1.00 74.44 O ATOM 1848 CB LEU B 554 29.876 8.190 -24.668 1.00 44.44 C ATOM 1849 CG LEU B 554 31.272 8.675 -25.064 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.231 8.555 -23.889 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.790 7.890 -26.260 1.00 32.42 C ATOM 0 H LEU B 554 29.656 10.322 -25.989 1.00 55.44 H new ATOM 0 HA LEU B 554 27.865 8.826 -24.258 1.00 42.23 H new ATOM 0 HB2 LEU B 554 29.971 7.548 -23.792 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.485 7.571 -25.476 1.00 44.44 H new ATOM 0 HG LEU B 554 31.205 9.726 -25.346 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.219 8.904 -24.189 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.868 9.162 -23.059 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.294 7.513 -23.576 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.784 8.248 -26.528 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.842 6.831 -26.005 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.115 8.027 -27.105 1.00 32.42 H new ATOM 1863 N ASP B 555 29.892 11.096 -23.132 1.00 73.25 N ATOM 1864 CA ASP B 555 30.287 11.849 -21.947 1.00 31.31 C ATOM 1865 C ASP B 555 29.094 12.587 -21.350 1.00 23.23 C ATOM 1866 O ASP B 555 29.001 12.756 -20.133 1.00 34.14 O ATOM 1867 CB ASP B 555 31.396 12.843 -22.295 1.00 72.13 C ATOM 1868 CG ASP B 555 31.889 13.608 -21.083 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.506 12.981 -20.196 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.661 14.834 -21.022 1.00 21.01 O1- ATOM 0 H ASP B 555 30.190 11.511 -24.015 1.00 73.25 H new ATOM 0 HA ASP B 555 30.662 11.143 -21.206 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.231 12.308 -22.747 1.00 72.13 H new ATOM 0 HB3 ASP B 555 31.028 13.548 -23.041 1.00 72.13 H new ATOM 1875 N ARG B 556 28.184 13.027 -22.213 1.00 10.54 N ATOM 1876 CA ARG B 556 26.997 13.750 -21.771 1.00 54.44 C ATOM 1877 C ARG B 556 25.905 12.781 -21.325 1.00 72.41 C ATOM 1878 O ARG B 556 25.121 13.085 -20.428 1.00 3.24 O ATOM 1879 CB ARG B 556 26.472 14.645 -22.894 1.00 35.13 C ATOM 1880 CG ARG B 556 25.972 13.876 -24.104 1.00 22.30 C ATOM 1881 CD ARG B 556 24.475 13.621 -24.022 1.00 71.10 C ATOM 1882 NE ARG B 556 24.088 12.399 -24.723 1.00 44.32 N ATOM 1883 CZ ARG B 556 22.880 12.199 -25.238 1.00 73.04 C ATOM 1884 NH1 ARG B 556 21.946 13.134 -25.132 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.604 11.061 -25.862 1.00 21.52 N ATOM 0 H ARG B 556 28.246 12.895 -23.223 1.00 10.54 H new ATOM 0 HA ARG B 556 27.276 14.372 -20.921 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.661 15.262 -22.506 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.266 15.323 -23.208 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.198 14.436 -25.011 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.501 12.926 -24.176 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.176 13.549 -22.976 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.939 14.469 -24.449 1.00 71.10 H new ATOM 0 HE ARG B 556 24.783 11.659 -24.822 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.154 14.011 -24.654 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.020 12.977 -25.529 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.320 10.339 -25.946 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.676 10.908 -26.257 1.00 21.52 H new ATOM 1899 N GLY B 557 25.861 11.614 -21.960 1.00 54.40 N ATOM 1900 CA GLY B 557 24.862 10.619 -21.616 1.00 51.20 C ATOM 1901 C GLY B 557 24.926 10.213 -20.158 1.00 73.35 C ATOM 1902 O GLY B 557 24.112 10.656 -19.348 1.00 64.24 O ATOM 0 H GLY B 557 26.499 11.340 -22.707 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.870 11.013 -21.837 1.00 51.20 H new ATOM 0 HA3 GLY B 557 25.001 9.737 -22.242 1.00 51.20 H new ATOM 1906 N GLN B 558 25.895 9.367 -19.822 1.00 30.44 N ATOM 1907 CA GLN B 558 26.060 8.899 -18.452 1.00 71.33 C ATOM 1908 C GLN B 558 27.518 9.001 -18.013 1.00 54.22 C ATOM 1909 O GLN B 558 27.820 9.550 -16.954 1.00 65.12 O ATOM 1910 CB GLN B 558 25.576 7.454 -18.321 1.00 32.20 C ATOM 1911 CG GLN B 558 26.091 6.538 -19.419 1.00 10.50 C ATOM 1912 CD GLN B 558 25.420 5.179 -19.408 1.00 44.43 C ATOM 1913 OE1 GLN B 558 26.084 4.149 -19.293 1.00 32.15 O ATOM 1914 NE2 GLN B 558 24.099 5.170 -19.528 1.00 2.10 N ATOM 0 H GLN B 558 26.578 8.992 -20.481 1.00 30.44 H new ATOM 0 HA GLN B 558 25.459 9.536 -17.803 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.890 7.061 -17.354 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.486 7.442 -18.331 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.929 7.011 -20.387 1.00 10.50 H new ATOM 0 HG3 GLN B 558 27.167 6.409 -19.304 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.589 6.049 -19.621 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.593 4.284 -19.527 1.00 2.10 H new ATOM 1923 N GLU B 559 28.416 8.468 -18.835 1.00 54.14 N ATOM 1924 CA GLU B 559 29.842 8.498 -18.530 1.00 64.14 C ATOM 1925 C GLU B 559 30.659 7.934 -19.690 1.00 45.44 C ATOM 1926 O GLU B 559 30.110 7.580 -20.734 1.00 54.24 O ATOM 1927 CB GLU B 559 30.130 7.703 -17.255 1.00 42.30 C ATOM 1928 CG GLU B 559 29.912 6.207 -17.408 1.00 15.30 C ATOM 1929 CD GLU B 559 30.155 5.447 -16.119 1.00 15.40 C ATOM 1930 OE1 GLU B 559 31.335 5.205 -15.787 1.00 24.20 O ATOM 1931 OE2 GLU B 559 29.167 5.096 -15.442 1.00 61.43 O1- ATOM 0 H GLU B 559 28.182 8.011 -19.716 1.00 54.14 H new ATOM 0 HA GLU B 559 30.133 9.537 -18.375 1.00 64.14 H new ATOM 0 HB2 GLU B 559 31.161 7.882 -16.950 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.492 8.075 -16.453 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.892 6.025 -17.746 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.577 5.824 -18.182 1.00 15.30 H new ATOM 1938 N ALA B 560 31.971 7.856 -19.499 1.00 3.04 N ATOM 1939 CA ALA B 560 32.863 7.335 -20.527 1.00 50.04 C ATOM 1940 C ALA B 560 32.552 5.874 -20.834 1.00 31.25 C ATOM 1941 O ALA B 560 31.931 5.179 -20.029 1.00 10.24 O ATOM 1942 CB ALA B 560 34.313 7.489 -20.094 1.00 41.05 C ATOM 0 H ALA B 560 32.440 8.147 -18.641 1.00 3.04 H new ATOM 0 HA ALA B 560 32.704 7.912 -21.438 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.968 7.096 -20.871 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.534 8.544 -19.932 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.477 6.938 -19.168 1.00 41.05 H new ATOM 1948 N ILE B 561 32.988 5.414 -22.002 1.00 73.03 N ATOM 1949 CA ILE B 561 32.756 4.035 -22.415 1.00 2.23 C ATOM 1950 C ILE B 561 33.845 3.555 -23.367 1.00 30.44 C ATOM 1951 O ILE B 561 34.257 4.280 -24.273 1.00 42.35 O ATOM 1952 CB ILE B 561 31.385 3.875 -23.098 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.196 4.951 -24.170 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.268 3.945 -22.068 1.00 51.43 C ATOM 1955 CD1 ILE B 561 29.980 4.729 -25.041 1.00 63.22 C ATOM 0 H ILE B 561 33.504 5.976 -22.679 1.00 73.03 H new ATOM 0 HA ILE B 561 32.775 3.428 -21.510 1.00 2.23 H new ATOM 0 HB ILE B 561 31.348 2.898 -23.580 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.113 5.924 -23.686 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.084 4.983 -24.801 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.306 3.830 -22.567 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.396 3.146 -21.338 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.301 4.909 -21.560 1.00 51.43 H new ATOM 0 HD11 ILE B 561 29.909 5.529 -25.778 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.069 3.771 -25.553 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.084 4.726 -24.421 1.00 63.22 H new ATOM 1967 N LYS B 562 34.308 2.328 -23.157 1.00 34.53 N ATOM 1968 CA LYS B 562 35.349 1.749 -23.998 1.00 5.33 C ATOM 1969 C LYS B 562 34.786 0.625 -24.862 1.00 3.44 C ATOM 1970 O LYS B 562 35.053 0.558 -26.063 1.00 74.43 O ATOM 1971 CB LYS B 562 36.495 1.217 -23.134 1.00 55.54 C ATOM 1972 CG LYS B 562 36.112 0.014 -22.289 1.00 23.25 C ATOM 1973 CD LYS B 562 37.317 -0.567 -21.569 1.00 61.12 C ATOM 1974 CE LYS B 562 37.169 -2.066 -21.356 1.00 62.12 C ATOM 1975 NZ LYS B 562 38.490 -2.737 -21.197 1.00 35.51 N1+ ATOM 0 H LYS B 562 33.979 1.715 -22.411 1.00 34.53 H new ATOM 0 HA LYS B 562 35.730 2.532 -24.653 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.330 0.946 -23.780 1.00 55.54 H new ATOM 0 HB3 LYS B 562 36.845 2.014 -22.478 1.00 55.54 H new ATOM 0 HG2 LYS B 562 35.357 0.306 -21.559 1.00 23.25 H new ATOM 0 HG3 LYS B 562 35.663 -0.750 -22.924 1.00 23.25 H new ATOM 0 HD2 LYS B 562 38.219 -0.368 -22.148 1.00 61.12 H new ATOM 0 HD3 LYS B 562 37.440 -0.072 -20.606 1.00 61.12 H new ATOM 0 HE2 LYS B 562 36.560 -2.249 -20.471 1.00 62.12 H new ATOM 0 HE3 LYS B 562 36.639 -2.503 -22.203 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 38.346 -3.757 -21.054 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 39.062 -2.584 -22.052 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 38.985 -2.338 -20.374 1.00 35.51 H new TER 1989 LYS B 562