USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1074 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 87 TYR OH : rot 170:sc= 1.76 USER MOD Set 1.2: A 112 GLN : amide:sc= 0.566 K(o=2.3,f=1.2) USER MOD Set 2.1: A 48 GLN : amide:sc= 1.39 K(o=2.2,f=-3.8!) USER MOD Set 2.2: A 82 GLN : amide:sc= 0.81 K(o=2.2,f=-1.5) USER MOD Set 2.3: A 84 ASN : amide:sc= 0.0435 K(o=2.2,f=-0.42!) USER MOD Set 3.1: A 51 TYR OH : rot 30:sc= 0.793 USER MOD Set 3.2: A 149 SER OG : rot 61:sc= 0.907 USER MOD Set 4.1: A 34 THR OG1 : rot 127:sc= 0.00624 USER MOD Set 4.2: A 47 TYR OH : rot 180:sc= 0.00753 USER MOD Set 5.1: A 10 THR OG1 : rot 140:sc= 0.378 USER MOD Set 5.2: A 15 SER OG : rot -113:sc= 1.06 USER MOD Set 5.3: A 57 SER OG : rot 180:sc= 1.02 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 27 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 29 GLN : amide:sc= 0.982 K(o=0.98,f=-0.65) USER MOD Single : A 31 HIS : +bothHN:sc= 1.76 K(o=1.8,f=-5.4!) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.24) USER MOD Single : A 42 SER OG : rot 127:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.19) USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.018 USER MOD Single : A 58 THR OG1 : rot 77:sc= 0.147 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 135:sc= 1.26 USER MOD Single : A 73 GLN : amide:sc= 0.342 X(o=0.34,f=-0.031) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 80:sc= 0.368 USER MOD Single : A 95 SER OG : rot -23:sc= 0.0104 USER MOD Single : A 96 SER OG : rot 95:sc= 1.19 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 101 CYS SG : rot 78:sc= 0.895 USER MOD Single : A 102 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc= 0.935 (180deg=0.874) USER MOD Single : A 106 GLN : amide:sc= 1.45 K(o=1.4,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.073) USER MOD Single : A 115 SER OG : rot 140:sc= 0.192 USER MOD Single : A 117 GLN : amide:sc= 0.901 K(o=0.9,f=0) USER MOD Single : A 122 MET CE :methyl 179:sc= -0.347 (180deg=-0.351) USER MOD Single : A 128 SER OG : rot -94:sc= 0.52 USER MOD Single : A 130 ASN : amide:sc= 2.2 K(o=2.2,f=-3.9!) USER MOD Single : A 135 THR OG1 : rot -60:sc= 1.26 USER MOD Single : A 137 SER OG : rot 89:sc= 0.815 USER MOD Single : A 138 ASN : amide:sc= 1.03 K(o=1,f=-1) USER MOD Single : A 143 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 146 THR OG1 : rot -48:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.991 0.297 -0.961 1.00 0.00 N ATOM 21 CA ALA A 2 5.420 1.683 -1.174 1.00 0.00 C ATOM 22 C ALA A 2 5.187 2.140 -2.632 1.00 0.00 C ATOM 23 O ALA A 2 4.729 1.368 -3.479 1.00 0.00 O ATOM 24 CB ALA A 2 6.900 1.779 -0.767 1.00 0.00 C ATOM 0 HA ALA A 2 4.823 2.358 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.252 2.800 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.007 1.505 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.491 1.100 -1.381 1.00 0.00 H new ATOM 30 N GLU A 3 5.506 3.402 -2.929 1.00 0.00 N ATOM 31 CA GLU A 3 5.235 4.072 -4.209 1.00 0.00 C ATOM 32 C GLU A 3 6.465 4.928 -4.589 1.00 0.00 C ATOM 33 O GLU A 3 6.758 5.914 -3.907 1.00 0.00 O ATOM 34 CB GLU A 3 3.936 4.885 -4.032 1.00 0.00 C ATOM 35 CG GLU A 3 3.436 5.574 -5.306 1.00 0.00 C ATOM 36 CD GLU A 3 2.053 6.213 -5.075 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.991 7.391 -4.648 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.019 5.544 -5.327 1.00 0.00 O1- ATOM 0 H GLU A 3 5.978 4.011 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 3 5.081 3.376 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.154 4.221 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.099 5.642 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.148 6.339 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.376 4.849 -6.117 1.00 0.00 H new ATOM 45 N ILE A 4 7.208 4.534 -5.637 1.00 0.00 N ATOM 46 CA ILE A 4 8.531 5.107 -5.982 1.00 0.00 C ATOM 47 C ILE A 4 8.531 5.936 -7.270 1.00 0.00 C ATOM 48 O ILE A 4 8.000 5.513 -8.299 1.00 0.00 O ATOM 49 CB ILE A 4 9.626 4.010 -6.147 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.476 2.774 -5.234 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.032 4.615 -5.973 1.00 0.00 C ATOM 52 CD1 ILE A 4 9.555 3.050 -3.737 1.00 0.00 C ATOM 0 H ILE A 4 6.908 3.800 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 4 8.756 5.757 -5.137 1.00 0.00 H new ATOM 0 HB ILE A 4 9.484 3.639 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.518 2.300 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.253 2.055 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.782 3.833 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.191 5.388 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.119 5.053 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.438 2.116 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.523 3.492 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.761 3.740 -3.452 1.00 0.00 H new ATOM 64 N GLY A 5 9.215 7.079 -7.230 1.00 0.00 N ATOM 65 CA GLY A 5 9.533 7.884 -8.410 1.00 0.00 C ATOM 66 C GLY A 5 10.945 7.513 -8.873 1.00 0.00 C ATOM 67 O GLY A 5 11.873 7.521 -8.061 1.00 0.00 O ATOM 0 H GLY A 5 9.570 7.479 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.811 7.697 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.477 8.946 -8.172 1.00 0.00 H new ATOM 71 N ILE A 6 11.111 7.149 -10.147 1.00 0.00 N ATOM 72 CA ILE A 6 12.359 6.599 -10.701 1.00 0.00 C ATOM 73 C ILE A 6 12.842 7.536 -11.809 1.00 0.00 C ATOM 74 O ILE A 6 12.339 7.526 -12.933 1.00 0.00 O ATOM 75 CB ILE A 6 12.188 5.133 -11.158 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.685 4.265 -9.982 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.522 4.593 -11.714 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.524 2.786 -10.336 1.00 0.00 C ATOM 0 H ILE A 6 10.367 7.229 -10.841 1.00 0.00 H new ATOM 0 HA ILE A 6 13.128 6.554 -9.930 1.00 0.00 H new ATOM 0 HB ILE A 6 11.445 5.090 -11.954 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.383 4.357 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.726 4.654 -9.639 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.391 3.559 -12.033 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.834 5.199 -12.565 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.285 4.639 -10.937 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.168 2.239 -9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.804 2.682 -11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.486 2.380 -10.651 1.00 0.00 H new ATOM 90 N PHE A 7 13.826 8.366 -11.479 1.00 0.00 N ATOM 91 CA PHE A 7 14.257 9.485 -12.314 1.00 0.00 C ATOM 92 C PHE A 7 15.501 9.155 -13.136 1.00 0.00 C ATOM 93 O PHE A 7 16.559 8.816 -12.594 1.00 0.00 O ATOM 94 CB PHE A 7 14.457 10.706 -11.408 1.00 0.00 C ATOM 95 CG PHE A 7 13.230 10.996 -10.559 1.00 0.00 C ATOM 96 CD1 PHE A 7 13.086 10.385 -9.300 1.00 0.00 C ATOM 97 CD2 PHE A 7 12.199 11.817 -11.051 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.951 10.628 -8.516 1.00 0.00 C ATOM 99 CE2 PHE A 7 11.040 12.029 -10.284 1.00 0.00 C ATOM 100 CZ PHE A 7 10.913 11.434 -9.015 1.00 0.00 C ATOM 0 H PHE A 7 14.355 8.280 -10.611 1.00 0.00 H new ATOM 0 HA PHE A 7 13.487 9.705 -13.053 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.315 10.538 -10.758 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.687 11.578 -12.021 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.857 9.723 -8.935 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.298 12.285 -12.019 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.873 10.197 -7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.245 12.650 -10.670 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.022 11.596 -8.427 1.00 0.00 H new ATOM 110 N VAL A 8 15.352 9.247 -14.459 1.00 0.00 N ATOM 111 CA VAL A 8 16.409 8.991 -15.442 1.00 0.00 C ATOM 112 C VAL A 8 17.273 10.239 -15.648 1.00 0.00 C ATOM 113 O VAL A 8 16.774 11.364 -15.705 1.00 0.00 O ATOM 114 CB VAL A 8 15.794 8.552 -16.786 1.00 0.00 C ATOM 115 CG1 VAL A 8 16.853 8.200 -17.839 1.00 0.00 C ATOM 116 CG2 VAL A 8 14.925 7.298 -16.602 1.00 0.00 C ATOM 0 H VAL A 8 14.466 9.510 -14.890 1.00 0.00 H new ATOM 0 HA VAL A 8 17.041 8.189 -15.060 1.00 0.00 H new ATOM 0 HB VAL A 8 15.207 9.405 -17.128 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.361 7.898 -18.763 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.480 9.071 -18.029 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.471 7.380 -17.473 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.501 7.005 -17.562 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.538 6.485 -16.213 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.119 7.513 -15.900 1.00 0.00 H new ATOM 126 N GLY A 9 18.574 10.016 -15.841 1.00 0.00 N ATOM 127 CA GLY A 9 19.557 11.037 -16.201 1.00 0.00 C ATOM 128 C GLY A 9 20.568 10.471 -17.192 1.00 0.00 C ATOM 129 O GLY A 9 21.669 10.103 -16.803 1.00 0.00 O ATOM 0 H GLY A 9 18.986 9.087 -15.748 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.053 11.899 -16.638 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.071 11.388 -15.306 1.00 0.00 H new ATOM 133 N THR A 10 20.184 10.330 -18.463 1.00 0.00 N ATOM 134 CA THR A 10 21.020 9.700 -19.510 1.00 0.00 C ATOM 135 C THR A 10 21.295 10.642 -20.683 1.00 0.00 C ATOM 136 O THR A 10 20.503 11.540 -20.967 1.00 0.00 O ATOM 137 CB THR A 10 20.387 8.392 -20.008 1.00 0.00 C ATOM 138 OG1 THR A 10 21.337 7.705 -20.795 1.00 0.00 O ATOM 139 CG2 THR A 10 19.176 8.555 -20.913 1.00 0.00 C ATOM 0 H THR A 10 19.278 10.650 -18.806 1.00 0.00 H new ATOM 0 HA THR A 10 21.980 9.471 -19.047 1.00 0.00 H new ATOM 0 HB THR A 10 20.071 7.875 -19.102 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.290 6.745 -20.602 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.807 7.573 -21.207 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.392 9.092 -20.379 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.460 9.117 -21.803 1.00 0.00 H new ATOM 147 N MET A 11 22.407 10.402 -21.383 1.00 0.00 N ATOM 148 CA MET A 11 22.721 11.060 -22.655 1.00 0.00 C ATOM 149 C MET A 11 22.188 10.276 -23.875 1.00 0.00 C ATOM 150 O MET A 11 21.865 10.897 -24.889 1.00 0.00 O ATOM 151 CB MET A 11 24.246 11.253 -22.737 1.00 0.00 C ATOM 152 CG MET A 11 24.632 12.445 -23.620 1.00 0.00 C ATOM 153 SD MET A 11 24.208 14.044 -22.872 1.00 0.00 S ATOM 154 CE MET A 11 24.889 15.160 -24.123 1.00 0.00 C ATOM 0 H MET A 11 23.121 9.740 -21.080 1.00 0.00 H new ATOM 0 HA MET A 11 22.219 12.027 -22.684 1.00 0.00 H new ATOM 0 HB2 MET A 11 24.646 11.401 -21.734 1.00 0.00 H new ATOM 0 HB3 MET A 11 24.705 10.347 -23.132 1.00 0.00 H new ATOM 0 HG2 MET A 11 25.704 12.414 -23.816 1.00 0.00 H new ATOM 0 HG3 MET A 11 24.129 12.355 -24.583 1.00 0.00 H new ATOM 0 HE1 MET A 11 24.716 16.193 -23.822 1.00 0.00 H new ATOM 0 HE2 MET A 11 25.960 14.986 -24.221 1.00 0.00 H new ATOM 0 HE3 MET A 11 24.402 14.974 -25.080 1.00 0.00 H new ATOM 164 N TYR A 12 22.064 8.935 -23.781 1.00 0.00 N ATOM 165 CA TYR A 12 21.770 8.059 -24.940 1.00 0.00 C ATOM 166 C TYR A 12 20.904 6.805 -24.666 1.00 0.00 C ATOM 167 O TYR A 12 20.393 6.237 -25.635 1.00 0.00 O ATOM 168 CB TYR A 12 23.080 7.602 -25.621 1.00 0.00 C ATOM 169 CG TYR A 12 24.111 8.678 -25.929 1.00 0.00 C ATOM 170 CD1 TYR A 12 23.864 9.634 -26.932 1.00 0.00 C ATOM 171 CD2 TYR A 12 25.335 8.703 -25.229 1.00 0.00 C ATOM 172 CE1 TYR A 12 24.816 10.636 -27.215 1.00 0.00 C ATOM 173 CE2 TYR A 12 26.290 9.700 -25.506 1.00 0.00 C ATOM 174 CZ TYR A 12 26.032 10.673 -26.495 1.00 0.00 C ATOM 175 OH TYR A 12 26.959 11.635 -26.752 1.00 0.00 O ATOM 0 H TYR A 12 22.164 8.428 -22.902 1.00 0.00 H new ATOM 0 HA TYR A 12 21.166 8.698 -25.584 1.00 0.00 H new ATOM 0 HB2 TYR A 12 23.551 6.855 -24.982 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.820 7.105 -26.555 1.00 0.00 H new ATOM 0 HD1 TYR A 12 22.939 9.600 -27.489 1.00 0.00 H new ATOM 0 HD2 TYR A 12 25.541 7.955 -24.478 1.00 0.00 H new ATOM 0 HE1 TYR A 12 24.616 11.372 -27.979 1.00 0.00 H new ATOM 0 HE2 TYR A 12 27.222 9.720 -24.960 1.00 0.00 H new ATOM 0 HH TYR A 12 27.733 11.509 -26.164 1.00 0.00 H new ATOM 185 N GLY A 13 20.714 6.353 -23.409 1.00 0.00 N ATOM 186 CA GLY A 13 19.774 5.254 -23.091 1.00 0.00 C ATOM 187 C GLY A 13 20.261 4.131 -22.154 1.00 0.00 C ATOM 188 O GLY A 13 19.433 3.365 -21.658 1.00 0.00 O ATOM 0 H GLY A 13 21.199 6.732 -22.596 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.882 5.696 -22.647 1.00 0.00 H new ATOM 0 HA3 GLY A 13 19.468 4.795 -24.031 1.00 0.00 H new ATOM 192 N ASN A 14 21.565 3.994 -21.881 1.00 0.00 N ATOM 193 CA ASN A 14 22.084 2.843 -21.109 1.00 0.00 C ATOM 194 C ASN A 14 21.542 2.788 -19.669 1.00 0.00 C ATOM 195 O ASN A 14 21.136 1.726 -19.198 1.00 0.00 O ATOM 196 CB ASN A 14 23.627 2.836 -21.105 1.00 0.00 C ATOM 197 CG ASN A 14 24.255 2.638 -22.480 1.00 0.00 C ATOM 198 OD1 ASN A 14 23.670 2.075 -23.396 1.00 0.00 O ATOM 199 ND2 ASN A 14 25.473 3.088 -22.679 1.00 0.00 N ATOM 0 H ASN A 14 22.280 4.657 -22.178 1.00 0.00 H new ATOM 0 HA ASN A 14 21.723 1.947 -21.615 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.982 3.778 -20.688 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.974 2.043 -20.442 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.919 2.966 -23.588 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.972 3.559 -21.925 1.00 0.00 H new ATOM 206 N SER A 15 21.483 3.934 -18.977 1.00 0.00 N ATOM 207 CA SER A 15 20.872 4.014 -17.633 1.00 0.00 C ATOM 208 C SER A 15 19.333 4.039 -17.670 1.00 0.00 C ATOM 209 O SER A 15 18.696 3.536 -16.748 1.00 0.00 O ATOM 210 CB SER A 15 21.465 5.195 -16.863 1.00 0.00 C ATOM 211 OG SER A 15 21.223 6.395 -17.559 1.00 0.00 O ATOM 0 H SER A 15 21.850 4.821 -19.321 1.00 0.00 H new ATOM 0 HA SER A 15 21.120 3.098 -17.097 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.025 5.248 -15.867 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.537 5.052 -16.731 1.00 0.00 H new ATOM 0 HG SER A 15 22.073 6.767 -17.875 1.00 0.00 H new ATOM 217 N LEU A 16 18.711 4.507 -18.761 1.00 0.00 N ATOM 218 CA LEU A 16 17.255 4.398 -18.979 1.00 0.00 C ATOM 219 C LEU A 16 16.773 2.937 -18.962 1.00 0.00 C ATOM 220 O LEU A 16 15.782 2.637 -18.297 1.00 0.00 O ATOM 221 CB LEU A 16 16.874 5.100 -20.299 1.00 0.00 C ATOM 222 CG LEU A 16 15.443 4.847 -20.813 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.375 5.392 -19.872 1.00 0.00 C ATOM 224 CD2 LEU A 16 15.275 5.522 -22.175 1.00 0.00 C ATOM 0 H LEU A 16 19.203 4.975 -19.523 1.00 0.00 H new ATOM 0 HA LEU A 16 16.750 4.897 -18.152 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.006 6.174 -20.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.576 4.785 -21.070 1.00 0.00 H new ATOM 0 HG LEU A 16 15.311 3.767 -20.881 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.387 5.186 -20.284 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.469 4.912 -18.898 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.504 6.469 -19.760 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.265 5.347 -22.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.444 6.594 -22.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.996 5.106 -22.879 1.00 0.00 H new ATOM 236 N LEU A 17 17.485 2.017 -19.627 1.00 0.00 N ATOM 237 CA LEU A 17 17.155 0.584 -19.605 1.00 0.00 C ATOM 238 C LEU A 17 17.050 0.050 -18.168 1.00 0.00 C ATOM 239 O LEU A 17 16.098 -0.652 -17.822 1.00 0.00 O ATOM 240 CB LEU A 17 18.226 -0.187 -20.408 1.00 0.00 C ATOM 241 CG LEU A 17 18.139 -1.726 -20.299 1.00 0.00 C ATOM 242 CD1 LEU A 17 16.837 -2.280 -20.879 1.00 0.00 C ATOM 243 CD2 LEU A 17 19.318 -2.370 -21.028 1.00 0.00 C ATOM 0 H LEU A 17 18.303 2.243 -20.193 1.00 0.00 H new ATOM 0 HA LEU A 17 16.178 0.437 -20.066 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.144 0.093 -21.458 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.212 0.131 -20.070 1.00 0.00 H new ATOM 0 HG LEU A 17 18.166 -1.969 -19.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.826 -3.365 -20.778 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.989 -1.857 -20.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.766 -2.014 -21.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 19.248 -3.455 -20.946 1.00 0.00 H new ATOM 0 HD22 LEU A 17 19.296 -2.084 -22.079 1.00 0.00 H new ATOM 0 HD23 LEU A 17 20.252 -2.032 -20.579 1.00 0.00 H new ATOM 255 N VAL A 18 18.015 0.413 -17.317 1.00 0.00 N ATOM 256 CA VAL A 18 18.010 0.042 -15.898 1.00 0.00 C ATOM 257 C VAL A 18 16.818 0.650 -15.153 1.00 0.00 C ATOM 258 O VAL A 18 16.221 -0.022 -14.319 1.00 0.00 O ATOM 259 CB VAL A 18 19.337 0.428 -15.227 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.297 0.143 -13.729 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.501 -0.356 -15.843 1.00 0.00 C ATOM 0 H VAL A 18 18.822 0.973 -17.593 1.00 0.00 H new ATOM 0 HA VAL A 18 17.903 -1.041 -15.845 1.00 0.00 H new ATOM 0 HB VAL A 18 19.484 1.496 -15.388 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.249 0.426 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.494 0.719 -13.270 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.120 -0.920 -13.565 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.432 -0.069 -15.355 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.334 -1.424 -15.705 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.566 -0.133 -16.908 1.00 0.00 H new ATOM 271 N ALA A 19 16.432 1.892 -15.455 1.00 0.00 N ATOM 272 CA ALA A 19 15.265 2.527 -14.843 1.00 0.00 C ATOM 273 C ALA A 19 13.939 1.836 -15.221 1.00 0.00 C ATOM 274 O ALA A 19 13.076 1.651 -14.362 1.00 0.00 O ATOM 275 CB ALA A 19 15.253 4.004 -15.240 1.00 0.00 C ATOM 0 H ALA A 19 16.919 2.483 -16.129 1.00 0.00 H new ATOM 0 HA ALA A 19 15.347 2.429 -13.761 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.389 4.494 -14.792 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.166 4.483 -14.886 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.196 4.089 -16.325 1.00 0.00 H new ATOM 281 N GLU A 20 13.783 1.406 -16.478 1.00 0.00 N ATOM 282 CA GLU A 20 12.636 0.597 -16.917 1.00 0.00 C ATOM 283 C GLU A 20 12.581 -0.769 -16.200 1.00 0.00 C ATOM 284 O GLU A 20 11.518 -1.177 -15.725 1.00 0.00 O ATOM 285 CB GLU A 20 12.675 0.389 -18.442 1.00 0.00 C ATOM 286 CG GLU A 20 12.471 1.688 -19.233 1.00 0.00 C ATOM 287 CD GLU A 20 12.355 1.394 -20.740 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.397 1.255 -21.428 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.212 1.296 -21.251 1.00 0.00 O1- ATOM 0 H GLU A 20 14.449 1.609 -17.223 1.00 0.00 H new ATOM 0 HA GLU A 20 11.734 1.148 -16.650 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.633 -0.051 -18.718 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.903 -0.326 -18.725 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.570 2.194 -18.886 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.306 2.365 -19.052 1.00 0.00 H new ATOM 296 N GLU A 21 13.720 -1.457 -16.060 1.00 0.00 N ATOM 297 CA GLU A 21 13.827 -2.689 -15.264 1.00 0.00 C ATOM 298 C GLU A 21 13.515 -2.452 -13.776 1.00 0.00 C ATOM 299 O GLU A 21 12.788 -3.242 -13.171 1.00 0.00 O ATOM 300 CB GLU A 21 15.229 -3.301 -15.404 1.00 0.00 C ATOM 301 CG GLU A 21 15.472 -3.960 -16.768 1.00 0.00 C ATOM 302 CD GLU A 21 14.684 -5.277 -16.904 1.00 0.00 C ATOM 303 OE1 GLU A 21 15.110 -6.312 -16.336 1.00 0.00 O ATOM 304 OE2 GLU A 21 13.621 -5.281 -17.575 1.00 0.00 O1- ATOM 0 H GLU A 21 14.598 -1.175 -16.497 1.00 0.00 H new ATOM 0 HA GLU A 21 13.082 -3.382 -15.655 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.975 -2.522 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.373 -4.043 -14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.178 -3.274 -17.563 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.537 -4.156 -16.894 1.00 0.00 H new ATOM 311 N ALA A 22 14.008 -1.359 -13.184 1.00 0.00 N ATOM 312 CA ALA A 22 13.723 -1.001 -11.798 1.00 0.00 C ATOM 313 C ALA A 22 12.219 -0.804 -11.551 1.00 0.00 C ATOM 314 O ALA A 22 11.673 -1.355 -10.596 1.00 0.00 O ATOM 315 CB ALA A 22 14.523 0.254 -11.423 1.00 0.00 C ATOM 0 H ALA A 22 14.620 -0.696 -13.660 1.00 0.00 H new ATOM 0 HA ALA A 22 14.032 -1.826 -11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.312 0.524 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.588 0.054 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.237 1.077 -12.078 1.00 0.00 H new ATOM 321 N GLU A 23 11.535 -0.070 -12.440 1.00 0.00 N ATOM 322 CA GLU A 23 10.081 0.109 -12.391 1.00 0.00 C ATOM 323 C GLU A 23 9.347 -1.245 -12.380 1.00 0.00 C ATOM 324 O GLU A 23 8.494 -1.479 -11.518 1.00 0.00 O ATOM 325 CB GLU A 23 9.618 0.984 -13.575 1.00 0.00 C ATOM 326 CG GLU A 23 8.225 1.582 -13.333 1.00 0.00 C ATOM 327 CD GLU A 23 7.521 2.019 -14.633 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.338 1.180 -15.548 1.00 0.00 O1- ATOM 329 OE2 GLU A 23 7.108 3.200 -14.722 1.00 0.00 O ATOM 0 H GLU A 23 11.980 0.418 -13.217 1.00 0.00 H new ATOM 0 HA GLU A 23 9.829 0.618 -11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.336 1.788 -13.735 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.603 0.385 -14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.605 0.847 -12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.315 2.442 -12.669 1.00 0.00 H new ATOM 336 N ALA A 24 9.722 -2.163 -13.280 1.00 0.00 N ATOM 337 CA ALA A 24 9.155 -3.508 -13.352 1.00 0.00 C ATOM 338 C ALA A 24 9.413 -4.336 -12.076 1.00 0.00 C ATOM 339 O ALA A 24 8.474 -4.913 -11.530 1.00 0.00 O ATOM 340 CB ALA A 24 9.704 -4.206 -14.602 1.00 0.00 C ATOM 0 H ALA A 24 10.437 -1.986 -13.986 1.00 0.00 H new ATOM 0 HA ALA A 24 8.071 -3.423 -13.425 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.289 -5.212 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.423 -3.638 -15.489 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.791 -4.265 -14.538 1.00 0.00 H new ATOM 346 N ILE A 25 10.647 -4.366 -11.558 1.00 0.00 N ATOM 347 CA ILE A 25 11.024 -5.111 -10.346 1.00 0.00 C ATOM 348 C ILE A 25 10.225 -4.664 -9.116 1.00 0.00 C ATOM 349 O ILE A 25 9.726 -5.508 -8.373 1.00 0.00 O ATOM 350 CB ILE A 25 12.547 -4.960 -10.122 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.321 -5.784 -11.177 1.00 0.00 C ATOM 352 CG2 ILE A 25 12.962 -5.402 -8.709 1.00 0.00 C ATOM 353 CD1 ILE A 25 14.787 -5.365 -11.321 1.00 0.00 C ATOM 0 H ILE A 25 11.429 -3.863 -11.977 1.00 0.00 H new ATOM 0 HA ILE A 25 10.780 -6.163 -10.491 1.00 0.00 H new ATOM 0 HB ILE A 25 12.793 -3.904 -10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.277 -6.839 -10.907 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.825 -5.682 -12.142 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.039 -5.281 -8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.445 -4.790 -7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.697 -6.449 -8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.270 -5.984 -12.077 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.838 -4.319 -11.622 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.298 -5.494 -10.367 1.00 0.00 H new ATOM 365 N LEU A 26 10.067 -3.357 -8.894 1.00 0.00 N ATOM 366 CA LEU A 26 9.373 -2.831 -7.714 1.00 0.00 C ATOM 367 C LEU A 26 7.870 -3.125 -7.821 1.00 0.00 C ATOM 368 O LEU A 26 7.248 -3.603 -6.870 1.00 0.00 O ATOM 369 CB LEU A 26 9.684 -1.324 -7.608 1.00 0.00 C ATOM 370 CG LEU A 26 11.116 -1.062 -7.088 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.635 0.292 -7.563 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.168 -1.101 -5.557 1.00 0.00 C ATOM 0 H LEU A 26 10.415 -2.635 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 26 9.718 -3.315 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.563 -0.859 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.964 -0.852 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 26 11.748 -1.854 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.644 0.449 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.651 0.314 -8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.981 1.082 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.188 -0.913 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.506 -0.336 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.846 -2.082 -5.207 1.00 0.00 H new ATOM 384 N THR A 27 7.326 -2.941 -9.026 1.00 0.00 N ATOM 385 CA THR A 27 5.957 -3.318 -9.396 1.00 0.00 C ATOM 386 C THR A 27 5.674 -4.812 -9.159 1.00 0.00 C ATOM 387 O THR A 27 4.625 -5.163 -8.619 1.00 0.00 O ATOM 388 CB THR A 27 5.706 -2.928 -10.860 1.00 0.00 C ATOM 389 OG1 THR A 27 5.867 -1.536 -11.023 1.00 0.00 O ATOM 390 CG2 THR A 27 4.303 -3.263 -11.333 1.00 0.00 C ATOM 0 H THR A 27 7.840 -2.513 -9.796 1.00 0.00 H new ATOM 0 HA THR A 27 5.266 -2.775 -8.751 1.00 0.00 H new ATOM 0 HB THR A 27 6.426 -3.498 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.733 -1.354 -11.444 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.189 -2.963 -12.375 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.136 -4.336 -11.244 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.576 -2.730 -10.720 1.00 0.00 H new ATOM 398 N ALA A 28 6.611 -5.698 -9.517 1.00 0.00 N ATOM 399 CA ALA A 28 6.495 -7.145 -9.325 1.00 0.00 C ATOM 400 C ALA A 28 6.634 -7.582 -7.851 1.00 0.00 C ATOM 401 O ALA A 28 5.889 -8.452 -7.390 1.00 0.00 O ATOM 402 CB ALA A 28 7.569 -7.825 -10.187 1.00 0.00 C ATOM 0 H ALA A 28 7.489 -5.421 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 28 5.493 -7.448 -9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.505 -8.906 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.410 -7.570 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.556 -7.482 -9.876 1.00 0.00 H new ATOM 408 N GLN A 29 7.588 -7.000 -7.112 1.00 0.00 N ATOM 409 CA GLN A 29 7.955 -7.448 -5.764 1.00 0.00 C ATOM 410 C GLN A 29 6.889 -7.144 -4.693 1.00 0.00 C ATOM 411 O GLN A 29 6.676 -7.969 -3.800 1.00 0.00 O ATOM 412 CB GLN A 29 9.316 -6.834 -5.395 1.00 0.00 C ATOM 413 CG GLN A 29 9.880 -7.415 -4.091 1.00 0.00 C ATOM 414 CD GLN A 29 11.323 -6.982 -3.857 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.602 -5.909 -3.343 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.296 -7.789 -4.220 1.00 0.00 N ATOM 0 H GLN A 29 8.130 -6.199 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 29 8.024 -8.536 -5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.024 -7.010 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.210 -5.754 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.263 -7.092 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.828 -8.503 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.079 -8.688 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.267 -7.516 -4.071 1.00 0.00 H new ATOM 425 N GLY A 30 6.209 -5.993 -4.782 1.00 0.00 N ATOM 426 CA GLY A 30 5.144 -5.629 -3.829 1.00 0.00 C ATOM 427 C GLY A 30 4.844 -4.132 -3.681 1.00 0.00 C ATOM 428 O GLY A 30 4.307 -3.725 -2.650 1.00 0.00 O ATOM 0 H GLY A 30 6.376 -5.294 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.227 -6.133 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.414 -6.022 -2.849 1.00 0.00 H new ATOM 432 N HIS A 31 5.199 -3.314 -4.679 1.00 0.00 N ATOM 433 CA HIS A 31 5.148 -1.844 -4.637 1.00 0.00 C ATOM 434 C HIS A 31 4.504 -1.274 -5.913 1.00 0.00 C ATOM 435 O HIS A 31 4.059 -2.015 -6.789 1.00 0.00 O ATOM 436 CB HIS A 31 6.584 -1.306 -4.456 1.00 0.00 C ATOM 437 CG HIS A 31 7.312 -1.879 -3.267 1.00 0.00 C ATOM 438 ND1 HIS A 31 6.931 -1.719 -1.935 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.456 -2.621 -3.323 1.00 0.00 C ATOM 440 CE1 HIS A 31 7.868 -2.353 -1.211 1.00 0.00 C ATOM 441 NE2 HIS A 31 8.793 -2.900 -2.018 1.00 0.00 N ATOM 0 H HIS A 31 5.543 -3.669 -5.572 1.00 0.00 H new ATOM 0 HA HIS A 31 4.529 -1.527 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.157 -1.522 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.544 -0.221 -4.355 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.111 -1.224 -1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.989 -2.927 -4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.877 -2.414 -0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.608 -3.433 -1.714 1.00 0.00 H new ATOM 449 N LYS A 32 4.486 0.058 -6.024 1.00 0.00 N ATOM 450 CA LYS A 32 4.123 0.807 -7.237 1.00 0.00 C ATOM 451 C LYS A 32 5.316 1.671 -7.645 1.00 0.00 C ATOM 452 O LYS A 32 6.035 2.174 -6.783 1.00 0.00 O ATOM 453 CB LYS A 32 2.851 1.630 -6.963 1.00 0.00 C ATOM 454 CG LYS A 32 2.201 2.167 -8.252 1.00 0.00 C ATOM 455 CD LYS A 32 1.142 3.248 -7.990 1.00 0.00 C ATOM 456 CE LYS A 32 0.000 2.788 -7.070 1.00 0.00 C ATOM 457 NZ LYS A 32 -0.839 3.939 -6.643 1.00 0.00 N1+ ATOM 0 H LYS A 32 4.732 0.669 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 32 3.896 0.140 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.131 1.011 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.098 2.467 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.977 2.577 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.740 1.339 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.626 4.118 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.721 3.570 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.618 2.056 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.413 2.290 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.677 3.589 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.287 4.556 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.140 4.478 -7.480 1.00 0.00 H new ATOM 471 N ALA A 33 5.548 1.847 -8.940 1.00 0.00 N ATOM 472 CA ALA A 33 6.647 2.671 -9.437 1.00 0.00 C ATOM 473 C ALA A 33 6.278 3.422 -10.726 1.00 0.00 C ATOM 474 O ALA A 33 5.466 2.946 -11.525 1.00 0.00 O ATOM 475 CB ALA A 33 7.872 1.768 -9.638 1.00 0.00 C ATOM 0 H ALA A 33 4.982 1.424 -9.675 1.00 0.00 H new ATOM 0 HA ALA A 33 6.874 3.445 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.706 2.364 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.147 1.311 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.634 0.987 -10.360 1.00 0.00 H new ATOM 481 N THR A 34 6.940 4.564 -10.937 1.00 0.00 N ATOM 482 CA THR A 34 6.800 5.407 -12.133 1.00 0.00 C ATOM 483 C THR A 34 8.175 5.885 -12.580 1.00 0.00 C ATOM 484 O THR A 34 8.840 6.637 -11.864 1.00 0.00 O ATOM 485 CB THR A 34 5.895 6.624 -11.868 1.00 0.00 C ATOM 486 OG1 THR A 34 4.641 6.219 -11.353 1.00 0.00 O ATOM 487 CG2 THR A 34 5.606 7.406 -13.150 1.00 0.00 C ATOM 0 H THR A 34 7.607 4.940 -10.263 1.00 0.00 H new ATOM 0 HA THR A 34 6.336 4.807 -12.916 1.00 0.00 H new ATOM 0 HB THR A 34 6.433 7.248 -11.154 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.454 6.708 -10.525 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.964 8.257 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.543 7.763 -13.577 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.104 6.756 -13.867 1.00 0.00 H new ATOM 495 N VAL A 35 8.625 5.430 -13.749 1.00 0.00 N ATOM 496 CA VAL A 35 9.828 5.949 -14.411 1.00 0.00 C ATOM 497 C VAL A 35 9.554 7.302 -15.089 1.00 0.00 C ATOM 498 O VAL A 35 8.457 7.543 -15.598 1.00 0.00 O ATOM 499 CB VAL A 35 10.434 4.896 -15.362 1.00 0.00 C ATOM 500 CG1 VAL A 35 9.606 4.625 -16.621 1.00 0.00 C ATOM 501 CG2 VAL A 35 11.859 5.265 -15.787 1.00 0.00 C ATOM 0 H VAL A 35 8.163 4.685 -14.270 1.00 0.00 H new ATOM 0 HA VAL A 35 10.585 6.145 -13.652 1.00 0.00 H new ATOM 0 HB VAL A 35 10.438 3.981 -14.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.107 3.873 -17.231 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.618 4.263 -16.336 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.503 5.546 -17.194 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.249 4.498 -16.456 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.848 6.225 -16.303 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.495 5.335 -14.905 1.00 0.00 H new ATOM 511 N PHE A 36 10.568 8.172 -15.125 1.00 0.00 N ATOM 512 CA PHE A 36 10.517 9.525 -15.678 1.00 0.00 C ATOM 513 C PHE A 36 11.765 9.745 -16.537 1.00 0.00 C ATOM 514 O PHE A 36 12.876 9.867 -16.024 1.00 0.00 O ATOM 515 CB PHE A 36 10.424 10.570 -14.557 1.00 0.00 C ATOM 516 CG PHE A 36 9.177 10.501 -13.695 1.00 0.00 C ATOM 517 CD1 PHE A 36 7.960 11.024 -14.175 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.236 9.945 -12.401 1.00 0.00 C ATOM 519 CE1 PHE A 36 6.809 10.989 -13.368 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.083 9.916 -11.593 1.00 0.00 C ATOM 521 CZ PHE A 36 6.871 10.438 -12.078 1.00 0.00 C ATOM 0 H PHE A 36 11.488 7.939 -14.752 1.00 0.00 H new ATOM 0 HA PHE A 36 9.626 9.639 -16.295 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.296 10.462 -13.912 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.479 11.562 -15.005 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.911 11.453 -15.165 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.166 9.541 -12.029 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.876 11.386 -13.741 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.130 9.493 -10.601 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.987 10.415 -11.458 1.00 0.00 H new ATOM 531 N GLU A 37 11.578 9.718 -17.856 1.00 0.00 N ATOM 532 CA GLU A 37 12.652 9.694 -18.859 1.00 0.00 C ATOM 533 C GLU A 37 13.349 11.056 -19.067 1.00 0.00 C ATOM 534 O GLU A 37 14.532 11.108 -19.406 1.00 0.00 O ATOM 535 CB GLU A 37 12.043 9.235 -20.191 1.00 0.00 C ATOM 536 CG GLU A 37 11.409 7.838 -20.141 1.00 0.00 C ATOM 537 CD GLU A 37 10.830 7.456 -21.518 1.00 0.00 C ATOM 538 OE1 GLU A 37 11.583 6.943 -22.380 1.00 0.00 O1- ATOM 539 OE2 GLU A 37 9.614 7.664 -21.750 1.00 0.00 O ATOM 0 H GLU A 37 10.647 9.712 -18.273 1.00 0.00 H new ATOM 0 HA GLU A 37 13.421 9.012 -18.495 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.285 9.955 -20.499 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.820 9.243 -20.955 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.156 7.104 -19.838 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.619 7.818 -19.390 1.00 0.00 H new ATOM 546 N ASP A 38 12.611 12.152 -18.865 1.00 0.00 N ATOM 547 CA ASP A 38 13.053 13.547 -19.026 1.00 0.00 C ATOM 548 C ASP A 38 12.296 14.451 -18.022 1.00 0.00 C ATOM 549 O ASP A 38 11.431 15.246 -18.417 1.00 0.00 O ATOM 550 CB ASP A 38 12.850 13.962 -20.496 1.00 0.00 C ATOM 551 CG ASP A 38 13.325 15.396 -20.793 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.418 15.790 -20.316 1.00 0.00 O ATOM 553 OD2 ASP A 38 12.626 16.119 -21.547 1.00 0.00 O1- ATOM 0 H ASP A 38 11.637 12.090 -18.569 1.00 0.00 H new ATOM 0 HA ASP A 38 14.114 13.656 -18.800 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.388 13.267 -21.141 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.793 13.877 -20.748 1.00 0.00 H new ATOM 558 N PRO A 39 12.521 14.254 -16.706 1.00 0.00 N ATOM 559 CA PRO A 39 11.728 14.876 -15.645 1.00 0.00 C ATOM 560 C PRO A 39 11.968 16.389 -15.482 1.00 0.00 C ATOM 561 O PRO A 39 12.905 16.977 -16.034 1.00 0.00 O ATOM 562 CB PRO A 39 12.132 14.132 -14.362 1.00 0.00 C ATOM 563 CG PRO A 39 13.566 13.683 -14.633 1.00 0.00 C ATOM 564 CD PRO A 39 13.555 13.399 -16.133 1.00 0.00 C ATOM 0 HA PRO A 39 10.667 14.795 -15.883 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.075 14.782 -13.489 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.477 13.282 -14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 39 14.288 14.457 -14.373 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.828 12.796 -14.056 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.527 13.615 -16.576 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.342 12.348 -16.328 1.00 0.00 H new ATOM 572 N GLU A 40 11.133 17.000 -14.643 1.00 0.00 N ATOM 573 CA GLU A 40 11.261 18.363 -14.113 1.00 0.00 C ATOM 574 C GLU A 40 11.073 18.324 -12.582 1.00 0.00 C ATOM 575 O GLU A 40 10.657 17.302 -12.025 1.00 0.00 O ATOM 576 CB GLU A 40 10.289 19.341 -14.801 1.00 0.00 C ATOM 577 CG GLU A 40 8.802 19.010 -14.606 1.00 0.00 C ATOM 578 CD GLU A 40 7.920 20.197 -15.031 1.00 0.00 C ATOM 579 OE1 GLU A 40 7.605 20.328 -16.239 1.00 0.00 O ATOM 580 OE2 GLU A 40 7.536 21.009 -14.151 1.00 0.00 O1- ATOM 0 H GLU A 40 10.298 16.531 -14.292 1.00 0.00 H new ATOM 0 HA GLU A 40 12.259 18.742 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.477 20.346 -14.422 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.507 19.358 -15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.541 18.129 -15.192 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.613 18.766 -13.561 1.00 0.00 H new ATOM 587 N LEU A 41 11.366 19.420 -11.869 1.00 0.00 N ATOM 588 CA LEU A 41 11.258 19.459 -10.398 1.00 0.00 C ATOM 589 C LEU A 41 9.852 19.059 -9.902 1.00 0.00 C ATOM 590 O LEU A 41 9.729 18.352 -8.903 1.00 0.00 O ATOM 591 CB LEU A 41 11.683 20.850 -9.883 1.00 0.00 C ATOM 592 CG LEU A 41 12.556 20.826 -8.616 1.00 0.00 C ATOM 593 CD1 LEU A 41 12.822 22.259 -8.163 1.00 0.00 C ATOM 594 CD2 LEU A 41 11.942 20.082 -7.432 1.00 0.00 C ATOM 0 H LEU A 41 11.681 20.296 -12.286 1.00 0.00 H new ATOM 0 HA LEU A 41 11.938 18.714 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.228 21.365 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.787 21.437 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 41 13.463 20.293 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.440 22.248 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.341 22.800 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.875 22.753 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.627 20.117 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.999 20.553 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.761 19.043 -7.709 1.00 0.00 H new ATOM 606 N SER A 42 8.802 19.420 -10.645 1.00 0.00 N ATOM 607 CA SER A 42 7.409 19.033 -10.369 1.00 0.00 C ATOM 608 C SER A 42 7.170 17.513 -10.308 1.00 0.00 C ATOM 609 O SER A 42 6.200 17.082 -9.682 1.00 0.00 O ATOM 610 CB SER A 42 6.457 19.616 -11.425 1.00 0.00 C ATOM 611 OG SER A 42 6.701 20.992 -11.664 1.00 0.00 O ATOM 0 H SER A 42 8.896 20.004 -11.476 1.00 0.00 H new ATOM 0 HA SER A 42 7.206 19.442 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.568 19.062 -12.357 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.426 19.483 -11.096 1.00 0.00 H new ATOM 0 HG SER A 42 6.822 21.141 -12.625 1.00 0.00 H new ATOM 617 N ASP A 43 8.029 16.692 -10.929 1.00 0.00 N ATOM 618 CA ASP A 43 7.965 15.227 -10.834 1.00 0.00 C ATOM 619 C ASP A 43 8.666 14.688 -9.575 1.00 0.00 C ATOM 620 O ASP A 43 8.171 13.741 -8.963 1.00 0.00 O ATOM 621 CB ASP A 43 8.586 14.574 -12.076 1.00 0.00 C ATOM 622 CG ASP A 43 7.907 15.012 -13.385 1.00 0.00 C ATOM 623 OD1 ASP A 43 6.657 14.919 -13.491 1.00 0.00 O ATOM 624 OD2 ASP A 43 8.632 15.428 -14.321 1.00 0.00 O1- ATOM 0 H ASP A 43 8.793 17.028 -11.515 1.00 0.00 H new ATOM 0 HA ASP A 43 6.908 14.969 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.646 14.825 -12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.519 13.490 -11.983 1.00 0.00 H new ATOM 629 N TRP A 44 9.788 15.294 -9.151 1.00 0.00 N ATOM 630 CA TRP A 44 10.471 14.936 -7.896 1.00 0.00 C ATOM 631 C TRP A 44 9.670 15.372 -6.659 1.00 0.00 C ATOM 632 O TRP A 44 9.576 14.633 -5.676 1.00 0.00 O ATOM 633 CB TRP A 44 11.878 15.553 -7.877 1.00 0.00 C ATOM 634 CG TRP A 44 12.746 15.105 -6.745 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.808 15.660 -5.514 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.688 13.990 -6.732 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.705 14.955 -4.733 1.00 0.00 N ATOM 638 CE2 TRP A 44 14.264 13.904 -5.432 1.00 0.00 C ATOM 639 CE3 TRP A 44 14.105 13.036 -7.685 1.00 0.00 C ATOM 640 CZ2 TRP A 44 15.176 12.895 -5.092 1.00 0.00 C ATOM 641 CZ3 TRP A 44 15.021 12.019 -7.346 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.550 11.944 -6.050 1.00 0.00 C ATOM 0 H TRP A 44 10.246 16.045 -9.668 1.00 0.00 H new ATOM 0 HA TRP A 44 10.552 13.850 -7.855 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.377 15.313 -8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.783 16.638 -7.835 1.00 0.00 H new ATOM 0 HD1 TRP A 44 12.243 16.522 -5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.926 15.183 -3.764 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.716 13.086 -8.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.589 12.851 -4.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.317 11.293 -8.089 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.243 11.157 -5.791 1.00 0.00 H new ATOM 653 N LEU A 45 9.069 16.565 -6.728 1.00 0.00 N ATOM 654 CA LEU A 45 8.364 17.267 -5.651 1.00 0.00 C ATOM 655 C LEU A 45 7.428 16.383 -4.786 1.00 0.00 C ATOM 656 O LEU A 45 7.662 16.333 -3.574 1.00 0.00 O ATOM 657 CB LEU A 45 7.705 18.517 -6.285 1.00 0.00 C ATOM 658 CG LEU A 45 6.916 19.502 -5.400 1.00 0.00 C ATOM 659 CD1 LEU A 45 5.606 18.964 -4.825 1.00 0.00 C ATOM 660 CD2 LEU A 45 7.770 20.049 -4.257 1.00 0.00 C ATOM 0 H LEU A 45 9.062 17.101 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 45 9.077 17.581 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.494 19.085 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.028 18.167 -7.064 1.00 0.00 H new ATOM 0 HG LEU A 45 6.647 20.299 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.131 19.735 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.940 18.681 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.812 18.091 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.176 20.739 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.111 19.225 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.633 20.574 -4.667 1.00 0.00 H new ATOM 672 N PRO A 46 6.409 15.681 -5.331 1.00 0.00 N ATOM 673 CA PRO A 46 5.401 14.984 -4.519 1.00 0.00 C ATOM 674 C PRO A 46 5.890 13.678 -3.867 1.00 0.00 C ATOM 675 O PRO A 46 5.383 13.298 -2.809 1.00 0.00 O ATOM 676 CB PRO A 46 4.225 14.726 -5.469 1.00 0.00 C ATOM 677 CG PRO A 46 4.880 14.653 -6.848 1.00 0.00 C ATOM 678 CD PRO A 46 6.015 15.661 -6.734 1.00 0.00 C ATOM 0 HA PRO A 46 5.131 15.604 -3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.707 13.799 -5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.487 15.526 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.249 13.651 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.182 14.918 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.854 15.375 -7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.691 16.649 -7.060 1.00 0.00 H new ATOM 686 N TYR A 47 6.885 12.994 -4.446 1.00 0.00 N ATOM 687 CA TYR A 47 7.437 11.745 -3.897 1.00 0.00 C ATOM 688 C TYR A 47 8.329 11.939 -2.660 1.00 0.00 C ATOM 689 O TYR A 47 8.712 10.960 -2.022 1.00 0.00 O ATOM 690 CB TYR A 47 8.215 10.990 -4.977 1.00 0.00 C ATOM 691 CG TYR A 47 7.360 10.294 -6.009 1.00 0.00 C ATOM 692 CD1 TYR A 47 6.883 8.992 -5.756 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.080 10.928 -7.233 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.142 8.317 -6.744 1.00 0.00 C ATOM 695 CE2 TYR A 47 6.323 10.262 -8.214 1.00 0.00 C ATOM 696 CZ TYR A 47 5.857 8.951 -7.976 1.00 0.00 C ATOM 697 OH TYR A 47 5.134 8.305 -8.930 1.00 0.00 O ATOM 0 H TYR A 47 7.333 13.291 -5.313 1.00 0.00 H new ATOM 0 HA TYR A 47 6.576 11.164 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.874 11.692 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.851 10.248 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.085 8.515 -4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.446 11.927 -7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.790 7.312 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.098 10.754 -9.149 1.00 0.00 H new ATOM 0 HH TYR A 47 5.031 8.886 -9.712 1.00 0.00 H new ATOM 707 N GLN A 48 8.653 13.177 -2.270 1.00 0.00 N ATOM 708 CA GLN A 48 9.449 13.440 -1.062 1.00 0.00 C ATOM 709 C GLN A 48 8.753 12.953 0.228 1.00 0.00 C ATOM 710 O GLN A 48 9.417 12.497 1.156 1.00 0.00 O ATOM 711 CB GLN A 48 9.794 14.934 -0.978 1.00 0.00 C ATOM 712 CG GLN A 48 10.685 15.394 -2.146 1.00 0.00 C ATOM 713 CD GLN A 48 10.922 16.894 -2.094 1.00 0.00 C ATOM 714 OE1 GLN A 48 11.976 17.371 -1.703 1.00 0.00 O ATOM 715 NE2 GLN A 48 9.933 17.693 -2.423 1.00 0.00 N ATOM 0 H GLN A 48 8.375 14.018 -2.776 1.00 0.00 H new ATOM 0 HA GLN A 48 10.371 12.865 -1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.873 15.518 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.302 15.135 -0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.640 14.870 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.214 15.129 -3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.049 17.303 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.049 18.704 -2.351 1.00 0.00 H new ATOM 724 N ASP A 49 7.411 12.961 0.256 1.00 0.00 N ATOM 725 CA ASP A 49 6.577 12.368 1.318 1.00 0.00 C ATOM 726 C ASP A 49 6.527 10.817 1.289 1.00 0.00 C ATOM 727 O ASP A 49 5.824 10.190 2.088 1.00 0.00 O ATOM 728 CB ASP A 49 5.180 13.002 1.214 1.00 0.00 C ATOM 729 CG ASP A 49 4.271 12.686 2.416 1.00 0.00 C ATOM 730 OD1 ASP A 49 4.658 13.005 3.568 1.00 0.00 O ATOM 731 OD2 ASP A 49 3.140 12.180 2.207 1.00 0.00 O1- ATOM 0 H ASP A 49 6.857 13.394 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 49 7.027 12.590 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.286 14.083 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.698 12.651 0.302 1.00 0.00 H new ATOM 736 N LYS A 50 7.271 10.195 0.362 1.00 0.00 N ATOM 737 CA LYS A 50 7.229 8.769 0.001 1.00 0.00 C ATOM 738 C LYS A 50 8.662 8.213 -0.070 1.00 0.00 C ATOM 739 O LYS A 50 9.395 8.284 0.923 1.00 0.00 O ATOM 740 CB LYS A 50 6.403 8.596 -1.301 1.00 0.00 C ATOM 741 CG LYS A 50 5.023 9.271 -1.219 1.00 0.00 C ATOM 742 CD LYS A 50 4.226 9.129 -2.515 1.00 0.00 C ATOM 743 CE LYS A 50 2.958 9.979 -2.366 1.00 0.00 C ATOM 744 NZ LYS A 50 2.139 9.954 -3.606 1.00 0.00 N1+ ATOM 0 H LYS A 50 7.961 10.705 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 50 6.720 8.178 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.960 9.016 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.272 7.533 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.456 8.833 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.152 10.329 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.816 9.465 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.970 8.085 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.366 9.608 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.233 11.007 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.215 10.393 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.629 10.482 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.999 8.969 -3.910 1.00 0.00 H new ATOM 758 N TYR A 51 9.067 7.692 -1.226 1.00 0.00 N ATOM 759 CA TYR A 51 10.429 7.281 -1.563 1.00 0.00 C ATOM 760 C TYR A 51 10.708 7.603 -3.039 1.00 0.00 C ATOM 761 O TYR A 51 9.799 7.703 -3.864 1.00 0.00 O ATOM 762 CB TYR A 51 10.599 5.770 -1.349 1.00 0.00 C ATOM 763 CG TYR A 51 10.459 5.241 0.067 1.00 0.00 C ATOM 764 CD1 TYR A 51 11.601 5.115 0.880 1.00 0.00 C ATOM 765 CD2 TYR A 51 9.222 4.736 0.510 1.00 0.00 C ATOM 766 CE1 TYR A 51 11.514 4.480 2.136 1.00 0.00 C ATOM 767 CE2 TYR A 51 9.140 4.068 1.748 1.00 0.00 C ATOM 768 CZ TYR A 51 10.282 3.936 2.561 1.00 0.00 C ATOM 769 OH TYR A 51 10.190 3.255 3.735 1.00 0.00 O ATOM 0 H TYR A 51 8.417 7.536 -1.997 1.00 0.00 H new ATOM 0 HA TYR A 51 11.125 7.818 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.867 5.258 -1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.585 5.487 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.548 5.507 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.338 4.860 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.385 4.410 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.197 3.655 2.075 1.00 0.00 H new ATOM 0 HH TYR A 51 10.851 3.605 4.369 1.00 0.00 H new ATOM 779 N VAL A 52 11.991 7.716 -3.378 1.00 0.00 N ATOM 780 CA VAL A 52 12.490 8.054 -4.722 1.00 0.00 C ATOM 781 C VAL A 52 13.735 7.239 -5.056 1.00 0.00 C ATOM 782 O VAL A 52 14.363 6.675 -4.164 1.00 0.00 O ATOM 783 CB VAL A 52 12.809 9.558 -4.824 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.555 10.428 -4.738 1.00 0.00 C ATOM 785 CG2 VAL A 52 13.815 10.045 -3.779 1.00 0.00 C ATOM 0 H VAL A 52 12.743 7.571 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 52 11.707 7.811 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 52 13.262 9.667 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.835 11.479 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.878 10.172 -5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.056 10.254 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.990 11.112 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.418 9.865 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.754 9.505 -3.899 1.00 0.00 H new ATOM 795 N LEU A 53 14.119 7.157 -6.327 1.00 0.00 N ATOM 796 CA LEU A 53 15.351 6.481 -6.729 1.00 0.00 C ATOM 797 C LEU A 53 15.904 7.054 -8.040 1.00 0.00 C ATOM 798 O LEU A 53 15.168 7.436 -8.953 1.00 0.00 O ATOM 799 CB LEU A 53 15.119 4.952 -6.662 1.00 0.00 C ATOM 800 CG LEU A 53 15.556 4.057 -7.834 1.00 0.00 C ATOM 801 CD1 LEU A 53 17.055 3.746 -7.839 1.00 0.00 C ATOM 802 CD2 LEU A 53 14.834 2.710 -7.757 1.00 0.00 C ATOM 0 H LEU A 53 13.590 7.554 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 53 16.169 6.677 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.624 4.586 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.051 4.792 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 53 15.307 4.616 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.292 3.111 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.619 4.676 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.323 3.230 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.148 2.081 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.082 2.218 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.757 2.871 -7.810 1.00 0.00 H new ATOM 814 N VAL A 54 17.228 7.149 -8.094 1.00 0.00 N ATOM 815 CA VAL A 54 17.990 7.849 -9.130 1.00 0.00 C ATOM 816 C VAL A 54 18.685 6.830 -10.032 1.00 0.00 C ATOM 817 O VAL A 54 19.345 5.920 -9.533 1.00 0.00 O ATOM 818 CB VAL A 54 19.063 8.719 -8.452 1.00 0.00 C ATOM 819 CG1 VAL A 54 19.845 9.564 -9.467 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.480 9.658 -7.383 1.00 0.00 C ATOM 0 H VAL A 54 17.828 6.723 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 54 17.317 8.467 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 54 19.737 8.011 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.591 10.162 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.342 8.907 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.158 10.224 -9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.283 10.247 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.752 10.326 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.991 9.068 -6.608 1.00 0.00 H new ATOM 830 N VAL A 55 18.597 7.001 -11.350 1.00 0.00 N ATOM 831 CA VAL A 55 19.270 6.144 -12.337 1.00 0.00 C ATOM 832 C VAL A 55 19.920 7.076 -13.361 1.00 0.00 C ATOM 833 O VAL A 55 19.227 7.748 -14.122 1.00 0.00 O ATOM 834 CB VAL A 55 18.292 5.126 -12.957 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.079 4.022 -13.665 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.399 4.428 -11.915 1.00 0.00 C ATOM 0 H VAL A 55 18.048 7.749 -11.773 1.00 0.00 H new ATOM 0 HA VAL A 55 20.042 5.529 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 55 17.662 5.696 -13.639 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.385 3.304 -14.102 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.692 4.460 -14.453 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.721 3.514 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.735 3.725 -12.418 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.024 3.890 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.805 5.174 -11.387 1.00 0.00 H new ATOM 846 N THR A 56 21.249 7.232 -13.343 1.00 0.00 N ATOM 847 CA THR A 56 21.935 8.296 -14.121 1.00 0.00 C ATOM 848 C THR A 56 23.347 7.938 -14.599 1.00 0.00 C ATOM 849 O THR A 56 24.025 7.128 -13.978 1.00 0.00 O ATOM 850 CB THR A 56 21.966 9.554 -13.221 1.00 0.00 C ATOM 851 OG1 THR A 56 20.647 10.029 -13.069 1.00 0.00 O ATOM 852 CG2 THR A 56 22.786 10.756 -13.691 1.00 0.00 C ATOM 0 H THR A 56 21.879 6.640 -12.802 1.00 0.00 H new ATOM 0 HA THR A 56 21.377 8.455 -15.044 1.00 0.00 H new ATOM 0 HB THR A 56 22.452 9.194 -12.314 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.595 10.602 -12.276 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.710 11.558 -12.957 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.830 10.463 -13.802 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.403 11.105 -14.650 1.00 0.00 H new ATOM 860 N SER A 57 23.805 8.580 -15.680 1.00 0.00 N ATOM 861 CA SER A 57 25.104 8.333 -16.333 1.00 0.00 C ATOM 862 C SER A 57 26.073 9.527 -16.210 1.00 0.00 C ATOM 863 O SER A 57 25.770 10.515 -15.545 1.00 0.00 O ATOM 864 CB SER A 57 24.902 7.940 -17.804 1.00 0.00 C ATOM 865 OG SER A 57 23.840 7.009 -17.886 1.00 0.00 O ATOM 0 H SER A 57 23.266 9.312 -16.143 1.00 0.00 H new ATOM 0 HA SER A 57 25.570 7.501 -15.805 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.677 8.823 -18.403 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.817 7.506 -18.208 1.00 0.00 H new ATOM 0 HG SER A 57 23.701 6.753 -18.822 1.00 0.00 H new ATOM 871 N THR A 58 27.239 9.455 -16.870 1.00 0.00 N ATOM 872 CA THR A 58 28.266 10.520 -16.883 1.00 0.00 C ATOM 873 C THR A 58 28.686 10.850 -18.322 1.00 0.00 C ATOM 874 O THR A 58 28.837 9.953 -19.145 1.00 0.00 O ATOM 875 CB THR A 58 29.473 10.076 -16.040 1.00 0.00 C ATOM 876 OG1 THR A 58 29.036 9.723 -14.748 1.00 0.00 O ATOM 877 CG2 THR A 58 30.513 11.172 -15.832 1.00 0.00 C ATOM 0 H THR A 58 27.504 8.640 -17.423 1.00 0.00 H new ATOM 0 HA THR A 58 27.849 11.428 -16.448 1.00 0.00 H new ATOM 0 HB THR A 58 29.924 9.251 -16.591 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.616 8.838 -14.775 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.334 10.785 -15.229 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.896 11.499 -16.799 1.00 0.00 H new ATOM 0 HG23 THR A 58 30.053 12.017 -15.320 1.00 0.00 H new ATOM 885 N THR A 59 28.885 12.131 -18.633 1.00 0.00 N ATOM 886 CA THR A 59 29.187 12.686 -19.964 1.00 0.00 C ATOM 887 C THR A 59 30.119 13.896 -19.784 1.00 0.00 C ATOM 888 O THR A 59 30.689 14.069 -18.710 1.00 0.00 O ATOM 889 CB THR A 59 27.864 13.032 -20.681 1.00 0.00 C ATOM 890 OG1 THR A 59 28.085 13.413 -22.011 1.00 0.00 O ATOM 891 CG2 THR A 59 27.106 14.201 -20.069 1.00 0.00 C ATOM 0 H THR A 59 28.838 12.860 -17.921 1.00 0.00 H new ATOM 0 HA THR A 59 29.705 11.965 -20.596 1.00 0.00 H new ATOM 0 HB THR A 59 27.283 12.114 -20.588 1.00 0.00 H new ATOM 0 HG1 THR A 59 27.228 13.624 -22.438 1.00 0.00 H new ATOM 0 HG21 THR A 59 26.190 14.376 -20.633 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.856 13.970 -19.034 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.729 15.095 -20.101 1.00 0.00 H new ATOM 930 N ASP A 63 30.745 14.750 -15.970 1.00 0.00 N ATOM 931 CA ASP A 63 29.615 15.497 -15.399 1.00 0.00 C ATOM 932 C ASP A 63 28.240 14.918 -15.797 1.00 0.00 C ATOM 933 O ASP A 63 28.147 13.995 -16.608 1.00 0.00 O ATOM 934 CB ASP A 63 29.769 16.971 -15.823 1.00 0.00 C ATOM 935 CG ASP A 63 28.907 17.943 -14.996 1.00 0.00 C ATOM 936 OD1 ASP A 63 28.505 17.581 -13.864 1.00 0.00 O1- ATOM 937 OD2 ASP A 63 28.639 19.066 -15.484 1.00 0.00 O ATOM 0 HA ASP A 63 29.641 15.411 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.816 17.259 -15.732 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.503 17.067 -16.876 1.00 0.00 H new ATOM 942 N LEU A 64 27.166 15.439 -15.199 1.00 0.00 N ATOM 943 CA LEU A 64 25.772 15.074 -15.475 1.00 0.00 C ATOM 944 C LEU A 64 25.317 15.461 -16.904 1.00 0.00 C ATOM 945 O LEU A 64 25.722 16.513 -17.412 1.00 0.00 O ATOM 946 CB LEU A 64 24.872 15.783 -14.441 1.00 0.00 C ATOM 947 CG LEU A 64 24.924 15.157 -13.037 1.00 0.00 C ATOM 948 CD1 LEU A 64 24.219 16.063 -12.034 1.00 0.00 C ATOM 949 CD2 LEU A 64 24.201 13.811 -13.017 1.00 0.00 C ATOM 0 H LEU A 64 27.246 16.157 -14.479 1.00 0.00 H new ATOM 0 HA LEU A 64 25.689 13.990 -15.402 1.00 0.00 H new ATOM 0 HB2 LEU A 64 25.169 16.830 -14.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 23.842 15.766 -14.798 1.00 0.00 H new ATOM 0 HG LEU A 64 25.974 15.027 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.261 15.611 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.713 17.034 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.178 16.192 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.250 13.386 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 64 23.158 13.954 -13.300 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.678 13.131 -13.723 1.00 0.00 H new ATOM 961 N PRO A 65 24.433 14.661 -17.541 1.00 0.00 N ATOM 962 CA PRO A 65 23.817 14.993 -18.822 1.00 0.00 C ATOM 963 C PRO A 65 22.630 15.949 -18.647 1.00 0.00 C ATOM 964 O PRO A 65 21.954 15.968 -17.617 1.00 0.00 O ATOM 965 CB PRO A 65 23.361 13.648 -19.392 1.00 0.00 C ATOM 966 CG PRO A 65 22.972 12.860 -18.146 1.00 0.00 C ATOM 967 CD PRO A 65 23.918 13.386 -17.063 1.00 0.00 C ATOM 0 HA PRO A 65 24.512 15.510 -19.484 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.519 13.764 -20.075 1.00 0.00 H new ATOM 0 HB3 PRO A 65 24.158 13.155 -19.949 1.00 0.00 H new ATOM 0 HG2 PRO A 65 21.928 13.026 -17.879 1.00 0.00 H new ATOM 0 HG3 PRO A 65 23.096 11.788 -18.297 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.392 13.511 -16.117 1.00 0.00 H new ATOM 0 HD3 PRO A 65 24.731 12.683 -16.884 1.00 0.00 H new ATOM 975 N ASP A 66 22.319 16.707 -19.699 1.00 0.00 N ATOM 976 CA ASP A 66 21.287 17.750 -19.663 1.00 0.00 C ATOM 977 C ASP A 66 19.881 17.228 -19.306 1.00 0.00 C ATOM 978 O ASP A 66 19.075 17.967 -18.744 1.00 0.00 O ATOM 979 CB ASP A 66 21.284 18.486 -21.008 1.00 0.00 C ATOM 980 CG ASP A 66 20.374 19.724 -20.990 1.00 0.00 C ATOM 981 OD1 ASP A 66 20.705 20.708 -20.285 1.00 0.00 O ATOM 982 OD2 ASP A 66 19.345 19.733 -21.708 1.00 0.00 O1- ATOM 0 H ASP A 66 22.777 16.616 -20.606 1.00 0.00 H new ATOM 0 HA ASP A 66 21.541 18.436 -18.855 1.00 0.00 H new ATOM 0 HB2 ASP A 66 22.301 18.788 -21.257 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.953 17.805 -21.792 1.00 0.00 H new ATOM 987 N SER A 67 19.613 15.937 -19.543 1.00 0.00 N ATOM 988 CA SER A 67 18.381 15.232 -19.159 1.00 0.00 C ATOM 989 C SER A 67 18.045 15.272 -17.656 1.00 0.00 C ATOM 990 O SER A 67 16.900 14.996 -17.293 1.00 0.00 O ATOM 991 CB SER A 67 18.471 13.764 -19.600 1.00 0.00 C ATOM 992 OG SER A 67 18.838 13.659 -20.966 1.00 0.00 O ATOM 0 H SER A 67 20.275 15.330 -20.027 1.00 0.00 H new ATOM 0 HA SER A 67 17.577 15.766 -19.665 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.202 13.241 -18.983 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.510 13.274 -19.440 1.00 0.00 H new ATOM 0 HG SER A 67 19.527 12.970 -21.067 1.00 0.00 H new ATOM 998 N ILE A 68 19.004 15.609 -16.775 1.00 0.00 N ATOM 999 CA ILE A 68 18.790 15.710 -15.314 1.00 0.00 C ATOM 1000 C ILE A 68 19.364 16.989 -14.675 1.00 0.00 C ATOM 1001 O ILE A 68 19.092 17.274 -13.511 1.00 0.00 O ATOM 1002 CB ILE A 68 19.251 14.402 -14.629 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.601 14.209 -13.243 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.782 14.304 -14.580 1.00 0.00 C ATOM 1005 CD1 ILE A 68 18.807 12.817 -12.631 1.00 0.00 C ATOM 0 H ILE A 68 19.961 15.822 -17.057 1.00 0.00 H new ATOM 0 HA ILE A 68 17.719 15.820 -15.144 1.00 0.00 H new ATOM 0 HB ILE A 68 18.900 13.573 -15.244 1.00 0.00 H new ATOM 0 HG12 ILE A 68 19.005 14.956 -12.559 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.531 14.400 -13.328 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.072 13.373 -14.092 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.180 14.321 -15.594 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.183 15.148 -14.018 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.317 12.771 -11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.377 12.063 -13.290 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.873 12.627 -12.509 1.00 0.00 H new ATOM 1017 N VAL A 69 20.076 17.832 -15.433 1.00 0.00 N ATOM 1018 CA VAL A 69 20.482 19.186 -14.997 1.00 0.00 C ATOM 1019 C VAL A 69 19.320 20.012 -14.401 1.00 0.00 C ATOM 1020 O VAL A 69 19.532 20.580 -13.327 1.00 0.00 O ATOM 1021 CB VAL A 69 21.211 19.936 -16.133 1.00 0.00 C ATOM 1022 CG1 VAL A 69 21.484 21.412 -15.817 1.00 0.00 C ATOM 1023 CG2 VAL A 69 22.577 19.286 -16.396 1.00 0.00 C ATOM 0 H VAL A 69 20.392 17.598 -16.374 1.00 0.00 H new ATOM 0 HA VAL A 69 21.187 19.052 -14.177 1.00 0.00 H new ATOM 0 HB VAL A 69 20.545 19.877 -16.994 1.00 0.00 H new ATOM 0 HG11 VAL A 69 21.998 21.875 -16.659 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.540 21.927 -15.641 1.00 0.00 H new ATOM 0 HG13 VAL A 69 22.108 21.484 -14.926 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.086 19.820 -17.199 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.182 19.331 -15.490 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.435 18.245 -16.686 1.00 0.00 H new ATOM 1033 N PRO A 70 18.086 20.040 -14.961 1.00 0.00 N ATOM 1034 CA PRO A 70 16.966 20.779 -14.350 1.00 0.00 C ATOM 1035 C PRO A 70 16.465 20.207 -13.006 1.00 0.00 C ATOM 1036 O PRO A 70 15.745 20.896 -12.283 1.00 0.00 O ATOM 1037 CB PRO A 70 15.851 20.794 -15.408 1.00 0.00 C ATOM 1038 CG PRO A 70 16.132 19.555 -16.254 1.00 0.00 C ATOM 1039 CD PRO A 70 17.657 19.501 -16.254 1.00 0.00 C ATOM 0 HA PRO A 70 17.303 21.780 -14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.864 20.749 -14.949 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.882 21.703 -16.008 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.693 18.657 -15.819 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.728 19.651 -17.262 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.010 18.478 -16.386 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.067 20.088 -17.076 1.00 0.00 H new ATOM 1047 N LEU A 71 16.853 18.978 -12.641 1.00 0.00 N ATOM 1048 CA LEU A 71 16.560 18.376 -11.330 1.00 0.00 C ATOM 1049 C LEU A 71 17.691 18.721 -10.359 1.00 0.00 C ATOM 1050 O LEU A 71 17.451 19.249 -9.275 1.00 0.00 O ATOM 1051 CB LEU A 71 16.410 16.841 -11.483 1.00 0.00 C ATOM 1052 CG LEU A 71 15.003 16.336 -11.844 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.031 16.469 -10.676 1.00 0.00 C ATOM 1054 CD2 LEU A 71 14.407 17.058 -13.045 1.00 0.00 C ATOM 0 H LEU A 71 17.387 18.364 -13.256 1.00 0.00 H new ATOM 0 HA LEU A 71 15.624 18.772 -10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 71 17.105 16.502 -12.252 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.715 16.371 -10.548 1.00 0.00 H new ATOM 0 HG LEU A 71 15.137 15.284 -12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.050 16.101 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.396 15.885 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.952 17.517 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.414 16.660 -13.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.333 18.124 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.047 16.908 -13.914 1.00 0.00 H new ATOM 1066 N PHE A 72 18.931 18.507 -10.798 1.00 0.00 N ATOM 1067 CA PHE A 72 20.153 18.767 -10.046 1.00 0.00 C ATOM 1068 C PHE A 72 20.320 20.242 -9.630 1.00 0.00 C ATOM 1069 O PHE A 72 20.575 20.536 -8.464 1.00 0.00 O ATOM 1070 CB PHE A 72 21.300 18.258 -10.925 1.00 0.00 C ATOM 1071 CG PHE A 72 22.681 18.569 -10.403 1.00 0.00 C ATOM 1072 CD1 PHE A 72 23.130 17.992 -9.202 1.00 0.00 C ATOM 1073 CD2 PHE A 72 23.521 19.432 -11.132 1.00 0.00 C ATOM 1074 CE1 PHE A 72 24.422 18.281 -8.724 1.00 0.00 C ATOM 1075 CE2 PHE A 72 24.815 19.714 -10.659 1.00 0.00 C ATOM 1076 CZ PHE A 72 25.264 19.141 -9.454 1.00 0.00 C ATOM 0 H PHE A 72 19.117 18.131 -11.728 1.00 0.00 H new ATOM 0 HA PHE A 72 20.131 18.246 -9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 72 21.203 17.178 -11.036 1.00 0.00 H new ATOM 0 HB3 PHE A 72 21.197 18.691 -11.920 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.484 17.328 -8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 72 23.172 19.877 -12.052 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.767 17.844 -7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 72 25.464 20.370 -11.220 1.00 0.00 H new ATOM 0 HZ PHE A 72 26.256 19.362 -9.089 1.00 0.00 H new ATOM 1086 N GLN A 73 20.108 21.190 -10.550 1.00 0.00 N ATOM 1087 CA GLN A 73 20.122 22.631 -10.244 1.00 0.00 C ATOM 1088 C GLN A 73 18.861 23.102 -9.493 1.00 0.00 C ATOM 1089 O GLN A 73 18.909 24.108 -8.785 1.00 0.00 O ATOM 1090 CB GLN A 73 20.281 23.438 -11.545 1.00 0.00 C ATOM 1091 CG GLN A 73 21.606 23.178 -12.283 1.00 0.00 C ATOM 1092 CD GLN A 73 22.822 23.661 -11.497 1.00 0.00 C ATOM 1093 OE1 GLN A 73 23.187 24.830 -11.519 1.00 0.00 O ATOM 1094 NE2 GLN A 73 23.494 22.795 -10.763 1.00 0.00 N ATOM 0 H GLN A 73 19.921 20.982 -11.531 1.00 0.00 H new ATOM 0 HA GLN A 73 20.970 22.805 -9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 73 19.452 23.200 -12.212 1.00 0.00 H new ATOM 0 HB3 GLN A 73 20.208 24.501 -11.313 1.00 0.00 H new ATOM 0 HG2 GLN A 73 21.705 22.110 -12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 73 21.582 23.678 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 73 23.203 21.818 -10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 73 24.304 23.103 -10.225 1.00 0.00 H new ATOM 1103 N GLY A 74 17.741 22.382 -9.628 1.00 0.00 N ATOM 1104 CA GLY A 74 16.441 22.773 -9.083 1.00 0.00 C ATOM 1105 C GLY A 74 16.282 22.418 -7.608 1.00 0.00 C ATOM 1106 O GLY A 74 15.981 23.298 -6.806 1.00 0.00 O ATOM 0 H GLY A 74 17.715 21.494 -10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.309 23.848 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.652 22.286 -9.655 1.00 0.00 H new ATOM 1110 N ILE A 75 16.530 21.163 -7.222 1.00 0.00 N ATOM 1111 CA ILE A 75 16.341 20.658 -5.846 1.00 0.00 C ATOM 1112 C ILE A 75 17.276 21.369 -4.850 1.00 0.00 C ATOM 1113 O ILE A 75 16.866 21.701 -3.733 1.00 0.00 O ATOM 1114 CB ILE A 75 16.541 19.119 -5.869 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.397 18.436 -6.656 1.00 0.00 C ATOM 1116 CG2 ILE A 75 16.640 18.506 -4.462 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.740 17.011 -7.115 1.00 0.00 C ATOM 0 H ILE A 75 16.875 20.450 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 75 15.332 20.878 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 75 17.493 18.939 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.505 18.404 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 75 15.153 19.042 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 75 16.779 17.428 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.488 18.942 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 75 15.723 18.713 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 75 14.895 16.591 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.614 17.039 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 75 15.955 16.390 -6.245 1.00 0.00 H new ATOM 1129 N LYS A 76 18.518 21.647 -5.274 1.00 0.00 N ATOM 1130 CA LYS A 76 19.572 22.273 -4.454 1.00 0.00 C ATOM 1131 C LYS A 76 19.213 23.686 -3.981 1.00 0.00 C ATOM 1132 O LYS A 76 19.573 24.070 -2.870 1.00 0.00 O ATOM 1133 CB LYS A 76 20.883 22.288 -5.261 1.00 0.00 C ATOM 1134 CG LYS A 76 22.117 22.556 -4.380 1.00 0.00 C ATOM 1135 CD LYS A 76 23.441 22.309 -5.125 1.00 0.00 C ATOM 1136 CE LYS A 76 23.686 23.225 -6.337 1.00 0.00 C ATOM 1137 NZ LYS A 76 23.969 24.637 -5.938 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.828 21.438 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 76 19.686 21.678 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.004 21.331 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.820 23.053 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.090 23.587 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.075 21.916 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.265 22.434 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.463 21.273 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 24.525 22.839 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.812 23.203 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 24.127 25.213 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.159 25.017 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.819 24.665 -5.339 1.00 0.00 H new ATOM 1151 N ASP A 77 18.505 24.449 -4.819 1.00 0.00 N ATOM 1152 CA ASP A 77 18.244 25.884 -4.603 1.00 0.00 C ATOM 1153 C ASP A 77 16.754 26.224 -4.399 1.00 0.00 C ATOM 1154 O ASP A 77 16.433 27.123 -3.618 1.00 0.00 O ATOM 1155 CB ASP A 77 18.824 26.658 -5.793 1.00 0.00 C ATOM 1156 CG ASP A 77 18.716 28.181 -5.600 1.00 0.00 C ATOM 1157 OD1 ASP A 77 19.482 28.740 -4.776 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 17.888 28.824 -6.287 1.00 0.00 O ATOM 0 H ASP A 77 18.090 24.088 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 77 18.729 26.176 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.870 26.383 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.298 26.370 -6.703 1.00 0.00 H new ATOM 1163 N SER A 78 15.836 25.486 -5.039 1.00 0.00 N ATOM 1164 CA SER A 78 14.380 25.722 -4.913 1.00 0.00 C ATOM 1165 C SER A 78 13.771 25.087 -3.655 1.00 0.00 C ATOM 1166 O SER A 78 12.685 25.489 -3.237 1.00 0.00 O ATOM 1167 CB SER A 78 13.605 25.186 -6.127 1.00 0.00 C ATOM 1168 OG SER A 78 14.219 25.549 -7.353 1.00 0.00 O ATOM 0 H SER A 78 16.074 24.711 -5.657 1.00 0.00 H new ATOM 0 HA SER A 78 14.283 26.806 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.538 24.100 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.585 25.571 -6.105 1.00 0.00 H new ATOM 0 HG SER A 78 14.973 24.949 -7.531 1.00 0.00 H new ATOM 1174 N LEU A 79 14.459 24.107 -3.048 1.00 0.00 N ATOM 1175 CA LEU A 79 13.999 23.374 -1.856 1.00 0.00 C ATOM 1176 C LEU A 79 15.052 23.376 -0.734 1.00 0.00 C ATOM 1177 O LEU A 79 14.728 23.702 0.406 1.00 0.00 O ATOM 1178 CB LEU A 79 13.617 21.930 -2.253 1.00 0.00 C ATOM 1179 CG LEU A 79 12.433 21.802 -3.233 1.00 0.00 C ATOM 1180 CD1 LEU A 79 12.295 20.339 -3.652 1.00 0.00 C ATOM 1181 CD2 LEU A 79 11.106 22.240 -2.609 1.00 0.00 C ATOM 0 H LEU A 79 15.372 23.795 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 79 13.121 23.884 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.489 21.452 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.378 21.374 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 79 12.643 22.452 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.460 20.236 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.214 20.012 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.112 19.724 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.306 22.130 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.890 21.619 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.175 23.283 -2.301 1.00 0.00 H new ATOM 1193 N GLY A 80 16.311 23.044 -1.049 1.00 0.00 N ATOM 1194 CA GLY A 80 17.487 23.179 -0.172 1.00 0.00 C ATOM 1195 C GLY A 80 17.566 22.274 1.076 1.00 0.00 C ATOM 1196 O GLY A 80 18.665 22.043 1.580 1.00 0.00 O ATOM 0 H GLY A 80 16.551 22.657 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.376 22.995 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.537 24.215 0.163 1.00 0.00 H new ATOM 1200 N PHE A 81 16.442 21.757 1.588 1.00 0.00 N ATOM 1201 CA PHE A 81 16.363 20.987 2.838 1.00 0.00 C ATOM 1202 C PHE A 81 15.166 20.017 2.835 1.00 0.00 C ATOM 1203 O PHE A 81 14.044 20.411 2.506 1.00 0.00 O ATOM 1204 CB PHE A 81 16.253 21.982 4.006 1.00 0.00 C ATOM 1205 CG PHE A 81 16.301 21.354 5.387 1.00 0.00 C ATOM 1206 CD1 PHE A 81 17.508 20.804 5.864 1.00 0.00 C ATOM 1207 CD2 PHE A 81 15.159 21.351 6.211 1.00 0.00 C ATOM 1208 CE1 PHE A 81 17.572 20.263 7.161 1.00 0.00 C ATOM 1209 CE2 PHE A 81 15.227 20.817 7.511 1.00 0.00 C ATOM 1210 CZ PHE A 81 16.434 20.274 7.986 1.00 0.00 C ATOM 0 H PHE A 81 15.536 21.865 1.132 1.00 0.00 H new ATOM 0 HA PHE A 81 17.260 20.376 2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 81 17.063 22.707 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.319 22.535 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.385 20.798 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.229 21.759 5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.497 19.839 7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 81 14.352 20.824 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 81 16.487 19.866 8.984 1.00 0.00 H new ATOM 1220 N GLN A 82 15.402 18.742 3.177 1.00 0.00 N ATOM 1221 CA GLN A 82 14.396 17.666 3.163 1.00 0.00 C ATOM 1222 C GLN A 82 14.832 16.420 3.983 1.00 0.00 C ATOM 1223 O GLN A 82 15.070 15.354 3.413 1.00 0.00 O ATOM 1224 CB GLN A 82 14.049 17.305 1.696 1.00 0.00 C ATOM 1225 CG GLN A 82 12.674 16.630 1.585 1.00 0.00 C ATOM 1226 CD GLN A 82 11.524 17.609 1.835 1.00 0.00 C ATOM 1227 OE1 GLN A 82 10.989 17.733 2.929 1.00 0.00 O ATOM 1228 NE2 GLN A 82 11.101 18.348 0.833 1.00 0.00 N ATOM 0 H GLN A 82 16.322 18.421 3.479 1.00 0.00 H new ATOM 0 HA GLN A 82 13.499 18.035 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.061 18.209 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.814 16.640 1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.566 16.192 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.614 15.812 2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.535 18.258 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.339 19.011 0.974 1.00 0.00 H new ATOM 1237 N PRO A 83 14.956 16.502 5.322 1.00 0.00 N ATOM 1238 CA PRO A 83 15.442 15.386 6.151 1.00 0.00 C ATOM 1239 C PRO A 83 14.533 14.141 6.150 1.00 0.00 C ATOM 1240 O PRO A 83 15.011 13.031 6.389 1.00 0.00 O ATOM 1241 CB PRO A 83 15.612 15.973 7.559 1.00 0.00 C ATOM 1242 CG PRO A 83 14.617 17.133 7.583 1.00 0.00 C ATOM 1243 CD PRO A 83 14.672 17.664 6.151 1.00 0.00 C ATOM 0 HA PRO A 83 16.377 15.002 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.389 15.236 8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.632 16.316 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.615 16.799 7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.904 17.895 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.728 18.129 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.446 18.424 6.042 1.00 0.00 H new ATOM 1251 N ASN A 84 13.238 14.299 5.842 1.00 0.00 N ATOM 1252 CA ASN A 84 12.270 13.201 5.682 1.00 0.00 C ATOM 1253 C ASN A 84 12.444 12.359 4.395 1.00 0.00 C ATOM 1254 O ASN A 84 11.736 11.366 4.220 1.00 0.00 O ATOM 1255 CB ASN A 84 10.843 13.786 5.790 1.00 0.00 C ATOM 1256 CG ASN A 84 10.493 14.776 4.683 1.00 0.00 C ATOM 1257 OD1 ASN A 84 10.676 14.531 3.501 1.00 0.00 O ATOM 1258 ND2 ASN A 84 10.019 15.951 5.022 1.00 0.00 N ATOM 0 H ASN A 84 12.822 15.218 5.693 1.00 0.00 H new ATOM 0 HA ASN A 84 12.458 12.488 6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.123 12.967 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.737 14.283 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.809 16.643 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.860 16.173 6.005 1.00 0.00 H new ATOM 1265 N LEU A 85 13.353 12.736 3.488 1.00 0.00 N ATOM 1266 CA LEU A 85 13.561 12.064 2.200 1.00 0.00 C ATOM 1267 C LEU A 85 14.338 10.744 2.363 1.00 0.00 C ATOM 1268 O LEU A 85 15.385 10.719 3.008 1.00 0.00 O ATOM 1269 CB LEU A 85 14.299 13.057 1.277 1.00 0.00 C ATOM 1270 CG LEU A 85 14.433 12.650 -0.198 1.00 0.00 C ATOM 1271 CD1 LEU A 85 13.067 12.377 -0.827 1.00 0.00 C ATOM 1272 CD2 LEU A 85 15.065 13.803 -0.981 1.00 0.00 C ATOM 0 H LEU A 85 13.976 13.531 3.631 1.00 0.00 H new ATOM 0 HA LEU A 85 12.603 11.786 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.780 14.014 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.299 13.218 1.679 1.00 0.00 H new ATOM 0 HG LEU A 85 15.043 11.748 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.198 12.092 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.574 11.568 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.454 13.277 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.163 13.520 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 85 14.432 14.687 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 85 16.051 14.024 -0.571 1.00 0.00 H new ATOM 1284 N ARG A 86 13.875 9.664 1.720 1.00 0.00 N ATOM 1285 CA ARG A 86 14.560 8.363 1.619 1.00 0.00 C ATOM 1286 C ARG A 86 14.618 7.899 0.171 1.00 0.00 C ATOM 1287 O ARG A 86 13.686 8.135 -0.597 1.00 0.00 O ATOM 1288 CB ARG A 86 13.851 7.268 2.428 1.00 0.00 C ATOM 1289 CG ARG A 86 13.925 7.384 3.953 1.00 0.00 C ATOM 1290 CD ARG A 86 12.912 8.353 4.583 1.00 0.00 C ATOM 1291 NE ARG A 86 11.554 8.197 4.011 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.623 7.317 4.331 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.733 6.524 5.360 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.555 7.219 3.595 1.00 0.00 N ATOM 0 H ARG A 86 12.977 9.670 1.236 1.00 0.00 H new ATOM 0 HA ARG A 86 15.562 8.516 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.800 7.257 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.272 6.305 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.775 6.395 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.930 7.703 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.872 8.184 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.251 9.378 4.433 1.00 0.00 H new ATOM 0 HE ARG A 86 11.306 8.856 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.562 6.570 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.990 5.858 5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.442 7.819 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.831 6.542 3.835 1.00 0.00 H new ATOM 1308 N TYR A 87 15.713 7.231 -0.186 1.00 0.00 N ATOM 1309 CA TYR A 87 16.010 6.921 -1.585 1.00 0.00 C ATOM 1310 C TYR A 87 17.047 5.813 -1.820 1.00 0.00 C ATOM 1311 O TYR A 87 17.467 5.125 -0.890 1.00 0.00 O ATOM 1312 CB TYR A 87 16.427 8.239 -2.273 1.00 0.00 C ATOM 1313 CG TYR A 87 17.812 8.719 -1.916 1.00 0.00 C ATOM 1314 CD1 TYR A 87 18.070 9.300 -0.658 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.848 8.551 -2.846 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.378 9.694 -0.317 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.144 8.978 -2.513 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.418 9.533 -1.251 1.00 0.00 C ATOM 1319 OH TYR A 87 21.687 9.878 -0.927 1.00 0.00 O ATOM 0 H TYR A 87 16.412 6.893 0.476 1.00 0.00 H new ATOM 0 HA TYR A 87 15.104 6.501 -2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.370 8.104 -3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.708 9.015 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.263 9.443 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.652 8.099 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.582 10.117 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.940 8.879 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 87 22.301 9.556 -1.620 1.00 0.00 H new ATOM 1329 N GLY A 88 17.467 5.647 -3.075 1.00 0.00 N ATOM 1330 CA GLY A 88 18.575 4.800 -3.527 1.00 0.00 C ATOM 1331 C GLY A 88 19.093 5.267 -4.895 1.00 0.00 C ATOM 1332 O GLY A 88 18.443 6.080 -5.558 1.00 0.00 O ATOM 0 H GLY A 88 17.016 6.130 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.384 4.830 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.244 3.764 -3.593 1.00 0.00 H new ATOM 1336 N VAL A 89 20.280 4.809 -5.310 1.00 0.00 N ATOM 1337 CA VAL A 89 20.972 5.340 -6.503 1.00 0.00 C ATOM 1338 C VAL A 89 21.677 4.252 -7.290 1.00 0.00 C ATOM 1339 O VAL A 89 22.416 3.431 -6.746 1.00 0.00 O ATOM 1340 CB VAL A 89 22.036 6.406 -6.152 1.00 0.00 C ATOM 1341 CG1 VAL A 89 22.663 7.065 -7.392 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.441 7.519 -5.305 1.00 0.00 C ATOM 0 H VAL A 89 20.790 4.064 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 89 20.178 5.789 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 89 22.808 5.864 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.401 7.803 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.148 6.304 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 89 21.885 7.556 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.213 8.253 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.633 8.002 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.049 7.101 -4.378 1.00 0.00 H new ATOM 1352 N ILE A 90 21.528 4.343 -8.605 1.00 0.00 N ATOM 1353 CA ILE A 90 22.272 3.571 -9.588 1.00 0.00 C ATOM 1354 C ILE A 90 22.961 4.576 -10.517 1.00 0.00 C ATOM 1355 O ILE A 90 22.306 5.352 -11.215 1.00 0.00 O ATOM 1356 CB ILE A 90 21.329 2.619 -10.338 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.720 1.558 -9.392 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.134 1.968 -11.473 1.00 0.00 C ATOM 1359 CD1 ILE A 90 19.539 0.809 -10.013 1.00 0.00 C ATOM 0 H ILE A 90 20.858 4.983 -9.032 1.00 0.00 H new ATOM 0 HA ILE A 90 23.027 2.938 -9.120 1.00 0.00 H new ATOM 0 HB ILE A 90 20.485 3.174 -10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.492 0.841 -9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.392 2.044 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.492 1.283 -12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.506 2.741 -12.145 1.00 0.00 H new ATOM 0 HG23 ILE A 90 22.975 1.417 -11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.156 0.079 -9.300 1.00 0.00 H new ATOM 0 HD12 ILE A 90 18.751 1.518 -10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 90 19.868 0.296 -10.917 1.00 0.00 H new ATOM 1371 N ALA A 91 24.289 4.569 -10.517 1.00 0.00 N ATOM 1372 CA ALA A 91 25.115 5.427 -11.355 1.00 0.00 C ATOM 1373 C ALA A 91 25.862 4.594 -12.411 1.00 0.00 C ATOM 1374 O ALA A 91 26.190 3.425 -12.192 1.00 0.00 O ATOM 1375 CB ALA A 91 26.058 6.241 -10.459 1.00 0.00 C ATOM 0 H ALA A 91 24.834 3.949 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 91 24.492 6.129 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.681 6.887 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.471 6.852 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.693 5.563 -9.888 1.00 0.00 H new ATOM 1381 N LEU A 92 26.117 5.203 -13.569 1.00 0.00 N ATOM 1382 CA LEU A 92 26.632 4.528 -14.757 1.00 0.00 C ATOM 1383 C LEU A 92 27.707 5.362 -15.460 1.00 0.00 C ATOM 1384 O LEU A 92 27.681 6.595 -15.455 1.00 0.00 O ATOM 1385 CB LEU A 92 25.416 4.194 -15.660 1.00 0.00 C ATOM 1386 CG LEU A 92 25.728 3.368 -16.924 1.00 0.00 C ATOM 1387 CD1 LEU A 92 24.574 2.439 -17.294 1.00 0.00 C ATOM 1388 CD2 LEU A 92 25.933 4.253 -18.152 1.00 0.00 C ATOM 0 H LEU A 92 25.967 6.202 -13.709 1.00 0.00 H new ATOM 0 HA LEU A 92 27.141 3.602 -14.491 1.00 0.00 H new ATOM 0 HB2 LEU A 92 24.683 3.650 -15.064 1.00 0.00 H new ATOM 0 HB3 LEU A 92 24.947 5.129 -15.966 1.00 0.00 H new ATOM 0 HG LEU A 92 26.632 2.812 -16.676 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.834 1.875 -18.190 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.385 1.748 -16.472 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.678 3.030 -17.484 1.00 0.00 H new ATOM 0 HD21 LEU A 92 26.150 3.628 -19.018 1.00 0.00 H new ATOM 0 HD22 LEU A 92 25.028 4.831 -18.339 1.00 0.00 H new ATOM 0 HD23 LEU A 92 26.767 4.932 -17.976 1.00 0.00 H new ATOM 1400 N GLY A 93 28.637 4.669 -16.104 1.00 0.00 N ATOM 1401 CA GLY A 93 29.603 5.281 -17.000 1.00 0.00 C ATOM 1402 C GLY A 93 30.689 4.296 -17.434 1.00 0.00 C ATOM 1403 O GLY A 93 30.421 3.113 -17.642 1.00 0.00 O ATOM 0 H GLY A 93 28.741 3.658 -16.017 1.00 0.00 H new ATOM 0 HA2 GLY A 93 29.088 5.664 -17.881 1.00 0.00 H new ATOM 0 HA3 GLY A 93 30.065 6.135 -16.505 1.00 0.00 H new ATOM 1407 N ASP A 94 31.920 4.782 -17.577 1.00 0.00 N ATOM 1408 CA ASP A 94 33.098 4.000 -17.969 1.00 0.00 C ATOM 1409 C ASP A 94 34.338 4.467 -17.176 1.00 0.00 C ATOM 1410 O ASP A 94 34.663 5.659 -17.149 1.00 0.00 O ATOM 1411 CB ASP A 94 33.297 4.157 -19.483 1.00 0.00 C ATOM 1412 CG ASP A 94 34.362 3.207 -20.043 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.498 3.220 -19.521 1.00 0.00 O1- ATOM 1414 OD2 ASP A 94 34.068 2.468 -21.012 1.00 0.00 O ATOM 0 H ASP A 94 32.136 5.766 -17.418 1.00 0.00 H new ATOM 0 HA ASP A 94 32.952 2.945 -17.738 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.350 3.974 -19.990 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.582 5.186 -19.703 1.00 0.00 H new ATOM 1419 N SER A 95 35.025 3.536 -16.506 1.00 0.00 N ATOM 1420 CA SER A 95 36.187 3.824 -15.643 1.00 0.00 C ATOM 1421 C SER A 95 37.429 4.359 -16.384 1.00 0.00 C ATOM 1422 O SER A 95 38.338 4.915 -15.762 1.00 0.00 O ATOM 1423 CB SER A 95 36.511 2.567 -14.828 1.00 0.00 C ATOM 1424 OG SER A 95 37.446 2.820 -13.795 1.00 0.00 O ATOM 0 H SER A 95 34.790 2.544 -16.545 1.00 0.00 H new ATOM 0 HA SER A 95 35.905 4.647 -14.986 1.00 0.00 H new ATOM 0 HB2 SER A 95 35.592 2.172 -14.394 1.00 0.00 H new ATOM 0 HB3 SER A 95 36.906 1.798 -15.492 1.00 0.00 H new ATOM 0 HG SER A 95 37.974 3.615 -14.019 1.00 0.00 H new ATOM 1430 N SER A 96 37.458 4.271 -17.719 1.00 0.00 N ATOM 1431 CA SER A 96 38.602 4.666 -18.574 1.00 0.00 C ATOM 1432 C SER A 96 38.896 6.181 -18.634 1.00 0.00 C ATOM 1433 O SER A 96 39.834 6.593 -19.321 1.00 0.00 O ATOM 1434 CB SER A 96 38.411 4.161 -20.015 1.00 0.00 C ATOM 1435 OG SER A 96 37.970 2.816 -20.052 1.00 0.00 O ATOM 0 H SER A 96 36.668 3.914 -18.257 1.00 0.00 H new ATOM 0 HA SER A 96 39.459 4.197 -18.090 1.00 0.00 H new ATOM 0 HB2 SER A 96 37.687 4.794 -20.528 1.00 0.00 H new ATOM 0 HB3 SER A 96 39.352 4.249 -20.558 1.00 0.00 H new ATOM 0 HG SER A 96 36.992 2.794 -20.118 1.00 0.00 H new ATOM 1441 N TYR A 97 38.118 7.013 -17.928 1.00 0.00 N ATOM 1442 CA TYR A 97 38.117 8.481 -18.038 1.00 0.00 C ATOM 1443 C TYR A 97 38.345 9.225 -16.699 1.00 0.00 C ATOM 1444 O TYR A 97 38.138 10.435 -16.618 1.00 0.00 O ATOM 1445 CB TYR A 97 36.784 8.880 -18.690 1.00 0.00 C ATOM 1446 CG TYR A 97 36.550 8.337 -20.089 1.00 0.00 C ATOM 1447 CD1 TYR A 97 37.020 9.050 -21.208 1.00 0.00 C ATOM 1448 CD2 TYR A 97 35.836 7.136 -20.272 1.00 0.00 C ATOM 1449 CE1 TYR A 97 36.776 8.568 -22.509 1.00 0.00 C ATOM 1450 CE2 TYR A 97 35.591 6.649 -21.570 1.00 0.00 C ATOM 1451 CZ TYR A 97 36.059 7.366 -22.692 1.00 0.00 C ATOM 1452 OH TYR A 97 35.819 6.890 -23.944 1.00 0.00 O ATOM 0 H TYR A 97 37.447 6.671 -17.239 1.00 0.00 H new ATOM 0 HA TYR A 97 38.968 8.785 -18.647 1.00 0.00 H new ATOM 0 HB2 TYR A 97 35.970 8.543 -18.048 1.00 0.00 H new ATOM 0 HB3 TYR A 97 36.730 9.968 -18.728 1.00 0.00 H new ATOM 0 HD1 TYR A 97 37.569 9.969 -21.069 1.00 0.00 H new ATOM 0 HD2 TYR A 97 35.476 6.588 -19.414 1.00 0.00 H new ATOM 0 HE1 TYR A 97 37.137 9.118 -23.366 1.00 0.00 H new ATOM 0 HE2 TYR A 97 35.045 5.727 -21.707 1.00 0.00 H new ATOM 0 HH TYR A 97 35.314 6.052 -23.884 1.00 0.00 H new ATOM 1462 N VAL A 98 38.774 8.514 -15.644 1.00 0.00 N ATOM 1463 CA VAL A 98 39.171 9.019 -14.302 1.00 0.00 C ATOM 1464 C VAL A 98 38.015 9.549 -13.432 1.00 0.00 C ATOM 1465 O VAL A 98 37.922 9.160 -12.268 1.00 0.00 O ATOM 1466 CB VAL A 98 40.340 10.035 -14.379 1.00 0.00 C ATOM 1467 CG1 VAL A 98 40.877 10.400 -12.988 1.00 0.00 C ATOM 1468 CG2 VAL A 98 41.523 9.482 -15.186 1.00 0.00 C ATOM 0 H VAL A 98 38.862 7.499 -15.701 1.00 0.00 H new ATOM 0 HA VAL A 98 39.526 8.130 -13.780 1.00 0.00 H new ATOM 0 HB VAL A 98 39.924 10.917 -14.867 1.00 0.00 H new ATOM 0 HG11 VAL A 98 41.694 11.114 -13.089 1.00 0.00 H new ATOM 0 HG12 VAL A 98 40.078 10.845 -12.395 1.00 0.00 H new ATOM 0 HG13 VAL A 98 41.240 9.501 -12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 98 42.321 10.224 -15.216 1.00 0.00 H new ATOM 0 HG22 VAL A 98 41.892 8.571 -14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 98 41.197 9.258 -16.202 1.00 0.00 H new ATOM 1478 N ASN A 99 37.084 10.349 -13.969 1.00 0.00 N ATOM 1479 CA ASN A 99 35.852 10.786 -13.280 1.00 0.00 C ATOM 1480 C ASN A 99 34.796 9.665 -13.232 1.00 0.00 C ATOM 1481 O ASN A 99 33.646 9.865 -13.631 1.00 0.00 O ATOM 1482 CB ASN A 99 35.302 12.074 -13.934 1.00 0.00 C ATOM 1483 CG ASN A 99 36.158 13.297 -13.639 1.00 0.00 C ATOM 1484 OD1 ASN A 99 36.526 13.566 -12.503 1.00 0.00 O ATOM 1485 ND2 ASN A 99 36.515 14.078 -14.636 1.00 0.00 N ATOM 0 H ASN A 99 37.164 10.721 -14.915 1.00 0.00 H new ATOM 0 HA ASN A 99 36.102 11.015 -12.244 1.00 0.00 H new ATOM 0 HB2 ASN A 99 35.241 11.931 -15.013 1.00 0.00 H new ATOM 0 HB3 ASN A 99 34.287 12.252 -13.578 1.00 0.00 H new ATOM 0 HD21 ASN A 99 37.093 14.899 -14.459 1.00 0.00 H new ATOM 0 HD22 ASN A 99 36.213 13.862 -15.586 1.00 0.00 H new ATOM 1492 N PHE A 100 35.168 8.446 -12.831 1.00 0.00 N ATOM 1493 CA PHE A 100 34.275 7.288 -12.874 1.00 0.00 C ATOM 1494 C PHE A 100 32.973 7.527 -12.096 1.00 0.00 C ATOM 1495 O PHE A 100 32.981 7.753 -10.885 1.00 0.00 O ATOM 1496 CB PHE A 100 34.988 6.018 -12.399 1.00 0.00 C ATOM 1497 CG PHE A 100 34.091 4.798 -12.508 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.470 4.495 -13.736 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.817 4.003 -11.377 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.589 3.411 -13.842 1.00 0.00 C ATOM 1501 CE2 PHE A 100 32.915 2.929 -11.476 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.288 2.646 -12.701 1.00 0.00 C ATOM 0 H PHE A 100 36.098 8.236 -12.467 1.00 0.00 H new ATOM 0 HA PHE A 100 33.994 7.142 -13.917 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.889 5.862 -12.993 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.307 6.145 -11.364 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.675 5.104 -14.604 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.299 4.219 -10.435 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.144 3.164 -14.794 1.00 0.00 H new ATOM 0 HE2 PHE A 100 32.704 2.321 -10.609 1.00 0.00 H new ATOM 0 HZ PHE A 100 31.573 1.839 -12.767 1.00 0.00 H new ATOM 1512 N CYS A 101 31.855 7.505 -12.824 1.00 0.00 N ATOM 1513 CA CYS A 101 30.507 7.853 -12.373 1.00 0.00 C ATOM 1514 C CYS A 101 30.350 9.209 -11.657 1.00 0.00 C ATOM 1515 O CYS A 101 29.394 9.398 -10.906 1.00 0.00 O ATOM 1516 CB CYS A 101 29.919 6.676 -11.571 1.00 0.00 C ATOM 1517 SG CYS A 101 29.765 5.187 -12.600 1.00 0.00 S ATOM 0 H CYS A 101 31.868 7.226 -13.805 1.00 0.00 H new ATOM 0 HA CYS A 101 29.922 8.016 -13.278 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.557 6.463 -10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.940 6.953 -11.180 1.00 0.00 H new ATOM 0 HG CYS A 101 30.932 4.630 -12.735 1.00 0.00 H new ATOM 1523 N ASN A 102 31.237 10.185 -11.894 1.00 0.00 N ATOM 1524 CA ASN A 102 31.148 11.515 -11.265 1.00 0.00 C ATOM 1525 C ASN A 102 29.866 12.290 -11.639 1.00 0.00 C ATOM 1526 O ASN A 102 29.508 13.252 -10.965 1.00 0.00 O ATOM 1527 CB ASN A 102 32.411 12.319 -11.595 1.00 0.00 C ATOM 1528 CG ASN A 102 32.549 13.565 -10.727 1.00 0.00 C ATOM 1529 OD1 ASN A 102 32.694 13.490 -9.515 1.00 0.00 O ATOM 1530 ND2 ASN A 102 32.515 14.739 -11.311 1.00 0.00 N ATOM 0 H ASN A 102 32.033 10.079 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 102 31.082 11.364 -10.188 1.00 0.00 H new ATOM 0 HB2 ASN A 102 33.288 11.686 -11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 102 32.389 12.611 -12.645 1.00 0.00 H new ATOM 0 HD21 ASN A 102 32.609 15.588 -10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 102 32.394 14.802 -12.322 1.00 0.00 H new ATOM 1537 N GLY A 103 29.146 11.873 -12.686 1.00 0.00 N ATOM 1538 CA GLY A 103 27.815 12.392 -12.987 1.00 0.00 C ATOM 1539 C GLY A 103 26.822 11.941 -11.912 1.00 0.00 C ATOM 1540 O GLY A 103 26.405 12.739 -11.076 1.00 0.00 O ATOM 0 H GLY A 103 29.472 11.167 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.842 13.481 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.490 12.038 -13.965 1.00 0.00 H new ATOM 1544 N GLY A 104 26.524 10.637 -11.846 1.00 0.00 N ATOM 1545 CA GLY A 104 25.587 10.064 -10.861 1.00 0.00 C ATOM 1546 C GLY A 104 25.967 10.334 -9.397 1.00 0.00 C ATOM 1547 O GLY A 104 25.095 10.630 -8.579 1.00 0.00 O ATOM 0 H GLY A 104 26.926 9.943 -12.476 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.592 10.467 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.528 8.987 -11.016 1.00 0.00 H new ATOM 1551 N LYS A 105 27.269 10.340 -9.068 1.00 0.00 N ATOM 1552 CA LYS A 105 27.777 10.702 -7.724 1.00 0.00 C ATOM 1553 C LYS A 105 27.376 12.112 -7.274 1.00 0.00 C ATOM 1554 O LYS A 105 27.013 12.294 -6.114 1.00 0.00 O ATOM 1555 CB LYS A 105 29.306 10.551 -7.684 1.00 0.00 C ATOM 1556 CG LYS A 105 29.750 9.081 -7.639 1.00 0.00 C ATOM 1557 CD LYS A 105 31.264 8.957 -7.867 1.00 0.00 C ATOM 1558 CE LYS A 105 31.723 7.504 -7.688 1.00 0.00 C ATOM 1559 NZ LYS A 105 33.164 7.350 -8.040 1.00 0.00 N1+ ATOM 0 H LYS A 105 28.007 10.093 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 105 27.310 10.012 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.739 11.031 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.697 11.072 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.487 8.647 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.216 8.512 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.515 9.302 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.796 9.600 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.562 7.193 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 105 31.120 6.849 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.488 6.400 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.286 7.477 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.724 8.065 -7.533 1.00 0.00 H new ATOM 1573 N GLN A 106 27.364 13.094 -8.180 1.00 0.00 N ATOM 1574 CA GLN A 106 26.858 14.441 -7.877 1.00 0.00 C ATOM 1575 C GLN A 106 25.356 14.436 -7.543 1.00 0.00 C ATOM 1576 O GLN A 106 24.931 15.190 -6.671 1.00 0.00 O ATOM 1577 CB GLN A 106 27.129 15.405 -9.040 1.00 0.00 C ATOM 1578 CG GLN A 106 28.592 15.863 -9.103 1.00 0.00 C ATOM 1579 CD GLN A 106 28.807 16.726 -10.343 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.763 17.948 -10.301 1.00 0.00 O ATOM 1581 NE2 GLN A 106 29.008 16.118 -11.492 1.00 0.00 N ATOM 0 H GLN A 106 27.701 12.982 -9.136 1.00 0.00 H new ATOM 0 HA GLN A 106 27.397 14.785 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.865 14.918 -9.979 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.484 16.278 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.845 16.428 -8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 106 29.253 14.997 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 106 29.045 15.099 -11.530 1.00 0.00 H new ATOM 0 HE22 GLN A 106 29.127 16.665 -12.345 1.00 0.00 H new ATOM 1590 N PHE A 107 24.551 13.572 -8.174 1.00 0.00 N ATOM 1591 CA PHE A 107 23.134 13.446 -7.823 1.00 0.00 C ATOM 1592 C PHE A 107 22.913 12.714 -6.480 1.00 0.00 C ATOM 1593 O PHE A 107 21.964 13.024 -5.769 1.00 0.00 O ATOM 1594 CB PHE A 107 22.336 12.824 -8.978 1.00 0.00 C ATOM 1595 CG PHE A 107 20.906 13.337 -9.008 1.00 0.00 C ATOM 1596 CD1 PHE A 107 19.946 12.822 -8.117 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.555 14.402 -9.858 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.640 13.339 -8.092 1.00 0.00 C ATOM 1599 CE2 PHE A 107 19.253 14.935 -9.821 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.291 14.395 -8.948 1.00 0.00 C ATOM 0 H PHE A 107 24.856 12.954 -8.926 1.00 0.00 H new ATOM 0 HA PHE A 107 22.747 14.453 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.826 13.053 -9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.332 11.739 -8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.216 12.021 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.286 14.811 -10.540 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.907 12.925 -7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 107 18.991 15.762 -10.465 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.287 14.792 -8.937 1.00 0.00 H new ATOM 1610 N ASP A 108 23.784 11.786 -6.069 1.00 0.00 N ATOM 1611 CA ASP A 108 23.721 11.245 -4.700 1.00 0.00 C ATOM 1612 C ASP A 108 24.088 12.340 -3.670 1.00 0.00 C ATOM 1613 O ASP A 108 23.356 12.566 -2.703 1.00 0.00 O ATOM 1614 CB ASP A 108 24.636 10.027 -4.556 1.00 0.00 C ATOM 1615 CG ASP A 108 24.544 9.425 -3.145 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.439 9.025 -2.712 1.00 0.00 O ATOM 1617 OD2 ASP A 108 25.584 9.317 -2.458 1.00 0.00 O1- ATOM 0 H ASP A 108 24.528 11.398 -6.649 1.00 0.00 H new ATOM 0 HA ASP A 108 22.699 10.920 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.361 9.273 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.666 10.316 -4.764 1.00 0.00 H new ATOM 1622 N ALA A 109 25.171 13.090 -3.929 1.00 0.00 N ATOM 1623 CA ALA A 109 25.580 14.241 -3.116 1.00 0.00 C ATOM 1624 C ALA A 109 24.507 15.348 -3.011 1.00 0.00 C ATOM 1625 O ALA A 109 24.344 15.930 -1.936 1.00 0.00 O ATOM 1626 CB ALA A 109 26.899 14.793 -3.672 1.00 0.00 C ATOM 0 H ALA A 109 25.792 12.910 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 109 25.717 13.889 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.215 15.650 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.665 14.019 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.756 15.104 -4.707 1.00 0.00 H new ATOM 1632 N LEU A 110 23.733 15.598 -4.078 1.00 0.00 N ATOM 1633 CA LEU A 110 22.582 16.520 -4.089 1.00 0.00 C ATOM 1634 C LEU A 110 21.642 16.255 -2.912 1.00 0.00 C ATOM 1635 O LEU A 110 21.196 17.188 -2.254 1.00 0.00 O ATOM 1636 CB LEU A 110 21.804 16.346 -5.411 1.00 0.00 C ATOM 1637 CG LEU A 110 20.556 17.230 -5.595 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.961 18.666 -5.887 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.713 16.684 -6.748 1.00 0.00 C ATOM 0 H LEU A 110 23.893 15.154 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 110 22.960 17.539 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.487 16.543 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.498 15.303 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 110 19.971 17.215 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.068 19.277 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.551 19.054 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.556 18.698 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.829 17.308 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.302 16.691 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.406 15.663 -6.522 1.00 0.00 H new ATOM 1651 N LEU A 111 21.348 14.984 -2.638 1.00 0.00 N ATOM 1652 CA LEU A 111 20.360 14.588 -1.637 1.00 0.00 C ATOM 1653 C LEU A 111 20.940 14.640 -0.215 1.00 0.00 C ATOM 1654 O LEU A 111 20.235 15.034 0.715 1.00 0.00 O ATOM 1655 CB LEU A 111 19.756 13.232 -2.055 1.00 0.00 C ATOM 1656 CG LEU A 111 19.160 13.250 -3.482 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.568 11.890 -3.830 1.00 0.00 C ATOM 1658 CD2 LEU A 111 18.083 14.320 -3.672 1.00 0.00 C ATOM 0 H LEU A 111 21.792 14.195 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 111 19.537 15.302 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.528 12.464 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 111 18.977 12.953 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 111 19.988 13.490 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.153 11.921 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.348 11.130 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 111 17.778 11.644 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.706 14.279 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.264 14.140 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.511 15.304 -3.482 1.00 0.00 H new ATOM 1670 N GLN A 112 22.239 14.377 -0.028 1.00 0.00 N ATOM 1671 CA GLN A 112 22.905 14.637 1.259 1.00 0.00 C ATOM 1672 C GLN A 112 22.962 16.137 1.585 1.00 0.00 C ATOM 1673 O GLN A 112 22.811 16.504 2.748 1.00 0.00 O ATOM 1674 CB GLN A 112 24.321 14.034 1.305 1.00 0.00 C ATOM 1675 CG GLN A 112 24.333 12.713 2.085 1.00 0.00 C ATOM 1676 CD GLN A 112 23.727 11.569 1.279 1.00 0.00 C ATOM 1677 OE1 GLN A 112 24.383 10.958 0.447 1.00 0.00 O ATOM 1678 NE2 GLN A 112 22.470 11.239 1.474 1.00 0.00 N ATOM 0 H GLN A 112 22.849 13.986 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 112 22.298 14.146 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.681 13.864 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.006 14.742 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.358 12.462 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 112 23.777 12.836 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 112 21.912 11.741 2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 112 22.052 10.481 0.934 1.00 0.00 H new ATOM 1687 N GLU A 113 23.078 17.013 0.580 1.00 0.00 N ATOM 1688 CA GLU A 113 22.924 18.464 0.767 1.00 0.00 C ATOM 1689 C GLU A 113 21.511 18.841 1.271 1.00 0.00 C ATOM 1690 O GLU A 113 21.363 19.838 1.984 1.00 0.00 O ATOM 1691 CB GLU A 113 23.271 19.199 -0.544 1.00 0.00 C ATOM 1692 CG GLU A 113 23.522 20.703 -0.384 1.00 0.00 C ATOM 1693 CD GLU A 113 24.827 20.994 0.384 1.00 0.00 C ATOM 1694 OE1 GLU A 113 25.904 21.082 -0.256 1.00 0.00 O ATOM 1695 OE2 GLU A 113 24.787 21.142 1.629 1.00 0.00 O1- ATOM 0 H GLU A 113 23.280 16.740 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 113 23.620 18.781 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 113 24.159 18.740 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 113 22.457 19.053 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 113 23.569 21.169 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 113 22.683 21.156 0.143 1.00 0.00 H new ATOM 1702 N GLN A 114 20.484 18.021 0.984 1.00 0.00 N ATOM 1703 CA GLN A 114 19.128 18.226 1.525 1.00 0.00 C ATOM 1704 C GLN A 114 18.973 17.668 2.952 1.00 0.00 C ATOM 1705 O GLN A 114 18.119 18.147 3.694 1.00 0.00 O ATOM 1706 CB GLN A 114 18.044 17.573 0.641 1.00 0.00 C ATOM 1707 CG GLN A 114 18.092 17.888 -0.859 1.00 0.00 C ATOM 1708 CD GLN A 114 17.942 19.368 -1.199 1.00 0.00 C ATOM 1709 OE1 GLN A 114 18.899 20.116 -1.323 1.00 0.00 O ATOM 1710 NE2 GLN A 114 16.733 19.839 -1.423 1.00 0.00 N ATOM 0 H GLN A 114 20.568 17.206 0.377 1.00 0.00 H new ATOM 0 HA GLN A 114 18.991 19.307 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.112 16.492 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.068 17.876 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.039 17.529 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 114 17.300 17.331 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 114 15.922 19.229 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 114 16.608 20.814 -1.695 1.00 0.00 H new ATOM 1719 N SER A 115 19.764 16.648 3.313 1.00 0.00 N ATOM 1720 CA SER A 115 19.786 15.849 4.566 1.00 0.00 C ATOM 1721 C SER A 115 19.105 14.472 4.405 1.00 0.00 C ATOM 1722 O SER A 115 18.735 13.842 5.396 1.00 0.00 O ATOM 1723 CB SER A 115 19.234 16.578 5.811 1.00 0.00 C ATOM 1724 OG SER A 115 19.811 17.863 5.960 1.00 0.00 O ATOM 0 H SER A 115 20.485 16.320 2.671 1.00 0.00 H new ATOM 0 HA SER A 115 20.849 15.695 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.151 16.672 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.435 15.982 6.701 1.00 0.00 H new ATOM 0 HG SER A 115 19.124 18.498 6.251 1.00 0.00 H new ATOM 1730 N ALA A 116 18.894 14.011 3.162 1.00 0.00 N ATOM 1731 CA ALA A 116 18.215 12.750 2.847 1.00 0.00 C ATOM 1732 C ALA A 116 18.910 11.507 3.444 1.00 0.00 C ATOM 1733 O ALA A 116 20.124 11.501 3.668 1.00 0.00 O ATOM 1734 CB ALA A 116 18.115 12.637 1.322 1.00 0.00 C ATOM 0 H ALA A 116 19.199 14.518 2.331 1.00 0.00 H new ATOM 0 HA ALA A 116 17.227 12.772 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.613 11.706 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.545 13.480 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 116 19.116 12.644 0.890 1.00 0.00 H new ATOM 1740 N GLN A 117 18.145 10.426 3.617 1.00 0.00 N ATOM 1741 CA GLN A 117 18.520 9.220 4.350 1.00 0.00 C ATOM 1742 C GLN A 117 18.381 7.987 3.452 1.00 0.00 C ATOM 1743 O GLN A 117 17.316 7.378 3.352 1.00 0.00 O ATOM 1744 CB GLN A 117 17.669 9.115 5.633 1.00 0.00 C ATOM 1745 CG GLN A 117 17.840 10.313 6.582 1.00 0.00 C ATOM 1746 CD GLN A 117 17.028 10.137 7.865 1.00 0.00 C ATOM 1747 OE1 GLN A 117 17.324 9.300 8.709 1.00 0.00 O ATOM 1748 NE2 GLN A 117 15.977 10.901 8.070 1.00 0.00 N ATOM 0 H GLN A 117 17.203 10.368 3.230 1.00 0.00 H new ATOM 0 HA GLN A 117 19.567 9.275 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.618 9.028 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 117 17.936 8.201 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 117 18.894 10.432 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.527 11.226 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 117 15.715 11.604 7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 117 15.424 10.791 8.920 1.00 0.00 H new ATOM 1757 N ARG A 118 19.443 7.657 2.709 1.00 0.00 N ATOM 1758 CA ARG A 118 19.417 6.572 1.711 1.00 0.00 C ATOM 1759 C ARG A 118 19.153 5.207 2.372 1.00 0.00 C ATOM 1760 O ARG A 118 19.719 4.894 3.421 1.00 0.00 O ATOM 1761 CB ARG A 118 20.748 6.559 0.922 1.00 0.00 C ATOM 1762 CG ARG A 118 20.597 5.959 -0.490 1.00 0.00 C ATOM 1763 CD ARG A 118 21.900 5.740 -1.295 1.00 0.00 C ATOM 1764 NE ARG A 118 22.931 6.780 -1.103 1.00 0.00 N ATOM 1765 CZ ARG A 118 23.931 6.783 -0.242 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.118 5.846 0.649 1.00 0.00 N1+ ATOM 1767 NH2 ARG A 118 24.789 7.752 -0.283 1.00 0.00 N ATOM 0 H ARG A 118 20.344 8.130 2.779 1.00 0.00 H new ATOM 0 HA ARG A 118 18.596 6.757 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.127 7.578 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.490 5.986 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 118 20.088 5.000 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 118 19.945 6.612 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.323 4.774 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.651 5.687 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 118 22.862 7.596 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.472 5.059 0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 118 24.910 5.902 1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 118 24.685 8.496 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 118 25.568 7.771 0.375 1.00 0.00 H new ATOM 1781 N VAL A 119 18.345 4.370 1.718 1.00 0.00 N ATOM 1782 CA VAL A 119 17.985 3.004 2.164 1.00 0.00 C ATOM 1783 C VAL A 119 18.938 1.940 1.573 1.00 0.00 C ATOM 1784 O VAL A 119 18.533 0.832 1.230 1.00 0.00 O ATOM 1785 CB VAL A 119 16.495 2.677 1.869 1.00 0.00 C ATOM 1786 CG1 VAL A 119 15.961 1.652 2.877 1.00 0.00 C ATOM 1787 CG2 VAL A 119 15.560 3.890 1.964 1.00 0.00 C ATOM 0 H VAL A 119 17.904 4.624 0.834 1.00 0.00 H new ATOM 0 HA VAL A 119 18.108 2.975 3.247 1.00 0.00 H new ATOM 0 HB VAL A 119 16.493 2.302 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.916 1.434 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 119 16.545 0.735 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.041 2.058 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.538 3.580 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 119 15.605 4.306 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 119 15.872 4.647 1.244 1.00 0.00 H new ATOM 1797 N GLY A 120 20.212 2.295 1.380 1.00 0.00 N ATOM 1798 CA GLY A 120 21.210 1.446 0.717 1.00 0.00 C ATOM 1799 C GLY A 120 22.482 2.194 0.318 1.00 0.00 C ATOM 1800 O GLY A 120 22.759 3.292 0.805 1.00 0.00 O ATOM 0 H GLY A 120 20.586 3.194 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.475 0.624 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.764 1.004 -0.174 1.00 0.00 H new ATOM 1804 N GLU A 121 23.236 1.613 -0.615 1.00 0.00 N ATOM 1805 CA GLU A 121 24.490 2.155 -1.164 1.00 0.00 C ATOM 1806 C GLU A 121 24.427 2.257 -2.699 1.00 0.00 C ATOM 1807 O GLU A 121 23.757 1.465 -3.368 1.00 0.00 O ATOM 1808 CB GLU A 121 25.675 1.277 -0.731 1.00 0.00 C ATOM 1809 CG GLU A 121 25.907 1.292 0.787 1.00 0.00 C ATOM 1810 CD GLU A 121 27.156 0.472 1.159 1.00 0.00 C ATOM 1811 OE1 GLU A 121 28.275 1.041 1.181 1.00 0.00 O1- ATOM 1812 OE2 GLU A 121 27.031 -0.746 1.439 1.00 0.00 O ATOM 0 H GLU A 121 22.984 0.715 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 121 24.630 3.161 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.499 0.252 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.578 1.621 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 121 26.026 2.320 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 121 25.034 0.884 1.297 1.00 0.00 H new ATOM 1819 N MET A 122 25.118 3.256 -3.256 1.00 0.00 N ATOM 1820 CA MET A 122 25.081 3.595 -4.682 1.00 0.00 C ATOM 1821 C MET A 122 25.768 2.529 -5.550 1.00 0.00 C ATOM 1822 O MET A 122 26.945 2.214 -5.346 1.00 0.00 O ATOM 1823 CB MET A 122 25.721 4.981 -4.863 1.00 0.00 C ATOM 1824 CG MET A 122 25.887 5.407 -6.328 1.00 0.00 C ATOM 1825 SD MET A 122 26.185 7.186 -6.574 1.00 0.00 S ATOM 1826 CE MET A 122 27.393 7.546 -5.264 1.00 0.00 C ATOM 0 H MET A 122 25.732 3.865 -2.716 1.00 0.00 H new ATOM 0 HA MET A 122 24.045 3.622 -5.020 1.00 0.00 H new ATOM 0 HB2 MET A 122 25.110 5.722 -4.347 1.00 0.00 H new ATOM 0 HB3 MET A 122 26.699 4.984 -4.382 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.717 4.850 -6.762 1.00 0.00 H new ATOM 0 HG3 MET A 122 24.990 5.123 -6.879 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.677 8.597 -5.310 1.00 0.00 H new ATOM 0 HE2 MET A 122 26.950 7.332 -4.291 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.278 6.925 -5.404 1.00 0.00 H new ATOM 1836 N LEU A 123 25.039 1.998 -6.534 1.00 0.00 N ATOM 1837 CA LEU A 123 25.560 1.045 -7.521 1.00 0.00 C ATOM 1838 C LEU A 123 26.393 1.786 -8.589 1.00 0.00 C ATOM 1839 O LEU A 123 26.001 2.879 -9.004 1.00 0.00 O ATOM 1840 CB LEU A 123 24.340 0.299 -8.111 1.00 0.00 C ATOM 1841 CG LEU A 123 24.542 -1.073 -8.784 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.009 -0.964 -10.230 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.500 -1.988 -8.018 1.00 0.00 C ATOM 0 H LEU A 123 24.053 2.221 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 123 26.238 0.319 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.618 0.164 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 123 23.878 0.958 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 123 23.549 -1.523 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.133 -1.963 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.267 -0.416 -10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 123 25.961 -0.435 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.597 -2.937 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.478 -1.512 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 123 25.108 -2.168 -7.017 1.00 0.00 H new ATOM 1855 N LEU A 124 27.516 1.209 -9.040 1.00 0.00 N ATOM 1856 CA LEU A 124 28.486 1.841 -9.954 1.00 0.00 C ATOM 1857 C LEU A 124 28.776 0.947 -11.179 1.00 0.00 C ATOM 1858 O LEU A 124 29.665 0.093 -11.156 1.00 0.00 O ATOM 1859 CB LEU A 124 29.787 2.189 -9.191 1.00 0.00 C ATOM 1860 CG LEU A 124 29.663 3.134 -7.978 1.00 0.00 C ATOM 1861 CD1 LEU A 124 31.036 3.326 -7.333 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.140 4.514 -8.367 1.00 0.00 C ATOM 0 H LEU A 124 27.785 0.262 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 124 28.048 2.765 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.237 1.257 -8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.484 2.638 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 124 28.956 2.670 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 124 30.945 3.994 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.421 2.361 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.722 3.760 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 124 29.071 5.141 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.822 4.973 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.153 4.415 -8.819 1.00 0.00 H new ATOM 1874 N ILE A 125 27.984 1.124 -12.238 1.00 0.00 N ATOM 1875 CA ILE A 125 28.040 0.349 -13.491 1.00 0.00 C ATOM 1876 C ILE A 125 29.222 0.806 -14.366 1.00 0.00 C ATOM 1877 O ILE A 125 29.395 2.008 -14.591 1.00 0.00 O ATOM 1878 CB ILE A 125 26.709 0.503 -14.263 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.501 0.128 -13.378 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.718 -0.342 -15.550 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.145 0.481 -13.984 1.00 0.00 C ATOM 0 H ILE A 125 27.255 1.838 -12.253 1.00 0.00 H new ATOM 0 HA ILE A 125 28.190 -0.702 -13.243 1.00 0.00 H new ATOM 0 HB ILE A 125 26.610 1.552 -14.542 1.00 0.00 H new ATOM 0 HG12 ILE A 125 25.529 -0.943 -13.180 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.599 0.633 -12.417 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.771 -0.216 -16.074 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.535 -0.016 -16.193 1.00 0.00 H new ATOM 0 HG23 ILE A 125 26.854 -1.393 -15.294 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.352 0.184 -13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 125 24.092 1.556 -14.156 1.00 0.00 H new ATOM 0 HD13 ILE A 125 24.022 -0.045 -14.931 1.00 0.00 H new ATOM 1893 N ASP A 126 29.994 -0.143 -14.910 1.00 0.00 N ATOM 1894 CA ASP A 126 31.246 0.128 -15.632 1.00 0.00 C ATOM 1895 C ASP A 126 31.290 -0.511 -17.031 1.00 0.00 C ATOM 1896 O ASP A 126 31.616 -1.691 -17.207 1.00 0.00 O ATOM 1897 CB ASP A 126 32.446 -0.327 -14.792 1.00 0.00 C ATOM 1898 CG ASP A 126 33.800 0.107 -15.384 1.00 0.00 C ATOM 1899 OD1 ASP A 126 33.859 0.745 -16.469 1.00 0.00 O1- ATOM 1900 OD2 ASP A 126 34.831 -0.207 -14.748 1.00 0.00 O ATOM 0 H ASP A 126 29.764 -1.136 -14.861 1.00 0.00 H new ATOM 0 HA ASP A 126 31.295 1.206 -15.788 1.00 0.00 H new ATOM 0 HB2 ASP A 126 32.351 0.078 -13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.427 -1.413 -14.702 1.00 0.00 H new ATOM 1905 N ALA A 127 30.992 0.296 -18.051 1.00 0.00 N ATOM 1906 CA ALA A 127 31.022 -0.107 -19.453 1.00 0.00 C ATOM 1907 C ALA A 127 32.393 -0.632 -19.945 1.00 0.00 C ATOM 1908 O ALA A 127 32.435 -1.287 -20.990 1.00 0.00 O ATOM 1909 CB ALA A 127 30.529 1.069 -20.300 1.00 0.00 C ATOM 0 H ALA A 127 30.717 1.269 -17.919 1.00 0.00 H new ATOM 0 HA ALA A 127 30.361 -0.966 -19.562 1.00 0.00 H new ATOM 0 HB1 ALA A 127 30.543 0.790 -21.354 1.00 0.00 H new ATOM 0 HB2 ALA A 127 29.512 1.327 -20.007 1.00 0.00 H new ATOM 0 HB3 ALA A 127 31.181 1.928 -20.144 1.00 0.00 H new ATOM 1915 N SER A 128 33.497 -0.407 -19.215 1.00 0.00 N ATOM 1916 CA SER A 128 34.811 -0.976 -19.565 1.00 0.00 C ATOM 1917 C SER A 128 34.930 -2.487 -19.284 1.00 0.00 C ATOM 1918 O SER A 128 35.852 -3.130 -19.795 1.00 0.00 O ATOM 1919 CB SER A 128 35.951 -0.216 -18.873 1.00 0.00 C ATOM 1920 OG SER A 128 35.989 -0.448 -17.483 1.00 0.00 O ATOM 0 H SER A 128 33.506 0.169 -18.373 1.00 0.00 H new ATOM 0 HA SER A 128 34.900 -0.853 -20.644 1.00 0.00 H new ATOM 0 HB2 SER A 128 36.902 -0.514 -19.314 1.00 0.00 H new ATOM 0 HB3 SER A 128 35.835 0.852 -19.057 1.00 0.00 H new ATOM 0 HG SER A 128 35.482 0.252 -17.021 1.00 0.00 H new ATOM 1926 N GLU A 129 33.997 -3.069 -18.517 1.00 0.00 N ATOM 1927 CA GLU A 129 33.996 -4.496 -18.153 1.00 0.00 C ATOM 1928 C GLU A 129 32.607 -5.171 -18.163 1.00 0.00 C ATOM 1929 O GLU A 129 32.531 -6.399 -18.071 1.00 0.00 O ATOM 1930 CB GLU A 129 34.707 -4.702 -16.804 1.00 0.00 C ATOM 1931 CG GLU A 129 34.033 -4.000 -15.617 1.00 0.00 C ATOM 1932 CD GLU A 129 34.691 -4.429 -14.291 1.00 0.00 C ATOM 1933 OE1 GLU A 129 35.869 -4.074 -14.039 1.00 0.00 O ATOM 1934 OE2 GLU A 129 34.039 -5.143 -13.490 1.00 0.00 O1- ATOM 0 H GLU A 129 33.208 -2.554 -18.125 1.00 0.00 H new ATOM 0 HA GLU A 129 34.550 -5.001 -18.944 1.00 0.00 H new ATOM 0 HB2 GLU A 129 34.761 -5.770 -16.595 1.00 0.00 H new ATOM 0 HB3 GLU A 129 35.732 -4.342 -16.889 1.00 0.00 H new ATOM 0 HG2 GLU A 129 34.110 -2.919 -15.735 1.00 0.00 H new ATOM 0 HG3 GLU A 129 32.971 -4.244 -15.598 1.00 0.00 H new ATOM 1941 N ASN A 130 31.516 -4.412 -18.325 1.00 0.00 N ATOM 1942 CA ASN A 130 30.152 -4.940 -18.429 1.00 0.00 C ATOM 1943 C ASN A 130 29.349 -4.267 -19.573 1.00 0.00 C ATOM 1944 O ASN A 130 28.973 -3.098 -19.442 1.00 0.00 O ATOM 1945 CB ASN A 130 29.437 -4.783 -17.075 1.00 0.00 C ATOM 1946 CG ASN A 130 27.990 -5.246 -17.160 1.00 0.00 C ATOM 1947 OD1 ASN A 130 27.626 -6.087 -17.968 1.00 0.00 O ATOM 1948 ND2 ASN A 130 27.108 -4.681 -16.377 1.00 0.00 N ATOM 0 H ASN A 130 31.559 -3.395 -18.389 1.00 0.00 H new ATOM 0 HA ASN A 130 30.213 -5.999 -18.681 1.00 0.00 H new ATOM 0 HB2 ASN A 130 29.962 -5.360 -16.314 1.00 0.00 H new ATOM 0 HB3 ASN A 130 29.470 -3.739 -16.762 1.00 0.00 H new ATOM 0 HD21 ASN A 130 26.125 -4.943 -16.444 1.00 0.00 H new ATOM 0 HD22 ASN A 130 27.404 -3.978 -15.700 1.00 0.00 H new ATOM 1955 N PRO A 131 29.031 -4.987 -20.670 1.00 0.00 N ATOM 1956 CA PRO A 131 28.180 -4.492 -21.759 1.00 0.00 C ATOM 1957 C PRO A 131 26.663 -4.534 -21.457 1.00 0.00 C ATOM 1958 O PRO A 131 25.870 -4.085 -22.284 1.00 0.00 O ATOM 1959 CB PRO A 131 28.533 -5.382 -22.957 1.00 0.00 C ATOM 1960 CG PRO A 131 28.863 -6.727 -22.311 1.00 0.00 C ATOM 1961 CD PRO A 131 29.519 -6.325 -20.992 1.00 0.00 C ATOM 0 HA PRO A 131 28.371 -3.433 -21.934 1.00 0.00 H new ATOM 0 HB2 PRO A 131 27.700 -5.465 -23.656 1.00 0.00 H new ATOM 0 HB3 PRO A 131 29.380 -4.986 -23.517 1.00 0.00 H new ATOM 0 HG2 PRO A 131 27.968 -7.327 -22.150 1.00 0.00 H new ATOM 0 HG3 PRO A 131 29.536 -7.318 -22.932 1.00 0.00 H new ATOM 0 HD2 PRO A 131 29.263 -7.031 -20.202 1.00 0.00 H new ATOM 0 HD3 PRO A 131 30.605 -6.329 -21.083 1.00 0.00 H new ATOM 1969 N GLU A 132 26.237 -5.044 -20.294 1.00 0.00 N ATOM 1970 CA GLU A 132 24.827 -5.268 -19.917 1.00 0.00 C ATOM 1971 C GLU A 132 24.500 -4.672 -18.525 1.00 0.00 C ATOM 1972 O GLU A 132 24.479 -5.404 -17.526 1.00 0.00 O ATOM 1973 CB GLU A 132 24.496 -6.774 -19.972 1.00 0.00 C ATOM 1974 CG GLU A 132 24.609 -7.420 -21.362 1.00 0.00 C ATOM 1975 CD GLU A 132 23.648 -6.826 -22.417 1.00 0.00 C ATOM 1976 OE1 GLU A 132 22.557 -6.316 -22.060 1.00 0.00 O ATOM 1977 OE2 GLU A 132 23.966 -6.908 -23.630 1.00 0.00 O1- ATOM 0 H GLU A 132 26.886 -5.324 -19.559 1.00 0.00 H new ATOM 0 HA GLU A 132 24.199 -4.746 -20.639 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.162 -7.301 -19.289 1.00 0.00 H new ATOM 0 HB3 GLU A 132 23.481 -6.920 -19.603 1.00 0.00 H new ATOM 0 HG2 GLU A 132 25.633 -7.312 -21.718 1.00 0.00 H new ATOM 0 HG3 GLU A 132 24.414 -8.489 -21.271 1.00 0.00 H new ATOM 1984 N PRO A 133 24.249 -3.345 -18.422 1.00 0.00 N ATOM 1985 CA PRO A 133 23.891 -2.631 -17.181 1.00 0.00 C ATOM 1986 C PRO A 133 22.854 -3.322 -16.279 1.00 0.00 C ATOM 1987 O PRO A 133 22.959 -3.305 -15.052 1.00 0.00 O ATOM 1988 CB PRO A 133 23.364 -1.276 -17.673 1.00 0.00 C ATOM 1989 CG PRO A 133 24.183 -1.009 -18.927 1.00 0.00 C ATOM 1990 CD PRO A 133 24.318 -2.401 -19.534 1.00 0.00 C ATOM 0 HA PRO A 133 24.765 -2.574 -16.532 1.00 0.00 H new ATOM 0 HB2 PRO A 133 22.297 -1.316 -17.892 1.00 0.00 H new ATOM 0 HB3 PRO A 133 23.507 -0.495 -16.926 1.00 0.00 H new ATOM 0 HG2 PRO A 133 23.678 -0.319 -19.603 1.00 0.00 H new ATOM 0 HG3 PRO A 133 25.154 -0.572 -18.693 1.00 0.00 H new ATOM 0 HD2 PRO A 133 23.521 -2.590 -20.253 1.00 0.00 H new ATOM 0 HD3 PRO A 133 25.262 -2.501 -20.070 1.00 0.00 H new ATOM 1998 N GLU A 134 21.872 -3.982 -16.895 1.00 0.00 N ATOM 1999 CA GLU A 134 20.848 -4.819 -16.255 1.00 0.00 C ATOM 2000 C GLU A 134 21.436 -5.822 -15.250 1.00 0.00 C ATOM 2001 O GLU A 134 20.960 -5.936 -14.122 1.00 0.00 O ATOM 2002 CB GLU A 134 20.129 -5.564 -17.391 1.00 0.00 C ATOM 2003 CG GLU A 134 18.914 -6.382 -16.946 1.00 0.00 C ATOM 2004 CD GLU A 134 18.304 -7.144 -18.139 1.00 0.00 C ATOM 2005 OE1 GLU A 134 17.693 -6.509 -19.033 1.00 0.00 O ATOM 2006 OE2 GLU A 134 18.453 -8.391 -18.202 1.00 0.00 O1- ATOM 0 H GLU A 134 21.761 -3.947 -17.908 1.00 0.00 H new ATOM 0 HA GLU A 134 20.170 -4.190 -15.678 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.808 -4.838 -18.138 1.00 0.00 H new ATOM 0 HB3 GLU A 134 20.841 -6.230 -17.879 1.00 0.00 H new ATOM 0 HG2 GLU A 134 19.209 -7.088 -16.170 1.00 0.00 H new ATOM 0 HG3 GLU A 134 18.165 -5.722 -16.508 1.00 0.00 H new ATOM 2013 N THR A 135 22.513 -6.513 -15.640 1.00 0.00 N ATOM 2014 CA THR A 135 23.107 -7.635 -14.880 1.00 0.00 C ATOM 2015 C THR A 135 23.774 -7.224 -13.562 1.00 0.00 C ATOM 2016 O THR A 135 23.960 -8.060 -12.676 1.00 0.00 O ATOM 2017 CB THR A 135 24.126 -8.417 -15.726 1.00 0.00 C ATOM 2018 OG1 THR A 135 25.223 -7.616 -16.117 1.00 0.00 O ATOM 2019 CG2 THR A 135 23.472 -9.000 -16.977 1.00 0.00 C ATOM 0 H THR A 135 23.010 -6.310 -16.507 1.00 0.00 H new ATOM 0 HA THR A 135 22.256 -8.268 -14.630 1.00 0.00 H new ATOM 0 HB THR A 135 24.492 -9.224 -15.091 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.901 -6.856 -16.646 1.00 0.00 H new ATOM 0 HG21 THR A 135 24.216 -9.547 -17.555 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.669 -9.677 -16.686 1.00 0.00 H new ATOM 0 HG23 THR A 135 23.063 -8.192 -17.584 1.00 0.00 H new ATOM 2027 N GLU A 136 24.086 -5.934 -13.407 1.00 0.00 N ATOM 2028 CA GLU A 136 24.623 -5.361 -12.159 1.00 0.00 C ATOM 2029 C GLU A 136 23.555 -4.602 -11.352 1.00 0.00 C ATOM 2030 O GLU A 136 23.787 -4.261 -10.192 1.00 0.00 O ATOM 2031 CB GLU A 136 25.795 -4.422 -12.484 1.00 0.00 C ATOM 2032 CG GLU A 136 27.046 -5.176 -12.946 1.00 0.00 C ATOM 2033 CD GLU A 136 28.218 -4.198 -13.159 1.00 0.00 C ATOM 2034 OE1 GLU A 136 28.188 -3.423 -14.146 1.00 0.00 O1- ATOM 2035 OE2 GLU A 136 29.176 -4.218 -12.347 1.00 0.00 O ATOM 0 H GLU A 136 23.973 -5.246 -14.151 1.00 0.00 H new ATOM 0 HA GLU A 136 24.966 -6.191 -11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 136 25.490 -3.722 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 136 26.037 -3.831 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 136 27.321 -5.926 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 136 26.835 -5.708 -13.874 1.00 0.00 H new ATOM 2042 N SER A 137 22.368 -4.383 -11.930 1.00 0.00 N ATOM 2043 CA SER A 137 21.346 -3.485 -11.371 1.00 0.00 C ATOM 2044 C SER A 137 20.055 -4.186 -10.962 1.00 0.00 C ATOM 2045 O SER A 137 19.437 -3.800 -9.975 1.00 0.00 O ATOM 2046 CB SER A 137 20.993 -2.404 -12.389 1.00 0.00 C ATOM 2047 OG SER A 137 22.155 -1.805 -12.921 1.00 0.00 O ATOM 0 H SER A 137 22.086 -4.826 -12.804 1.00 0.00 H new ATOM 0 HA SER A 137 21.790 -3.065 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 137 20.403 -2.839 -13.196 1.00 0.00 H new ATOM 0 HB3 SER A 137 20.373 -1.643 -11.915 1.00 0.00 H new ATOM 0 HG SER A 137 22.450 -2.307 -13.709 1.00 0.00 H new ATOM 2053 N ASN A 138 19.649 -5.242 -11.661 1.00 0.00 N ATOM 2054 CA ASN A 138 18.463 -6.008 -11.289 1.00 0.00 C ATOM 2055 C ASN A 138 18.533 -6.592 -9.860 1.00 0.00 C ATOM 2056 O ASN A 138 17.634 -6.288 -9.074 1.00 0.00 O ATOM 2057 CB ASN A 138 18.216 -7.078 -12.357 1.00 0.00 C ATOM 2058 CG ASN A 138 17.538 -6.514 -13.601 1.00 0.00 C ATOM 2059 OD1 ASN A 138 17.623 -5.337 -13.924 1.00 0.00 O ATOM 2060 ND2 ASN A 138 16.795 -7.326 -14.313 1.00 0.00 N ATOM 0 H ASN A 138 20.127 -5.588 -12.493 1.00 0.00 H new ATOM 0 HA ASN A 138 17.609 -5.331 -11.256 1.00 0.00 H new ATOM 0 HB2 ASN A 138 19.166 -7.532 -12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 138 17.596 -7.870 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 138 16.294 -6.975 -15.129 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.718 -8.309 -14.051 1.00 0.00 H new ATOM 2067 N PRO A 139 19.600 -7.317 -9.448 1.00 0.00 N ATOM 2068 CA PRO A 139 19.713 -7.803 -8.070 1.00 0.00 C ATOM 2069 C PRO A 139 19.840 -6.662 -7.046 1.00 0.00 C ATOM 2070 O PRO A 139 19.376 -6.807 -5.915 1.00 0.00 O ATOM 2071 CB PRO A 139 20.929 -8.734 -8.052 1.00 0.00 C ATOM 2072 CG PRO A 139 21.786 -8.200 -9.192 1.00 0.00 C ATOM 2073 CD PRO A 139 20.749 -7.774 -10.224 1.00 0.00 C ATOM 0 HA PRO A 139 18.807 -8.331 -7.772 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.455 -8.693 -7.098 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.644 -9.774 -8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.407 -7.363 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 139 22.458 -8.963 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 139 21.133 -6.979 -10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 139 20.478 -8.605 -10.876 1.00 0.00 H new ATOM 2081 N TRP A 140 20.405 -5.510 -7.435 1.00 0.00 N ATOM 2082 CA TRP A 140 20.418 -4.306 -6.599 1.00 0.00 C ATOM 2083 C TRP A 140 18.996 -3.808 -6.299 1.00 0.00 C ATOM 2084 O TRP A 140 18.660 -3.611 -5.131 1.00 0.00 O ATOM 2085 CB TRP A 140 21.261 -3.207 -7.255 1.00 0.00 C ATOM 2086 CG TRP A 140 21.404 -1.959 -6.424 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.455 -1.647 -5.630 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.446 -0.865 -6.239 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.223 -0.434 -5.005 1.00 0.00 N ATOM 2090 CE2 TRP A 140 20.972 0.056 -5.289 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.168 -0.569 -6.754 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.255 1.174 -4.835 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.426 0.537 -6.308 1.00 0.00 C ATOM 2094 CH2 TRP A 140 18.961 1.399 -5.338 1.00 0.00 C ATOM 0 H TRP A 140 20.865 -5.389 -8.337 1.00 0.00 H new ATOM 0 HA TRP A 140 20.875 -4.567 -5.645 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.254 -3.604 -7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.812 -2.943 -8.212 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.340 -2.253 -5.503 1.00 0.00 H new ATOM 0 HE1 TRP A 140 22.900 0.039 -4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.747 -1.211 -7.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 20.689 1.849 -4.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.442 0.725 -6.712 1.00 0.00 H new ATOM 0 HH2 TRP A 140 18.379 2.235 -4.978 1.00 0.00 H new ATOM 2105 N VAL A 141 18.133 -3.659 -7.317 1.00 0.00 N ATOM 2106 CA VAL A 141 16.743 -3.203 -7.097 1.00 0.00 C ATOM 2107 C VAL A 141 15.944 -4.272 -6.349 1.00 0.00 C ATOM 2108 O VAL A 141 15.197 -3.944 -5.425 1.00 0.00 O ATOM 2109 CB VAL A 141 16.003 -2.833 -8.400 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.622 -2.230 -8.090 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.733 -1.786 -9.247 1.00 0.00 C ATOM 0 H VAL A 141 18.366 -3.844 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 141 16.817 -2.294 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 141 15.938 -3.770 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.118 -1.977 -9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 141 14.023 -2.956 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.745 -1.330 -7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.153 -1.577 -10.146 1.00 0.00 H new ATOM 0 HG22 VAL A 141 16.851 -0.869 -8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.715 -2.166 -9.529 1.00 0.00 H new ATOM 2121 N GLU A 142 16.132 -5.552 -6.697 1.00 0.00 N ATOM 2122 CA GLU A 142 15.475 -6.668 -6.008 1.00 0.00 C ATOM 2123 C GLU A 142 15.868 -6.751 -4.520 1.00 0.00 C ATOM 2124 O GLU A 142 15.042 -7.157 -3.706 1.00 0.00 O ATOM 2125 CB GLU A 142 15.771 -7.998 -6.720 1.00 0.00 C ATOM 2126 CG GLU A 142 15.031 -8.158 -8.060 1.00 0.00 C ATOM 2127 CD GLU A 142 15.406 -9.485 -8.746 1.00 0.00 C ATOM 2128 OE1 GLU A 142 14.900 -10.552 -8.319 1.00 0.00 O1- ATOM 2129 OE2 GLU A 142 16.199 -9.479 -9.720 1.00 0.00 O ATOM 0 H GLU A 142 16.742 -5.841 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 142 14.402 -6.478 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.844 -8.075 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.495 -8.822 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.955 -8.124 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.277 -7.323 -8.717 1.00 0.00 H new ATOM 2136 N HIS A 143 17.082 -6.325 -4.144 1.00 0.00 N ATOM 2137 CA HIS A 143 17.502 -6.155 -2.750 1.00 0.00 C ATOM 2138 C HIS A 143 16.917 -4.883 -2.118 1.00 0.00 C ATOM 2139 O HIS A 143 16.207 -4.987 -1.115 1.00 0.00 O ATOM 2140 CB HIS A 143 19.035 -6.146 -2.683 1.00 0.00 C ATOM 2141 CG HIS A 143 19.567 -5.861 -1.299 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.760 -6.809 -0.289 1.00 0.00 N ATOM 2143 CD2 HIS A 143 19.899 -4.627 -0.818 1.00 0.00 C ATOM 2144 CE1 HIS A 143 20.215 -6.121 0.776 1.00 0.00 C ATOM 2145 NE2 HIS A 143 20.310 -4.811 0.484 1.00 0.00 N ATOM 0 H HIS A 143 17.812 -6.085 -4.815 1.00 0.00 H new ATOM 0 HA HIS A 143 17.115 -6.993 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 143 19.413 -7.112 -3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.418 -5.396 -3.374 1.00 0.00 H new ATOM 0 HD2 HIS A 143 19.849 -3.690 -1.353 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.468 -6.559 1.730 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.631 -4.079 1.118 1.00 0.00 H new ATOM 2153 N TRP A 144 17.178 -3.698 -2.693 1.00 0.00 N ATOM 2154 CA TRP A 144 16.754 -2.392 -2.159 1.00 0.00 C ATOM 2155 C TRP A 144 15.252 -2.372 -1.856 1.00 0.00 C ATOM 2156 O TRP A 144 14.863 -2.039 -0.739 1.00 0.00 O ATOM 2157 CB TRP A 144 17.168 -1.277 -3.140 1.00 0.00 C ATOM 2158 CG TRP A 144 16.776 0.132 -2.777 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.469 0.976 -1.972 1.00 0.00 C ATOM 2160 CD2 TRP A 144 15.629 0.910 -3.250 1.00 0.00 C ATOM 2161 NE1 TRP A 144 16.824 2.194 -1.885 1.00 0.00 N ATOM 2162 CE2 TRP A 144 15.681 2.206 -2.650 1.00 0.00 C ATOM 2163 CE3 TRP A 144 14.551 0.659 -4.128 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 14.715 3.191 -2.889 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 13.572 1.645 -4.375 1.00 0.00 C ATOM 2166 CH2 TRP A 144 13.656 2.906 -3.760 1.00 0.00 C ATOM 0 H TRP A 144 17.703 -3.619 -3.564 1.00 0.00 H new ATOM 0 HA TRP A 144 17.257 -2.214 -1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.252 -1.309 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 144 16.740 -1.507 -4.115 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.393 0.730 -1.471 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.152 2.982 -1.326 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.475 -0.301 -4.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 14.785 4.156 -2.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 12.751 1.429 -5.042 1.00 0.00 H new ATOM 0 HH2 TRP A 144 12.904 3.655 -3.959 1.00 0.00 H new ATOM 2177 N GLY A 145 14.427 -2.845 -2.799 1.00 0.00 N ATOM 2178 CA GLY A 145 12.973 -2.992 -2.668 1.00 0.00 C ATOM 2179 C GLY A 145 12.482 -3.727 -1.407 1.00 0.00 C ATOM 2180 O GLY A 145 11.391 -3.420 -0.927 1.00 0.00 O ATOM 0 H GLY A 145 14.769 -3.148 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.524 -1.999 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.601 -3.524 -3.543 1.00 0.00 H new ATOM 2184 N THR A 146 13.269 -4.637 -0.815 1.00 0.00 N ATOM 2185 CA THR A 146 12.888 -5.351 0.426 1.00 0.00 C ATOM 2186 C THR A 146 12.883 -4.462 1.682 1.00 0.00 C ATOM 2187 O THR A 146 12.316 -4.847 2.709 1.00 0.00 O ATOM 2188 CB THR A 146 13.786 -6.568 0.713 1.00 0.00 C ATOM 2189 OG1 THR A 146 15.112 -6.190 1.000 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.821 -7.568 -0.441 1.00 0.00 C ATOM 0 H THR A 146 14.185 -4.902 -1.176 1.00 0.00 H new ATOM 0 HA THR A 146 11.868 -5.679 0.225 1.00 0.00 H new ATOM 0 HB THR A 146 13.336 -7.045 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.423 -5.551 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.470 -8.403 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.814 -7.938 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 146 14.204 -7.078 -1.336 1.00 0.00 H new ATOM 2198 N LEU A 147 13.505 -3.282 1.610 1.00 0.00 N ATOM 2199 CA LEU A 147 13.767 -2.389 2.744 1.00 0.00 C ATOM 2200 C LEU A 147 12.744 -1.241 2.862 1.00 0.00 C ATOM 2201 O LEU A 147 12.636 -0.593 3.905 1.00 0.00 O ATOM 2202 CB LEU A 147 15.187 -1.824 2.579 1.00 0.00 C ATOM 2203 CG LEU A 147 16.302 -2.886 2.421 1.00 0.00 C ATOM 2204 CD1 LEU A 147 17.649 -2.207 2.192 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.429 -3.781 3.657 1.00 0.00 C ATOM 0 H LEU A 147 13.853 -2.908 0.727 1.00 0.00 H new ATOM 0 HA LEU A 147 13.673 -2.965 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.202 -1.171 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 147 15.417 -1.204 3.445 1.00 0.00 H new ATOM 0 HG LEU A 147 16.025 -3.502 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.425 -2.965 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 147 17.602 -1.602 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 147 17.884 -1.568 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.224 -4.510 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 147 16.666 -3.169 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.487 -4.303 3.827 1.00 0.00 H new ATOM 2217 N LEU A 148 11.990 -1.009 1.788 1.00 0.00 N ATOM 2218 CA LEU A 148 10.844 -0.099 1.687 1.00 0.00 C ATOM 2219 C LEU A 148 9.710 -0.495 2.661 1.00 0.00 C ATOM 2220 O LEU A 148 9.602 -1.653 3.086 1.00 0.00 O ATOM 2221 CB LEU A 148 10.349 -0.139 0.226 1.00 0.00 C ATOM 2222 CG LEU A 148 11.196 0.594 -0.840 1.00 0.00 C ATOM 2223 CD1 LEU A 148 11.020 2.104 -0.733 1.00 0.00 C ATOM 2224 CD2 LEU A 148 12.693 0.325 -0.789 1.00 0.00 C ATOM 0 H LEU A 148 12.174 -1.483 0.904 1.00 0.00 H new ATOM 0 HA LEU A 148 11.149 0.910 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.267 -1.184 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.343 0.280 0.201 1.00 0.00 H new ATOM 0 HG LEU A 148 10.817 0.191 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.626 2.596 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 148 9.971 2.360 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 148 11.337 2.438 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 148 13.191 0.888 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 148 13.085 0.634 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 148 12.876 -0.740 -0.931 1.00 0.00 H new ATOM 2236 N SER A 149 8.853 0.481 2.991 1.00 0.00 N ATOM 2237 CA SER A 149 7.632 0.295 3.802 1.00 0.00 C ATOM 2238 C SER A 149 6.676 -0.767 3.237 1.00 0.00 C ATOM 2239 O SER A 149 6.585 -0.923 1.998 1.00 0.00 O ATOM 2240 CB SER A 149 6.880 1.616 3.967 1.00 0.00 C ATOM 2241 OG SER A 149 7.645 2.510 4.760 1.00 0.00 O ATOM 2242 OXT SER A 149 5.973 -1.422 4.040 1.00 0.00 O1- ATOM 0 H SER A 149 8.989 1.448 2.696 1.00 0.00 H new ATOM 0 HA SER A 149 7.977 -0.063 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.685 2.058 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.912 1.438 4.435 1.00 0.00 H new ATOM 0 HG SER A 149 8.498 2.695 4.314 1.00 0.00 H new