USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 Single : X 1 MET CE :methyl -143:sc= -0.186 (180deg=-1.31!) USER MOD Single : X 1 MET N :NH3+ -164:sc= -0.0235 (180deg=-0.349) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 6 SER OG : rot 180:sc= -0.0269 USER MOD Single : X 7 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.43) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : X 16 LYS NZ :NH3+ 162:sc= -3.11! (180deg=-3.7!) USER MOD Single : X 17 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.65) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -11:sc= 0.41 USER MOD Single : X 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0947) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 150:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.191) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= 0 USER MOD Single : X 42 CYS SG : rot 75:sc= -8.48! USER MOD Single : X 47 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 86:sc= 1.08 USER MOD Single : X 64 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.9!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -0.634! C(o=-0.63!,f=-2.9!) USER MOD Single : X 69 THR OG1 : rot 118:sc= 1.1 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.528 USER MOD Single : X 81 SER OG : rot -14:sc= 0.34 USER MOD Single : X 82 TYR OH : rot 180:sc= -2.38! USER MOD Single : X 84 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.19) USER MOD Single : X 87 LYS NZ :NH3+ -157:sc= 0.014 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ -124:sc= -0.462! (180deg=-3.22!) USER MOD Single : X 96 ASN : amide:sc= -2.68! K(o=-2.7!,f=-2.1) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 100 MET CE :methyl 150:sc= -0.2 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 60.721 -1.856 -13.256 1.00 1.00 N ATOM 2 CA MET X 1 60.841 -2.217 -11.817 1.00 1.00 C ATOM 3 C MET X 1 62.073 -1.551 -11.226 1.00 1.00 C ATOM 4 O MET X 1 63.177 -2.090 -11.297 1.00 1.00 O ATOM 5 CB MET X 1 60.950 -3.742 -11.684 1.00 1.00 C ATOM 6 CG MET X 1 59.657 -4.407 -12.174 1.00 1.00 C ATOM 7 SD MET X 1 58.242 -3.811 -11.210 1.00 1.00 S ATOM 8 CE MET X 1 58.763 -4.471 -9.609 1.00 1.00 C ATOM 0 H1 MET X 1 59.761 -2.075 -13.590 1.00 1.00 H new ATOM 0 H2 MET X 1 60.905 -0.839 -13.375 1.00 1.00 H new ATOM 0 H3 MET X 1 61.413 -2.401 -13.809 1.00 1.00 H new ATOM 0 HA MET X 1 59.960 -1.872 -11.276 1.00 1.00 H new ATOM 0 HB2 MET X 1 61.798 -4.106 -12.264 1.00 1.00 H new ATOM 0 HB3 MET X 1 61.136 -4.012 -10.644 1.00 1.00 H new ATOM 0 HG2 MET X 1 59.505 -4.188 -13.231 1.00 1.00 H new ATOM 0 HG3 MET X 1 59.739 -5.490 -12.082 1.00 1.00 H new ATOM 0 HE1 MET X 1 57.890 -4.820 -9.058 1.00 1.00 H new ATOM 0 HE2 MET X 1 59.450 -5.303 -9.765 1.00 1.00 H new ATOM 0 HE3 MET X 1 59.263 -3.689 -9.038 1.00 1.00 H new ATOM 20 N GLY X 2 61.874 -0.378 -10.635 1.00 1.00 N ATOM 21 CA GLY X 2 62.974 0.356 -10.028 1.00 1.00 C ATOM 22 C GLY X 2 63.533 -0.397 -8.826 1.00 1.00 C ATOM 23 O GLY X 2 64.738 -0.386 -8.578 1.00 1.00 O ATOM 0 H GLY X 2 60.966 0.081 -10.564 1.00 1.00 H new ATOM 0 HA2 GLY X 2 63.763 0.511 -10.764 1.00 1.00 H new ATOM 0 HA3 GLY X 2 62.630 1.342 -9.717 1.00 1.00 H new ATOM 27 N GLN X 3 62.647 -1.045 -8.076 1.00 1.00 N ATOM 28 CA GLN X 3 63.064 -1.795 -6.897 1.00 1.00 C ATOM 29 C GLN X 3 63.960 -2.961 -7.291 1.00 1.00 C ATOM 30 O GLN X 3 64.980 -3.219 -6.652 1.00 1.00 O ATOM 31 CB GLN X 3 61.833 -2.317 -6.152 1.00 1.00 C ATOM 32 CG GLN X 3 61.032 -1.137 -5.595 1.00 1.00 C ATOM 33 CD GLN X 3 59.730 -1.638 -4.976 1.00 1.00 C ATOM 34 OE1 GLN X 3 59.464 -2.839 -4.976 1.00 1.00 O ATOM 35 NE2 GLN X 3 58.898 -0.782 -4.446 1.00 1.00 N ATOM 0 H GLN X 3 61.644 -1.066 -8.262 1.00 1.00 H new ATOM 0 HA GLN X 3 63.628 -1.129 -6.244 1.00 1.00 H new ATOM 0 HB2 GLN X 3 61.211 -2.907 -6.825 1.00 1.00 H new ATOM 0 HB3 GLN X 3 62.139 -2.977 -5.341 1.00 1.00 H new ATOM 0 HG2 GLN X 3 61.621 -0.608 -4.846 1.00 1.00 H new ATOM 0 HG3 GLN X 3 60.816 -0.425 -6.391 1.00 1.00 H new ATOM 0 HE21 GLN X 3 59.121 0.213 -4.447 1.00 1.00 H new ATOM 0 HE22 GLN X 3 58.026 -1.109 -4.031 1.00 1.00 H new ATOM 44 N GLU X 4 63.574 -3.660 -8.349 1.00 1.00 N ATOM 45 CA GLU X 4 64.351 -4.800 -8.828 1.00 1.00 C ATOM 46 C GLU X 4 65.673 -4.335 -9.426 1.00 1.00 C ATOM 47 O GLU X 4 66.718 -4.939 -9.182 1.00 1.00 O ATOM 48 CB GLU X 4 63.555 -5.569 -9.885 1.00 1.00 C ATOM 49 CG GLU X 4 62.284 -6.140 -9.253 1.00 1.00 C ATOM 50 CD GLU X 4 62.643 -7.211 -8.228 1.00 1.00 C ATOM 51 OE1 GLU X 4 63.739 -7.741 -8.314 1.00 1.00 O ATOM 52 OE2 GLU X 4 61.818 -7.485 -7.373 1.00 1.00 O ATOM 0 H GLU X 4 62.733 -3.461 -8.891 1.00 1.00 H new ATOM 0 HA GLU X 4 64.558 -5.454 -7.981 1.00 1.00 H new ATOM 0 HB2 GLU X 4 63.297 -4.908 -10.713 1.00 1.00 H new ATOM 0 HB3 GLU X 4 64.162 -6.375 -10.298 1.00 1.00 H new ATOM 0 HG2 GLU X 4 61.717 -5.342 -8.773 1.00 1.00 H new ATOM 0 HG3 GLU X 4 61.644 -6.565 -10.026 1.00 1.00 H new ATOM 59 N LEU X 5 65.616 -3.261 -10.210 1.00 1.00 N ATOM 60 CA LEU X 5 66.815 -2.720 -10.840 1.00 1.00 C ATOM 61 C LEU X 5 67.014 -1.259 -10.449 1.00 1.00 C ATOM 62 O LEU X 5 66.085 -0.456 -10.519 1.00 1.00 O ATOM 63 CB LEU X 5 66.701 -2.834 -12.364 1.00 1.00 C ATOM 64 CG LEU X 5 68.034 -2.438 -13.011 1.00 1.00 C ATOM 65 CD1 LEU X 5 69.117 -3.458 -12.640 1.00 1.00 C ATOM 66 CD2 LEU X 5 67.871 -2.396 -14.530 1.00 1.00 C ATOM 0 H LEU X 5 64.758 -2.752 -10.423 1.00 1.00 H new ATOM 0 HA LEU X 5 67.675 -3.295 -10.496 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.438 -3.854 -12.644 1.00 1.00 H new ATOM 0 HB3 LEU X 5 65.902 -2.188 -12.728 1.00 1.00 H new ATOM 0 HG LEU X 5 68.330 -1.454 -12.648 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.061 -3.171 -13.103 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.237 -3.484 -11.557 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.824 -4.446 -12.996 1.00 1.00 H new ATOM 0 HD21 LEU X 5 68.818 -2.115 -14.990 1.00 1.00 H new ATOM 0 HD22 LEU X 5 67.570 -3.380 -14.891 1.00 1.00 H new ATOM 0 HD23 LEU X 5 67.108 -1.664 -14.794 1.00 1.00 H new ATOM 78 N SER X 6 68.233 -0.923 -10.038 1.00 1.00 N ATOM 79 CA SER X 6 68.543 0.445 -9.640 1.00 1.00 C ATOM 80 C SER X 6 69.958 0.820 -10.071 1.00 1.00 C ATOM 81 O SER X 6 70.769 -0.046 -10.401 1.00 1.00 O ATOM 82 CB SER X 6 68.413 0.587 -8.124 1.00 1.00 C ATOM 83 OG SER X 6 69.212 -0.404 -7.490 1.00 1.00 O ATOM 0 H SER X 6 69.016 -1.573 -9.972 1.00 1.00 H new ATOM 0 HA SER X 6 67.838 1.117 -10.129 1.00 1.00 H new ATOM 0 HB2 SER X 6 68.731 1.582 -7.812 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.371 0.477 -7.825 1.00 1.00 H new ATOM 0 HG SER X 6 69.133 -0.315 -6.517 1.00 1.00 H new ATOM 89 N GLN X 7 70.246 2.115 -10.070 1.00 1.00 N ATOM 90 CA GLN X 7 71.563 2.600 -10.466 1.00 1.00 C ATOM 91 C GLN X 7 72.634 2.104 -9.500 1.00 1.00 C ATOM 92 O GLN X 7 73.800 1.964 -9.869 1.00 1.00 O ATOM 93 CB GLN X 7 71.570 4.130 -10.506 1.00 1.00 C ATOM 94 CG GLN X 7 70.556 4.620 -11.543 1.00 1.00 C ATOM 95 CD GLN X 7 70.989 4.197 -12.943 1.00 1.00 C ATOM 96 OE1 GLN X 7 72.143 4.398 -13.323 1.00 1.00 O ATOM 97 NE2 GLN X 7 70.129 3.619 -13.737 1.00 1.00 N ATOM 0 H GLN X 7 69.588 2.847 -9.801 1.00 1.00 H new ATOM 0 HA GLN X 7 71.785 2.213 -11.461 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.323 4.531 -9.523 1.00 1.00 H new ATOM 0 HB3 GLN X 7 72.567 4.493 -10.757 1.00 1.00 H new ATOM 0 HG2 GLN X 7 69.570 4.211 -11.320 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.470 5.705 -11.493 1.00 1.00 H new ATOM 0 HE21 GLN X 7 69.174 3.453 -13.420 1.00 1.00 H new ATOM 0 HE22 GLN X 7 70.412 3.333 -14.674 1.00 1.00 H new ATOM 106 N HIS X 8 72.232 1.838 -8.262 1.00 1.00 N ATOM 107 CA HIS X 8 73.166 1.357 -7.252 1.00 1.00 C ATOM 108 C HIS X 8 73.714 -0.011 -7.641 1.00 1.00 C ATOM 109 O HIS X 8 74.876 -0.322 -7.381 1.00 1.00 O ATOM 110 CB HIS X 8 72.471 1.266 -5.892 1.00 1.00 C ATOM 111 CG HIS X 8 72.294 2.646 -5.324 1.00 1.00 C ATOM 112 ND1 HIS X 8 71.258 3.480 -5.713 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.015 3.354 -4.393 1.00 1.00 C ATOM 114 CE1 HIS X 8 71.381 4.630 -5.025 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.435 4.606 -4.206 1.00 1.00 N ATOM 0 H HIS X 8 71.272 1.947 -7.936 1.00 1.00 H new ATOM 0 HA HIS X 8 73.994 2.063 -7.185 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.502 0.779 -5.999 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.062 0.654 -5.210 1.00 1.00 H new ATOM 0 HD2 HIS X 8 73.897 2.994 -3.884 1.00 1.00 H new ATOM 0 HE1 HIS X 8 70.709 5.470 -5.123 1.00 1.00 H new ATOM 0 HE2 HIS X 8 72.748 5.346 -3.578 1.00 1.00 H new ATOM 123 N GLU X 9 72.872 -0.822 -8.273 1.00 1.00 N ATOM 124 CA GLU X 9 73.285 -2.151 -8.703 1.00 1.00 C ATOM 125 C GLU X 9 74.338 -2.047 -9.805 1.00 1.00 C ATOM 126 O GLU X 9 75.268 -2.844 -9.867 1.00 1.00 O ATOM 127 CB GLU X 9 72.076 -2.931 -9.222 1.00 1.00 C ATOM 128 CG GLU X 9 71.128 -3.238 -8.063 1.00 1.00 C ATOM 129 CD GLU X 9 69.875 -3.936 -8.583 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.867 -4.306 -9.745 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.942 -4.087 -7.810 1.00 1.00 O ATOM 0 H GLU X 9 71.906 -0.584 -8.497 1.00 1.00 H new ATOM 0 HA GLU X 9 73.714 -2.676 -7.849 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.557 -2.352 -9.986 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.403 -3.858 -9.693 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.629 -3.871 -7.331 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.854 -2.315 -7.552 1.00 1.00 H new ATOM 138 N ARG X 10 74.181 -1.063 -10.680 1.00 1.00 N ATOM 139 CA ARG X 10 75.129 -0.871 -11.767 1.00 1.00 C ATOM 140 C ARG X 10 76.467 -0.380 -11.218 1.00 1.00 C ATOM 141 O ARG X 10 77.523 -0.816 -11.661 1.00 1.00 O ATOM 142 CB ARG X 10 74.580 0.156 -12.758 1.00 1.00 C ATOM 143 CG ARG X 10 73.312 -0.396 -13.409 1.00 1.00 C ATOM 144 CD ARG X 10 72.774 0.614 -14.425 1.00 1.00 C ATOM 145 NE ARG X 10 71.531 0.126 -15.013 1.00 1.00 N ATOM 146 CZ ARG X 10 71.537 -0.640 -16.100 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.668 -0.972 -16.658 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.410 -1.059 -16.606 1.00 1.00 N ATOM 0 H ARG X 10 73.414 -0.391 -10.659 1.00 1.00 H new ATOM 0 HA ARG X 10 75.278 -1.824 -12.274 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.361 1.092 -12.245 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.327 0.378 -13.520 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.528 -1.344 -13.903 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.558 -0.597 -12.648 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.602 1.574 -13.938 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.514 0.782 -15.208 1.00 1.00 H new ATOM 0 HE ARG X 10 70.641 0.377 -14.582 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.548 -0.644 -16.261 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.672 -1.560 -17.492 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.526 -0.799 -16.168 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.412 -1.647 -17.440 1.00 1.00 H new ATOM 162 N TYR X 11 76.409 0.533 -10.253 1.00 1.00 N ATOM 163 CA TYR X 11 77.628 1.080 -9.665 1.00 1.00 C ATOM 164 C TYR X 11 78.464 -0.022 -9.016 1.00 1.00 C ATOM 165 O TYR X 11 79.650 -0.173 -9.309 1.00 1.00 O ATOM 166 CB TYR X 11 77.265 2.126 -8.606 1.00 1.00 C ATOM 167 CG TYR X 11 78.525 2.647 -7.957 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.291 3.624 -8.606 1.00 1.00 C ATOM 169 CD2 TYR X 11 78.929 2.155 -6.711 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.460 4.108 -8.007 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.098 2.640 -6.111 1.00 1.00 C ATOM 172 CZ TYR X 11 80.863 3.616 -6.760 1.00 1.00 C ATOM 173 OH TYR X 11 82.016 4.093 -6.170 1.00 1.00 O ATOM 0 H TYR X 11 75.543 0.906 -9.865 1.00 1.00 H new ATOM 0 HA TYR X 11 78.213 1.541 -10.461 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.714 2.947 -9.065 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.612 1.685 -7.853 1.00 1.00 H new ATOM 0 HD1 TYR X 11 78.980 4.004 -9.568 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.339 1.401 -6.212 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.051 4.861 -8.507 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.409 2.261 -5.149 1.00 1.00 H new ATOM 0 HH TYR X 11 82.150 3.648 -5.307 1.00 1.00 H new ATOM 183 N VAL X 12 77.834 -0.789 -8.136 1.00 1.00 N ATOM 184 CA VAL X 12 78.526 -1.872 -7.447 1.00 1.00 C ATOM 185 C VAL X 12 78.993 -2.930 -8.441 1.00 1.00 C ATOM 186 O VAL X 12 80.024 -3.572 -8.240 1.00 1.00 O ATOM 187 CB VAL X 12 77.603 -2.506 -6.399 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.776 -3.614 -7.042 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.446 -3.093 -5.270 1.00 1.00 C ATOM 0 H VAL X 12 76.852 -0.683 -7.883 1.00 1.00 H new ATOM 0 HA VAL X 12 79.401 -1.458 -6.946 1.00 1.00 H new ATOM 0 HB VAL X 12 76.934 -1.743 -6.000 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.122 -4.061 -6.293 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.173 -3.197 -7.848 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.441 -4.378 -7.445 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.792 -3.544 -4.524 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.115 -3.853 -5.673 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.034 -2.301 -4.806 1.00 1.00 H new ATOM 199 N GLU X 13 78.224 -3.115 -9.511 1.00 1.00 N ATOM 200 CA GLU X 13 78.561 -4.095 -10.525 1.00 1.00 C ATOM 201 C GLU X 13 79.836 -3.689 -11.253 1.00 1.00 C ATOM 202 O GLU X 13 80.675 -4.530 -11.580 1.00 1.00 O ATOM 203 CB GLU X 13 77.408 -4.220 -11.524 1.00 1.00 C ATOM 204 CG GLU X 13 77.758 -5.274 -12.567 1.00 1.00 C ATOM 205 CD GLU X 13 76.576 -5.504 -13.504 1.00 1.00 C ATOM 206 OE1 GLU X 13 75.476 -5.126 -13.134 1.00 1.00 O ATOM 207 OE2 GLU X 13 76.786 -6.056 -14.571 1.00 1.00 O ATOM 0 H GLU X 13 77.365 -2.596 -9.693 1.00 1.00 H new ATOM 0 HA GLU X 13 78.727 -5.058 -10.043 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.490 -4.496 -11.005 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.225 -3.260 -12.007 1.00 1.00 H new ATOM 0 HG2 GLU X 13 78.628 -4.954 -13.140 1.00 1.00 H new ATOM 0 HG3 GLU X 13 78.027 -6.208 -12.074 1.00 1.00 H new ATOM 214 N GLN X 14 79.976 -2.393 -11.498 1.00 1.00 N ATOM 215 CA GLN X 14 81.162 -1.886 -12.187 1.00 1.00 C ATOM 216 C GLN X 14 82.412 -2.136 -11.354 1.00 1.00 C ATOM 217 O GLN X 14 83.475 -2.470 -11.888 1.00 1.00 O ATOM 218 CB GLN X 14 81.015 -0.386 -12.459 1.00 1.00 C ATOM 219 CG GLN X 14 80.010 -0.164 -13.594 1.00 1.00 C ATOM 220 CD GLN X 14 79.778 1.329 -13.803 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.353 2.028 -12.884 1.00 1.00 O ATOM 222 NE2 GLN X 14 80.036 1.860 -14.966 1.00 1.00 N ATOM 0 H GLN X 14 79.295 -1.680 -11.236 1.00 1.00 H new ATOM 0 HA GLN X 14 81.259 -2.415 -13.135 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.679 0.126 -11.557 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.981 0.041 -12.727 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.383 -0.614 -14.514 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.067 -0.657 -13.357 1.00 1.00 H new ATOM 0 HE21 GLN X 14 80.388 1.278 -15.726 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.886 2.858 -15.116 1.00 1.00 H new ATOM 231 N LEU X 15 82.277 -1.980 -10.043 1.00 1.00 N ATOM 232 CA LEU X 15 83.398 -2.199 -9.144 1.00 1.00 C ATOM 233 C LEU X 15 83.847 -3.645 -9.213 1.00 1.00 C ATOM 234 O LEU X 15 85.033 -3.921 -9.230 1.00 1.00 O ATOM 235 CB LEU X 15 82.999 -1.855 -7.704 1.00 1.00 C ATOM 236 CG LEU X 15 82.755 -0.345 -7.589 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.249 -0.014 -6.186 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.062 0.416 -7.844 1.00 1.00 C ATOM 0 H LEU X 15 81.409 -1.705 -9.583 1.00 1.00 H new ATOM 0 HA LEU X 15 84.220 -1.552 -9.451 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.099 -2.402 -7.424 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.786 -2.161 -7.014 1.00 1.00 H new ATOM 0 HG LEU X 15 82.012 -0.048 -8.329 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.076 1.059 -6.105 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.316 -0.547 -6.000 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.993 -0.318 -5.450 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.881 1.488 -7.761 1.00 1.00 H new ATOM 0 HD22 LEU X 15 84.808 0.115 -7.108 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.427 0.186 -8.845 1.00 1.00 H new ATOM 250 N LYS X 16 82.895 -4.560 -9.254 1.00 1.00 N ATOM 251 CA LYS X 16 83.231 -5.969 -9.312 1.00 1.00 C ATOM 252 C LYS X 16 84.112 -6.271 -10.510 1.00 1.00 C ATOM 253 O LYS X 16 85.127 -6.917 -10.376 1.00 1.00 O ATOM 254 CB LYS X 16 81.951 -6.797 -9.436 1.00 1.00 C ATOM 255 CG LYS X 16 81.337 -7.016 -8.058 1.00 1.00 C ATOM 256 CD LYS X 16 80.024 -7.786 -8.193 1.00 1.00 C ATOM 257 CE LYS X 16 79.346 -7.878 -6.827 1.00 1.00 C ATOM 258 NZ LYS X 16 80.275 -8.500 -5.849 1.00 1.00 N ATOM 0 H LYS X 16 81.896 -4.356 -9.248 1.00 1.00 H new ATOM 0 HA LYS X 16 83.768 -6.224 -8.398 1.00 1.00 H new ATOM 0 HB2 LYS X 16 81.239 -6.286 -10.084 1.00 1.00 H new ATOM 0 HB3 LYS X 16 82.173 -7.757 -9.901 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.030 -7.569 -7.425 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.158 -6.057 -7.573 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.367 -7.285 -8.904 1.00 1.00 H new ATOM 0 HD3 LYS X 16 80.214 -8.785 -8.585 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.056 -6.884 -6.486 1.00 1.00 H new ATOM 0 HE3 LYS X 16 78.433 -8.468 -6.902 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.952 -8.292 -4.883 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 80.293 -9.530 -5.994 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 81.231 -8.115 -5.985 1.00 1.00 H new ATOM 272 N GLN X 17 83.722 -5.812 -11.681 1.00 1.00 N ATOM 273 CA GLN X 17 84.506 -6.094 -12.878 1.00 1.00 C ATOM 274 C GLN X 17 85.968 -5.674 -12.713 1.00 1.00 C ATOM 275 O GLN X 17 86.893 -6.463 -12.955 1.00 1.00 O ATOM 276 CB GLN X 17 83.902 -5.345 -14.070 1.00 1.00 C ATOM 277 CG GLN X 17 82.479 -5.847 -14.325 1.00 1.00 C ATOM 278 CD GLN X 17 82.514 -7.281 -14.835 1.00 1.00 C ATOM 279 OE1 GLN X 17 83.322 -7.610 -15.704 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.681 -8.160 -14.349 1.00 1.00 N ATOM 0 H GLN X 17 82.884 -5.252 -11.835 1.00 1.00 H new ATOM 0 HA GLN X 17 84.479 -7.170 -13.047 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.890 -4.273 -13.871 1.00 1.00 H new ATOM 0 HB3 GLN X 17 84.517 -5.497 -14.957 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.896 -5.794 -13.406 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.984 -5.205 -15.054 1.00 1.00 H new ATOM 0 HE21 GLN X 17 81.012 -7.886 -13.629 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.698 -9.122 -14.689 1.00 1.00 H new ATOM 289 N ALA X 18 86.171 -4.421 -12.325 1.00 1.00 N ATOM 290 CA ALA X 18 87.522 -3.900 -12.167 1.00 1.00 C ATOM 291 C ALA X 18 88.253 -4.555 -10.999 1.00 1.00 C ATOM 292 O ALA X 18 89.381 -5.033 -11.147 1.00 1.00 O ATOM 293 CB ALA X 18 87.467 -2.390 -11.945 1.00 1.00 C ATOM 0 H ALA X 18 85.428 -3.754 -12.116 1.00 1.00 H new ATOM 0 HA ALA X 18 88.073 -4.129 -13.079 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.479 -2.002 -11.827 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.994 -1.913 -12.803 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.889 -2.175 -11.046 1.00 1.00 H new ATOM 299 N LEU X 19 87.621 -4.551 -9.832 1.00 1.00 N ATOM 300 CA LEU X 19 88.233 -5.125 -8.636 1.00 1.00 C ATOM 301 C LEU X 19 88.414 -6.627 -8.775 1.00 1.00 C ATOM 302 O LEU X 19 89.366 -7.200 -8.254 1.00 1.00 O ATOM 303 CB LEU X 19 87.374 -4.807 -7.416 1.00 1.00 C ATOM 304 CG LEU X 19 87.689 -3.391 -6.913 1.00 1.00 C ATOM 305 CD1 LEU X 19 87.654 -2.397 -8.078 1.00 1.00 C ATOM 306 CD2 LEU X 19 86.647 -2.972 -5.875 1.00 1.00 C ATOM 0 H LEU X 19 86.690 -4.160 -9.686 1.00 1.00 H new ATOM 0 HA LEU X 19 89.221 -4.682 -8.510 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.318 -4.885 -7.673 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.564 -5.534 -6.626 1.00 1.00 H new ATOM 0 HG LEU X 19 88.683 -3.392 -6.466 1.00 1.00 H new ATOM 0 HD11 LEU X 19 87.879 -1.396 -7.709 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.395 -2.684 -8.824 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.663 -2.402 -8.531 1.00 1.00 H new ATOM 0 HD21 LEU X 19 86.872 -1.967 -5.519 1.00 1.00 H new ATOM 0 HD22 LEU X 19 85.656 -2.983 -6.329 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.669 -3.667 -5.036 1.00 1.00 H new ATOM 318 N LYS X 20 87.488 -7.263 -9.466 1.00 1.00 N ATOM 319 CA LYS X 20 87.547 -8.708 -9.657 1.00 1.00 C ATOM 320 C LYS X 20 88.828 -9.106 -10.369 1.00 1.00 C ATOM 321 O LYS X 20 89.418 -10.145 -10.068 1.00 1.00 O ATOM 322 CB LYS X 20 86.336 -9.197 -10.454 1.00 1.00 C ATOM 323 CG LYS X 20 86.426 -10.698 -10.676 1.00 1.00 C ATOM 324 CD LYS X 20 85.134 -11.191 -11.332 1.00 1.00 C ATOM 325 CE LYS X 20 85.218 -12.703 -11.540 1.00 1.00 C ATOM 326 NZ LYS X 20 83.913 -13.208 -12.050 1.00 1.00 N ATOM 0 H LYS X 20 86.687 -6.809 -9.905 1.00 1.00 H new ATOM 0 HA LYS X 20 87.534 -9.177 -8.673 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.418 -8.955 -9.919 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.291 -8.682 -11.414 1.00 1.00 H new ATOM 0 HG2 LYS X 20 87.281 -10.933 -11.309 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.583 -11.209 -9.726 1.00 1.00 H new ATOM 0 HD2 LYS X 20 84.277 -10.946 -10.704 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.983 -10.689 -12.288 1.00 1.00 H new ATOM 0 HE2 LYS X 20 86.013 -12.940 -12.247 1.00 1.00 H new ATOM 0 HE3 LYS X 20 85.469 -13.196 -10.601 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.970 -14.237 -12.192 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 83.165 -12.994 -11.360 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.692 -12.746 -12.955 1.00 1.00 H new ATOM 340 N THR X 21 89.247 -8.279 -11.317 1.00 1.00 N ATOM 341 CA THR X 21 90.465 -8.557 -12.070 1.00 1.00 C ATOM 342 C THR X 21 91.697 -8.395 -11.184 1.00 1.00 C ATOM 343 O THR X 21 92.807 -8.759 -11.574 1.00 1.00 O ATOM 344 CB THR X 21 90.562 -7.621 -13.273 1.00 1.00 C ATOM 345 OG1 THR X 21 90.514 -6.275 -12.824 1.00 1.00 O ATOM 346 CG2 THR X 21 89.393 -7.890 -14.222 1.00 1.00 C ATOM 0 H THR X 21 88.768 -7.418 -11.582 1.00 1.00 H new ATOM 0 HA THR X 21 90.424 -9.588 -12.420 1.00 1.00 H new ATOM 0 HB THR X 21 91.500 -7.795 -13.800 1.00 1.00 H new ATOM 0 HG1 THR X 21 90.249 -6.254 -11.881 1.00 1.00 H new ATOM 0 HG21 THR X 21 89.461 -7.223 -15.081 1.00 1.00 H new ATOM 0 HG22 THR X 21 89.431 -8.925 -14.562 1.00 1.00 H new ATOM 0 HG23 THR X 21 88.453 -7.715 -13.700 1.00 1.00 H new ATOM 354 N ARG X 22 91.498 -7.830 -9.996 1.00 1.00 N ATOM 355 CA ARG X 22 92.597 -7.618 -9.068 1.00 1.00 C ATOM 356 C ARG X 22 92.685 -8.746 -8.054 1.00 1.00 C ATOM 357 O ARG X 22 93.632 -8.809 -7.274 1.00 1.00 O ATOM 358 CB ARG X 22 92.418 -6.280 -8.345 1.00 1.00 C ATOM 359 CG ARG X 22 93.013 -5.157 -9.191 1.00 1.00 C ATOM 360 CD ARG X 22 94.515 -5.046 -8.912 1.00 1.00 C ATOM 361 NE ARG X 22 95.090 -3.945 -9.673 1.00 1.00 N ATOM 362 CZ ARG X 22 95.595 -4.136 -10.888 1.00 1.00 C ATOM 363 NH1 ARG X 22 95.575 -5.328 -11.422 1.00 1.00 N ATOM 364 NH2 ARG X 22 96.108 -3.134 -11.548 1.00 1.00 N ATOM 0 H ARG X 22 90.589 -7.513 -9.658 1.00 1.00 H new ATOM 0 HA ARG X 22 93.525 -7.601 -9.639 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.360 -6.091 -8.165 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.906 -6.313 -7.371 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.843 -5.356 -10.249 1.00 1.00 H new ATOM 0 HG3 ARG X 22 92.519 -4.213 -8.960 1.00 1.00 H new ATOM 0 HD2 ARG X 22 94.683 -4.888 -7.847 1.00 1.00 H new ATOM 0 HD3 ARG X 22 95.011 -5.979 -9.178 1.00 1.00 H new ATOM 0 HE ARG X 22 95.105 -3.010 -9.266 1.00 1.00 H new ATOM 0 HH11 ARG X 22 95.172 -6.111 -10.907 1.00 1.00 H new ATOM 0 HH12 ARG X 22 95.962 -5.476 -12.354 1.00 1.00 H new ATOM 0 HH21 ARG X 22 96.122 -2.203 -11.132 1.00 1.00 H new ATOM 0 HH22 ARG X 22 96.495 -3.282 -12.480 1.00 1.00 H new ATOM 378 N GLY X 23 91.701 -9.636 -8.077 1.00 1.00 N ATOM 379 CA GLY X 23 91.684 -10.762 -7.149 1.00 1.00 C ATOM 380 C GLY X 23 90.567 -10.633 -6.128 1.00 1.00 C ATOM 381 O GLY X 23 90.654 -11.186 -5.031 1.00 1.00 O ATOM 0 H GLY X 23 90.911 -9.602 -8.721 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.562 -11.691 -7.706 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.643 -10.823 -6.634 1.00 1.00 H new ATOM 385 N VAL X 24 89.520 -9.900 -6.490 1.00 1.00 N ATOM 386 CA VAL X 24 88.390 -9.708 -5.585 1.00 1.00 C ATOM 387 C VAL X 24 87.219 -10.604 -5.985 1.00 1.00 C ATOM 388 O VAL X 24 86.832 -10.660 -7.148 1.00 1.00 O ATOM 389 CB VAL X 24 87.947 -8.246 -5.614 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.654 -8.088 -4.815 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.044 -7.371 -5.002 1.00 1.00 C ATOM 0 H VAL X 24 89.429 -9.433 -7.392 1.00 1.00 H new ATOM 0 HA VAL X 24 88.706 -9.975 -4.577 1.00 1.00 H new ATOM 0 HB VAL X 24 87.771 -7.937 -6.645 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.338 -7.045 -4.836 1.00 1.00 H new ATOM 0 HG12 VAL X 24 85.876 -8.711 -5.255 1.00 1.00 H new ATOM 0 HG13 VAL X 24 86.824 -8.395 -3.783 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.730 -6.327 -5.022 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.221 -7.677 -3.971 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.963 -7.484 -5.577 1.00 1.00 H new ATOM 401 N LYS X 25 86.662 -11.309 -5.012 1.00 1.00 N ATOM 402 CA LYS X 25 85.537 -12.198 -5.279 1.00 1.00 C ATOM 403 C LYS X 25 84.480 -12.073 -4.187 1.00 1.00 C ATOM 404 O LYS X 25 84.546 -12.757 -3.167 1.00 1.00 O ATOM 405 CB LYS X 25 86.023 -13.648 -5.357 1.00 1.00 C ATOM 406 CG LYS X 25 84.885 -14.543 -5.855 1.00 1.00 C ATOM 407 CD LYS X 25 85.401 -15.972 -6.034 1.00 1.00 C ATOM 408 CE LYS X 25 84.265 -16.865 -6.537 1.00 1.00 C ATOM 409 NZ LYS X 25 84.007 -16.576 -7.977 1.00 1.00 N ATOM 0 H LYS X 25 86.966 -11.285 -4.038 1.00 1.00 H new ATOM 0 HA LYS X 25 85.093 -11.911 -6.232 1.00 1.00 H new ATOM 0 HB2 LYS X 25 86.878 -13.720 -6.030 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.360 -13.983 -4.376 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.059 -14.530 -5.143 1.00 1.00 H new ATOM 0 HG3 LYS X 25 84.497 -14.164 -6.800 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.229 -15.985 -6.743 1.00 1.00 H new ATOM 0 HD3 LYS X 25 85.785 -16.353 -5.088 1.00 1.00 H new ATOM 0 HE2 LYS X 25 84.528 -17.915 -6.407 1.00 1.00 H new ATOM 0 HE3 LYS X 25 83.362 -16.688 -5.952 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 83.372 -17.301 -8.368 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 83.562 -15.640 -8.069 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 84.906 -16.585 -8.499 1.00 1.00 H new ATOM 423 N VAL X 26 83.503 -11.202 -4.415 1.00 1.00 N ATOM 424 CA VAL X 26 82.428 -10.999 -3.448 1.00 1.00 C ATOM 425 C VAL X 26 81.077 -10.940 -4.152 1.00 1.00 C ATOM 426 O VAL X 26 81.011 -10.738 -5.364 1.00 1.00 O ATOM 427 CB VAL X 26 82.656 -9.702 -2.670 1.00 1.00 C ATOM 428 CG1 VAL X 26 83.860 -9.866 -1.743 1.00 1.00 C ATOM 429 CG2 VAL X 26 82.924 -8.560 -3.651 1.00 1.00 C ATOM 0 H VAL X 26 83.432 -10.628 -5.255 1.00 1.00 H new ATOM 0 HA VAL X 26 82.429 -11.841 -2.755 1.00 1.00 H new ATOM 0 HB VAL X 26 81.769 -9.475 -2.078 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.021 -8.941 -1.189 1.00 1.00 H new ATOM 0 HG12 VAL X 26 83.672 -10.680 -1.043 1.00 1.00 H new ATOM 0 HG13 VAL X 26 84.746 -10.094 -2.335 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.087 -7.635 -3.097 1.00 1.00 H new ATOM 0 HG22 VAL X 26 83.810 -8.789 -4.243 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.066 -8.440 -4.313 1.00 1.00 H new ATOM 439 N LYS X 27 80.002 -11.134 -3.390 1.00 1.00 N ATOM 440 CA LYS X 27 78.660 -11.103 -3.957 1.00 1.00 C ATOM 441 C LYS X 27 78.123 -9.673 -3.972 1.00 1.00 C ATOM 442 O LYS X 27 78.637 -8.798 -3.278 1.00 1.00 O ATOM 443 CB LYS X 27 77.736 -11.988 -3.124 1.00 1.00 C ATOM 444 CG LYS X 27 78.288 -13.416 -3.102 1.00 1.00 C ATOM 445 CD LYS X 27 77.489 -14.252 -2.104 1.00 1.00 C ATOM 446 CE LYS X 27 78.090 -15.656 -2.023 1.00 1.00 C ATOM 447 NZ LYS X 27 77.092 -16.593 -1.427 1.00 1.00 N ATOM 0 H LYS X 27 80.036 -11.313 -2.386 1.00 1.00 H new ATOM 0 HA LYS X 27 78.700 -11.474 -4.981 1.00 1.00 H new ATOM 0 HB2 LYS X 27 77.660 -11.600 -2.108 1.00 1.00 H new ATOM 0 HB3 LYS X 27 76.730 -11.981 -3.544 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.225 -13.858 -4.096 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.342 -13.406 -2.824 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.506 -13.780 -1.122 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.445 -14.308 -2.413 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.377 -15.998 -3.017 1.00 1.00 H new ATOM 0 HE3 LYS X 27 78.996 -15.640 -1.418 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.501 -17.547 -1.372 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 76.839 -16.269 -0.471 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.239 -16.616 -2.022 1.00 1.00 H new ATOM 461 N TYR X 28 77.090 -9.444 -4.773 1.00 1.00 N ATOM 462 CA TYR X 28 76.491 -8.118 -4.877 1.00 1.00 C ATOM 463 C TYR X 28 75.960 -7.657 -3.528 1.00 1.00 C ATOM 464 O TYR X 28 76.089 -6.489 -3.170 1.00 1.00 O ATOM 465 CB TYR X 28 75.350 -8.139 -5.895 1.00 1.00 C ATOM 466 CG TYR X 28 75.913 -8.343 -7.280 1.00 1.00 C ATOM 467 CD1 TYR X 28 76.183 -9.637 -7.743 1.00 1.00 C ATOM 468 CD2 TYR X 28 76.165 -7.238 -8.103 1.00 1.00 C ATOM 469 CE1 TYR X 28 76.707 -9.825 -9.027 1.00 1.00 C ATOM 470 CE2 TYR X 28 76.688 -7.427 -9.387 1.00 1.00 C ATOM 471 CZ TYR X 28 76.959 -8.720 -9.849 1.00 1.00 C ATOM 472 OH TYR X 28 77.477 -8.906 -11.117 1.00 1.00 O ATOM 0 H TYR X 28 76.651 -10.155 -5.358 1.00 1.00 H new ATOM 0 HA TYR X 28 77.261 -7.421 -5.206 1.00 1.00 H new ATOM 0 HB2 TYR X 28 74.649 -8.938 -5.655 1.00 1.00 H new ATOM 0 HB3 TYR X 28 74.793 -7.203 -5.852 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.987 -10.489 -7.109 1.00 1.00 H new ATOM 0 HD2 TYR X 28 75.956 -6.240 -7.747 1.00 1.00 H new ATOM 0 HE1 TYR X 28 76.917 -10.822 -9.384 1.00 1.00 H new ATOM 0 HE2 TYR X 28 76.883 -6.575 -10.022 1.00 1.00 H new ATOM 0 HH TYR X 28 77.165 -8.188 -11.707 1.00 1.00 H new ATOM 482 N ALA X 29 75.358 -8.575 -2.788 1.00 1.00 N ATOM 483 CA ALA X 29 74.809 -8.246 -1.481 1.00 1.00 C ATOM 484 C ALA X 29 75.912 -7.777 -0.540 1.00 1.00 C ATOM 485 O ALA X 29 75.657 -7.019 0.383 1.00 1.00 O ATOM 486 CB ALA X 29 74.116 -9.472 -0.882 1.00 1.00 C ATOM 0 H ALA X 29 75.237 -9.548 -3.068 1.00 1.00 H new ATOM 0 HA ALA X 29 74.084 -7.442 -1.605 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.708 -9.218 0.096 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.308 -9.791 -1.540 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.838 -10.282 -0.774 1.00 1.00 H new ATOM 492 N ASP X 30 77.130 -8.258 -0.761 1.00 1.00 N ATOM 493 CA ASP X 30 78.247 -7.889 0.105 1.00 1.00 C ATOM 494 C ASP X 30 78.637 -6.426 -0.083 1.00 1.00 C ATOM 495 O ASP X 30 78.689 -5.658 0.876 1.00 1.00 O ATOM 496 CB ASP X 30 79.451 -8.778 -0.214 1.00 1.00 C ATOM 497 CG ASP X 30 80.602 -8.454 0.729 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.480 -7.500 1.478 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.589 -9.172 0.692 1.00 1.00 O ATOM 0 H ASP X 30 77.369 -8.895 -1.521 1.00 1.00 H new ATOM 0 HA ASP X 30 77.936 -8.029 1.140 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.174 -9.828 -0.116 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.763 -8.625 -1.247 1.00 1.00 H new ATOM 504 N LEU X 31 78.919 -6.051 -1.320 1.00 1.00 N ATOM 505 CA LEU X 31 79.308 -4.681 -1.619 1.00 1.00 C ATOM 506 C LEU X 31 78.114 -3.744 -1.610 1.00 1.00 C ATOM 507 O LEU X 31 78.194 -2.632 -1.091 1.00 1.00 O ATOM 508 CB LEU X 31 80.009 -4.618 -2.987 1.00 1.00 C ATOM 509 CG LEU X 31 81.357 -5.340 -2.926 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.002 -5.349 -4.311 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.283 -4.628 -1.937 1.00 1.00 C ATOM 0 H LEU X 31 78.887 -6.671 -2.129 1.00 1.00 H new ATOM 0 HA LEU X 31 79.996 -4.355 -0.839 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.378 -5.076 -3.748 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.158 -3.579 -3.279 1.00 1.00 H new ATOM 0 HG LEU X 31 81.196 -6.366 -2.595 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.961 -5.864 -4.262 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.348 -5.866 -5.014 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.157 -4.324 -4.647 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.241 -5.146 -1.898 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.440 -3.599 -2.262 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.828 -4.630 -0.946 1.00 1.00 H new ATOM 523 N LEU X 32 77.024 -4.184 -2.215 1.00 1.00 N ATOM 524 CA LEU X 32 75.834 -3.353 -2.302 1.00 1.00 C ATOM 525 C LEU X 32 75.351 -2.946 -0.909 1.00 1.00 C ATOM 526 O LEU X 32 75.112 -1.764 -0.642 1.00 1.00 O ATOM 527 CB LEU X 32 74.724 -4.130 -3.026 1.00 1.00 C ATOM 528 CG LEU X 32 73.520 -3.212 -3.264 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.914 -2.097 -4.237 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.367 -4.022 -3.855 1.00 1.00 C ATOM 0 H LEU X 32 76.937 -5.103 -2.650 1.00 1.00 H new ATOM 0 HA LEU X 32 76.079 -2.449 -2.859 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.095 -4.512 -3.977 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.424 -4.993 -2.431 1.00 1.00 H new ATOM 0 HG LEU X 32 73.205 -2.774 -2.317 1.00 1.00 H new ATOM 0 HD11 LEU X 32 73.058 -1.443 -4.407 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.735 -1.518 -3.814 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.230 -2.535 -5.184 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.512 -3.368 -4.024 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.679 -4.462 -4.802 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.086 -4.815 -3.162 1.00 1.00 H new ATOM 542 N LYS X 33 75.212 -3.926 -0.027 1.00 1.00 N ATOM 543 CA LYS X 33 74.756 -3.655 1.329 1.00 1.00 C ATOM 544 C LYS X 33 75.809 -2.868 2.096 1.00 1.00 C ATOM 545 O LYS X 33 75.486 -1.961 2.869 1.00 1.00 O ATOM 546 CB LYS X 33 74.457 -4.964 2.055 1.00 1.00 C ATOM 547 CG LYS X 33 73.330 -5.702 1.321 1.00 1.00 C ATOM 548 CD LYS X 33 73.107 -7.069 1.972 1.00 1.00 C ATOM 549 CE LYS X 33 72.059 -7.847 1.174 1.00 1.00 C ATOM 550 NZ LYS X 33 70.727 -7.203 1.341 1.00 1.00 N ATOM 0 H LYS X 33 75.407 -4.908 -0.223 1.00 1.00 H new ATOM 0 HA LYS X 33 73.844 -3.061 1.275 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.351 -5.586 2.092 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.166 -4.764 3.086 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.412 -5.115 1.358 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.587 -5.826 0.269 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.043 -7.626 2.004 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.776 -6.943 3.003 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.333 -7.870 0.119 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.020 -8.881 1.516 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 69.984 -7.849 1.005 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.569 -6.987 2.346 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.696 -6.322 0.789 1.00 1.00 H new ATOM 564 N PHE X 34 77.078 -3.230 1.891 1.00 1.00 N ATOM 565 CA PHE X 34 78.154 -2.564 2.582 1.00 1.00 C ATOM 566 C PHE X 34 78.200 -1.074 2.232 1.00 1.00 C ATOM 567 O PHE X 34 78.427 -0.214 3.091 1.00 1.00 O ATOM 568 CB PHE X 34 79.500 -3.225 2.247 1.00 1.00 C ATOM 569 CG PHE X 34 80.640 -2.450 2.900 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.422 -1.734 4.083 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.907 -2.451 2.305 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.473 -1.019 4.672 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.958 -1.737 2.894 1.00 1.00 C ATOM 574 CZ PHE X 34 82.740 -1.021 4.077 1.00 1.00 C ATOM 0 H PHE X 34 77.371 -3.974 1.257 1.00 1.00 H new ATOM 0 HA PHE X 34 77.969 -2.658 3.652 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.504 -4.257 2.597 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.641 -3.254 1.167 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.444 -1.733 4.541 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.074 -3.002 1.392 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.306 -0.466 5.585 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.936 -1.739 2.436 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.550 -0.470 4.531 1.00 1.00 H new ATOM 584 N PHE X 35 77.978 -0.776 0.957 1.00 1.00 N ATOM 585 CA PHE X 35 77.990 0.601 0.489 1.00 1.00 C ATOM 586 C PHE X 35 76.895 1.398 1.189 1.00 1.00 C ATOM 587 O PHE X 35 77.067 2.575 1.490 1.00 1.00 O ATOM 588 CB PHE X 35 77.774 0.646 -1.025 1.00 1.00 C ATOM 589 CG PHE X 35 79.109 0.763 -1.725 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.897 1.905 -1.538 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.558 -0.268 -2.558 1.00 1.00 C ATOM 592 CE1 PHE X 35 81.133 2.016 -2.185 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.795 -0.159 -3.205 1.00 1.00 C ATOM 594 CZ PHE X 35 81.582 0.984 -3.018 1.00 1.00 C ATOM 0 H PHE X 35 77.788 -1.468 0.232 1.00 1.00 H new ATOM 0 HA PHE X 35 78.959 1.042 0.722 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.257 -0.255 -1.355 1.00 1.00 H new ATOM 0 HB3 PHE X 35 77.139 1.493 -1.287 1.00 1.00 H new ATOM 0 HD1 PHE X 35 79.551 2.700 -0.894 1.00 1.00 H new ATOM 0 HD2 PHE X 35 78.950 -1.149 -2.702 1.00 1.00 H new ATOM 0 HE1 PHE X 35 81.740 2.897 -2.042 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.142 -0.955 -3.847 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.536 1.070 -3.517 1.00 1.00 H new ATOM 604 N ASP X 36 75.765 0.757 1.439 1.00 1.00 N ATOM 605 CA ASP X 36 74.661 1.432 2.108 1.00 1.00 C ATOM 606 C ASP X 36 74.966 1.606 3.597 1.00 1.00 C ATOM 607 O ASP X 36 74.405 2.479 4.257 1.00 1.00 O ATOM 608 CB ASP X 36 73.382 0.613 1.947 1.00 1.00 C ATOM 609 CG ASP X 36 72.992 0.541 0.473 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.486 1.355 -0.289 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.216 -0.335 0.128 1.00 1.00 O ATOM 0 H ASP X 36 75.587 -0.217 1.193 1.00 1.00 H new ATOM 0 HA ASP X 36 74.528 2.414 1.655 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.531 -0.392 2.342 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.575 1.065 2.524 1.00 1.00 H new ATOM 616 N PHE X 37 75.839 0.751 4.123 1.00 1.00 N ATOM 617 CA PHE X 37 76.187 0.806 5.540 1.00 1.00 C ATOM 618 C PHE X 37 76.891 2.116 5.877 1.00 1.00 C ATOM 619 O PHE X 37 76.494 2.827 6.801 1.00 1.00 O ATOM 620 CB PHE X 37 77.103 -0.366 5.892 1.00 1.00 C ATOM 621 CG PHE X 37 77.181 -0.523 7.391 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.957 0.363 8.148 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.475 -1.553 8.025 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.025 0.221 9.539 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.544 -1.695 9.416 1.00 1.00 C ATOM 626 CZ PHE X 37 77.319 -0.808 10.173 1.00 1.00 C ATOM 0 H PHE X 37 76.314 0.019 3.596 1.00 1.00 H new ATOM 0 HA PHE X 37 75.267 0.745 6.121 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.725 -1.283 5.441 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.099 -0.196 5.483 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.503 1.156 7.659 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.878 -2.237 7.441 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.622 0.906 10.123 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.999 -2.489 9.905 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.372 -0.918 11.246 1.00 1.00 H new ATOM 636 N VAL X 38 77.937 2.429 5.118 1.00 1.00 N ATOM 637 CA VAL X 38 78.686 3.665 5.349 1.00 1.00 C ATOM 638 C VAL X 38 77.814 4.869 5.034 1.00 1.00 C ATOM 639 O VAL X 38 77.853 5.869 5.730 1.00 1.00 O ATOM 640 CB VAL X 38 79.938 3.705 4.475 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.533 3.732 3.009 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.762 4.957 4.790 1.00 1.00 C ATOM 0 H VAL X 38 78.283 1.856 4.349 1.00 1.00 H new ATOM 0 HA VAL X 38 78.983 3.694 6.397 1.00 1.00 H new ATOM 0 HB VAL X 38 80.538 2.818 4.679 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.426 3.761 2.385 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.955 2.838 2.775 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.927 4.617 2.815 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.652 4.975 4.161 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.162 5.846 4.595 1.00 1.00 H new ATOM 0 HG23 VAL X 38 81.059 4.943 5.839 1.00 1.00 H new ATOM 652 N LYS X 39 77.034 4.774 3.975 1.00 1.00 N ATOM 653 CA LYS X 39 76.162 5.883 3.587 1.00 1.00 C ATOM 654 C LYS X 39 75.101 6.137 4.656 1.00 1.00 C ATOM 655 O LYS X 39 74.679 7.275 4.872 1.00 1.00 O ATOM 656 CB LYS X 39 75.487 5.580 2.250 1.00 1.00 C ATOM 657 CG LYS X 39 76.537 5.594 1.135 1.00 1.00 C ATOM 658 CD LYS X 39 75.871 5.254 -0.199 1.00 1.00 C ATOM 659 CE LYS X 39 76.933 5.195 -1.299 1.00 1.00 C ATOM 660 NZ LYS X 39 76.278 4.907 -2.606 1.00 1.00 N ATOM 0 H LYS X 39 76.980 3.955 3.370 1.00 1.00 H new ATOM 0 HA LYS X 39 76.775 6.779 3.485 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.996 4.608 2.290 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.713 6.320 2.045 1.00 1.00 H new ATOM 0 HG2 LYS X 39 77.009 6.575 1.078 1.00 1.00 H new ATOM 0 HG3 LYS X 39 77.325 4.873 1.354 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.354 4.297 -0.126 1.00 1.00 H new ATOM 0 HD3 LYS X 39 75.119 6.004 -0.444 1.00 1.00 H new ATOM 0 HE2 LYS X 39 77.472 6.141 -1.351 1.00 1.00 H new ATOM 0 HE3 LYS X 39 77.667 4.422 -1.070 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 76.999 4.867 -3.354 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 75.783 3.994 -2.553 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 75.594 5.659 -2.825 1.00 1.00 H new ATOM 674 N ASP X 40 74.667 5.067 5.310 1.00 1.00 N ATOM 675 CA ASP X 40 73.648 5.181 6.346 1.00 1.00 C ATOM 676 C ASP X 40 74.170 5.971 7.543 1.00 1.00 C ATOM 677 O ASP X 40 73.527 6.913 8.004 1.00 1.00 O ATOM 678 CB ASP X 40 73.218 3.787 6.812 1.00 1.00 C ATOM 679 CG ASP X 40 72.359 3.119 5.743 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.968 3.805 4.813 1.00 1.00 O ATOM 681 OD2 ASP X 40 72.104 1.933 5.870 1.00 1.00 O ATOM 0 H ASP X 40 75.001 4.118 5.144 1.00 1.00 H new ATOM 0 HA ASP X 40 72.794 5.710 5.922 1.00 1.00 H new ATOM 0 HB2 ASP X 40 74.097 3.176 7.017 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.658 3.863 7.744 1.00 1.00 H new ATOM 686 N THR X 41 75.334 5.576 8.046 1.00 1.00 N ATOM 687 CA THR X 41 75.924 6.250 9.196 1.00 1.00 C ATOM 688 C THR X 41 76.979 7.264 8.762 1.00 1.00 C ATOM 689 O THR X 41 77.460 8.058 9.570 1.00 1.00 O ATOM 690 CB THR X 41 76.560 5.218 10.133 1.00 1.00 C ATOM 691 OG1 THR X 41 77.703 4.651 9.505 1.00 1.00 O ATOM 692 CG2 THR X 41 75.548 4.114 10.443 1.00 1.00 C ATOM 0 H THR X 41 75.884 4.799 7.679 1.00 1.00 H new ATOM 0 HA THR X 41 75.130 6.784 9.718 1.00 1.00 H new ATOM 0 HB THR X 41 76.858 5.706 11.061 1.00 1.00 H new ATOM 0 HG1 THR X 41 78.112 3.992 10.104 1.00 1.00 H new ATOM 0 HG21 THR X 41 76.002 3.381 11.110 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.672 4.548 10.924 1.00 1.00 H new ATOM 0 HG23 THR X 41 75.248 3.625 9.516 1.00 1.00 H new ATOM 700 N CYS X 42 77.341 7.223 7.491 1.00 1.00 N ATOM 701 CA CYS X 42 78.348 8.129 6.959 1.00 1.00 C ATOM 702 C CYS X 42 78.041 8.470 5.495 1.00 1.00 C ATOM 703 O CYS X 42 78.585 7.870 4.567 1.00 1.00 O ATOM 704 CB CYS X 42 79.741 7.499 7.077 1.00 1.00 C ATOM 705 SG CYS X 42 80.814 8.132 5.772 1.00 1.00 S ATOM 0 H CYS X 42 76.953 6.573 6.807 1.00 1.00 H new ATOM 0 HA CYS X 42 78.329 9.051 7.540 1.00 1.00 H new ATOM 0 HB2 CYS X 42 80.170 7.724 8.053 1.00 1.00 H new ATOM 0 HB3 CYS X 42 79.666 6.414 7.004 1.00 1.00 H new ATOM 0 HG CYS X 42 81.174 9.348 6.058 1.00 1.00 H new ATOM 711 N PRO X 43 77.173 9.415 5.272 1.00 1.00 N ATOM 712 CA PRO X 43 76.809 9.853 3.895 1.00 1.00 C ATOM 713 C PRO X 43 78.016 10.422 3.148 1.00 1.00 C ATOM 714 O PRO X 43 78.075 10.379 1.923 1.00 1.00 O ATOM 715 CB PRO X 43 75.752 10.933 4.123 1.00 1.00 C ATOM 716 CG PRO X 43 75.258 10.727 5.518 1.00 1.00 C ATOM 717 CD PRO X 43 76.435 10.158 6.295 1.00 1.00 C ATOM 0 HA PRO X 43 76.450 9.028 3.280 1.00 1.00 H new ATOM 0 HB2 PRO X 43 76.177 11.929 4.001 1.00 1.00 H new ATOM 0 HB3 PRO X 43 74.939 10.844 3.402 1.00 1.00 H new ATOM 0 HG2 PRO X 43 74.918 11.666 5.955 1.00 1.00 H new ATOM 0 HG3 PRO X 43 74.410 10.042 5.535 1.00 1.00 H new ATOM 0 HD2 PRO X 43 77.043 10.945 6.741 1.00 1.00 H new ATOM 0 HD3 PRO X 43 76.107 9.510 7.108 1.00 1.00 H new ATOM 725 N TRP X 44 78.967 10.966 3.903 1.00 1.00 N ATOM 726 CA TRP X 44 80.154 11.554 3.320 1.00 1.00 C ATOM 727 C TRP X 44 81.106 10.469 2.831 1.00 1.00 C ATOM 728 O TRP X 44 81.230 9.409 3.437 1.00 1.00 O ATOM 729 CB TRP X 44 80.860 12.434 4.359 1.00 1.00 C ATOM 730 CG TRP X 44 80.951 11.712 5.659 1.00 1.00 C ATOM 731 CD1 TRP X 44 81.857 10.751 5.951 1.00 1.00 C ATOM 732 CD2 TRP X 44 80.114 11.859 6.844 1.00 1.00 C ATOM 733 NE1 TRP X 44 81.632 10.301 7.239 1.00 1.00 N ATOM 734 CE2 TRP X 44 80.569 10.953 7.831 1.00 1.00 C ATOM 735 CE3 TRP X 44 79.017 12.684 7.155 1.00 1.00 C ATOM 736 CZ2 TRP X 44 79.956 10.868 9.082 1.00 1.00 C ATOM 737 CZ3 TRP X 44 78.398 12.600 8.413 1.00 1.00 C ATOM 738 CH2 TRP X 44 78.867 11.693 9.374 1.00 1.00 C ATOM 0 H TRP X 44 78.932 11.008 4.922 1.00 1.00 H new ATOM 0 HA TRP X 44 79.857 12.165 2.468 1.00 1.00 H new ATOM 0 HB2 TRP X 44 81.858 12.696 4.008 1.00 1.00 H new ATOM 0 HB3 TRP X 44 80.313 13.368 4.489 1.00 1.00 H new ATOM 0 HD1 TRP X 44 82.630 10.394 5.287 1.00 1.00 H new ATOM 0 HE1 TRP X 44 82.184 9.575 7.696 1.00 1.00 H new ATOM 0 HE3 TRP X 44 78.649 13.386 6.422 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 80.321 10.169 9.820 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 77.556 13.237 8.641 1.00 1.00 H new ATOM 0 HH2 TRP X 44 78.387 11.632 10.339 1.00 1.00 H new ATOM 749 N PHE X 45 81.783 10.755 1.739 1.00 1.00 N ATOM 750 CA PHE X 45 82.744 9.820 1.162 1.00 1.00 C ATOM 751 C PHE X 45 83.767 10.559 0.292 1.00 1.00 C ATOM 752 O PHE X 45 84.099 10.124 -0.812 1.00 1.00 O ATOM 753 CB PHE X 45 82.008 8.775 0.327 1.00 1.00 C ATOM 754 CG PHE X 45 83.009 7.870 -0.353 1.00 1.00 C ATOM 755 CD1 PHE X 45 83.843 7.047 0.412 1.00 1.00 C ATOM 756 CD2 PHE X 45 83.105 7.856 -1.751 1.00 1.00 C ATOM 757 CE1 PHE X 45 84.772 6.209 -0.218 1.00 1.00 C ATOM 758 CE2 PHE X 45 84.034 7.020 -2.381 1.00 1.00 C ATOM 759 CZ PHE X 45 84.868 6.196 -1.614 1.00 1.00 C ATOM 0 H PHE X 45 81.689 11.631 1.226 1.00 1.00 H new ATOM 0 HA PHE X 45 83.278 9.326 1.974 1.00 1.00 H new ATOM 0 HB2 PHE X 45 81.346 8.188 0.963 1.00 1.00 H new ATOM 0 HB3 PHE X 45 81.382 9.266 -0.418 1.00 1.00 H new ATOM 0 HD1 PHE X 45 83.770 7.058 1.489 1.00 1.00 H new ATOM 0 HD2 PHE X 45 82.462 8.491 -2.343 1.00 1.00 H new ATOM 0 HE1 PHE X 45 85.414 5.573 0.374 1.00 1.00 H new ATOM 0 HE2 PHE X 45 84.108 7.010 -3.458 1.00 1.00 H new ATOM 0 HZ PHE X 45 85.585 5.551 -2.100 1.00 1.00 H new ATOM 769 N PRO X 46 84.277 11.659 0.770 1.00 1.00 N ATOM 770 CA PRO X 46 85.278 12.466 0.035 1.00 1.00 C ATOM 771 C PRO X 46 86.264 11.597 -0.742 1.00 1.00 C ATOM 772 O PRO X 46 86.575 10.478 -0.336 1.00 1.00 O ATOM 773 CB PRO X 46 85.989 13.227 1.152 1.00 1.00 C ATOM 774 CG PRO X 46 84.976 13.380 2.241 1.00 1.00 C ATOM 775 CD PRO X 46 83.943 12.269 2.063 1.00 1.00 C ATOM 0 HA PRO X 46 84.822 13.110 -0.717 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.864 12.680 1.504 1.00 1.00 H new ATOM 0 HB3 PRO X 46 86.340 14.198 0.803 1.00 1.00 H new ATOM 0 HG2 PRO X 46 85.451 13.309 3.220 1.00 1.00 H new ATOM 0 HG3 PRO X 46 84.500 14.359 2.188 1.00 1.00 H new ATOM 0 HD2 PRO X 46 84.000 11.541 2.872 1.00 1.00 H new ATOM 0 HD3 PRO X 46 82.928 12.667 2.064 1.00 1.00 H new ATOM 783 N GLN X 47 86.746 12.125 -1.862 1.00 1.00 N ATOM 784 CA GLN X 47 87.698 11.397 -2.694 1.00 1.00 C ATOM 785 C GLN X 47 88.872 12.295 -3.067 1.00 1.00 C ATOM 786 O GLN X 47 88.678 13.432 -3.496 1.00 1.00 O ATOM 787 CB GLN X 47 87.011 10.897 -3.966 1.00 1.00 C ATOM 788 CG GLN X 47 85.994 9.813 -3.604 1.00 1.00 C ATOM 789 CD GLN X 47 85.273 9.334 -4.860 1.00 1.00 C ATOM 790 OE1 GLN X 47 85.913 9.016 -5.862 1.00 1.00 O ATOM 791 NE2 GLN X 47 83.969 9.265 -4.866 1.00 1.00 N ATOM 0 H GLN X 47 86.495 13.049 -2.213 1.00 1.00 H new ATOM 0 HA GLN X 47 88.070 10.544 -2.127 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.513 11.724 -4.472 1.00 1.00 H new ATOM 0 HB3 GLN X 47 87.752 10.499 -4.660 1.00 1.00 H new ATOM 0 HG2 GLN X 47 86.499 8.975 -3.123 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.272 10.205 -2.887 1.00 1.00 H new ATOM 0 HE21 GLN X 47 83.440 9.529 -4.035 1.00 1.00 H new ATOM 0 HE22 GLN X 47 83.479 8.947 -5.702 1.00 1.00 H new ATOM 800 N GLU X 48 90.084 11.778 -2.893 1.00 1.00 N ATOM 801 CA GLU X 48 91.286 12.544 -3.210 1.00 1.00 C ATOM 802 C GLU X 48 92.214 11.736 -4.110 1.00 1.00 C ATOM 803 O GLU X 48 91.899 10.610 -4.493 1.00 1.00 O ATOM 804 CB GLU X 48 92.019 12.922 -1.922 1.00 1.00 C ATOM 805 CG GLU X 48 91.175 13.923 -1.129 1.00 1.00 C ATOM 806 CD GLU X 48 91.860 14.250 0.194 1.00 1.00 C ATOM 807 OE1 GLU X 48 92.925 13.707 0.436 1.00 1.00 O ATOM 808 OE2 GLU X 48 91.310 15.038 0.944 1.00 1.00 O ATOM 0 H GLU X 48 90.260 10.839 -2.537 1.00 1.00 H new ATOM 0 HA GLU X 48 90.989 13.451 -3.737 1.00 1.00 H new ATOM 0 HB2 GLU X 48 92.205 12.031 -1.322 1.00 1.00 H new ATOM 0 HB3 GLU X 48 92.991 13.356 -2.158 1.00 1.00 H new ATOM 0 HG2 GLU X 48 91.035 14.834 -1.710 1.00 1.00 H new ATOM 0 HG3 GLU X 48 90.184 13.509 -0.942 1.00 1.00 H new ATOM 815 N GLY X 49 93.360 12.321 -4.445 1.00 1.00 N ATOM 816 CA GLY X 49 94.327 11.646 -5.305 1.00 1.00 C ATOM 817 C GLY X 49 94.856 10.379 -4.641 1.00 1.00 C ATOM 818 O GLY X 49 94.898 9.316 -5.257 1.00 1.00 O ATOM 0 H GLY X 49 93.640 13.252 -4.138 1.00 1.00 H new ATOM 0 HA2 GLY X 49 93.859 11.394 -6.257 1.00 1.00 H new ATOM 0 HA3 GLY X 49 95.156 12.319 -5.525 1.00 1.00 H new ATOM 822 N THR X 50 95.255 10.500 -3.378 1.00 1.00 N ATOM 823 CA THR X 50 95.776 9.360 -2.637 1.00 1.00 C ATOM 824 C THR X 50 94.632 8.514 -2.090 1.00 1.00 C ATOM 825 O THR X 50 93.484 8.955 -2.054 1.00 1.00 O ATOM 826 CB THR X 50 96.653 9.839 -1.480 1.00 1.00 C ATOM 827 OG1 THR X 50 95.847 10.524 -0.532 1.00 1.00 O ATOM 828 CG2 THR X 50 97.730 10.786 -2.012 1.00 1.00 C ATOM 0 H THR X 50 95.227 11.372 -2.850 1.00 1.00 H new ATOM 0 HA THR X 50 96.375 8.754 -3.317 1.00 1.00 H new ATOM 0 HB THR X 50 97.129 8.981 -1.004 1.00 1.00 H new ATOM 0 HG1 THR X 50 96.406 10.831 0.212 1.00 1.00 H new ATOM 0 HG21 THR X 50 98.355 11.127 -1.186 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.347 10.262 -2.742 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.257 11.645 -2.488 1.00 1.00 H new ATOM 836 N ILE X 51 94.951 7.296 -1.675 1.00 1.00 N ATOM 837 CA ILE X 51 93.936 6.396 -1.139 1.00 1.00 C ATOM 838 C ILE X 51 93.048 7.125 -0.141 1.00 1.00 C ATOM 839 O ILE X 51 93.474 7.434 0.972 1.00 1.00 O ATOM 840 CB ILE X 51 94.612 5.204 -0.446 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.226 4.275 -1.498 1.00 1.00 C ATOM 842 CG2 ILE X 51 93.577 4.430 0.372 1.00 1.00 C ATOM 843 CD1 ILE X 51 96.482 3.616 -0.933 1.00 1.00 C ATOM 0 H ILE X 51 95.895 6.910 -1.698 1.00 1.00 H new ATOM 0 HA ILE X 51 93.320 6.039 -1.964 1.00 1.00 H new ATOM 0 HB ILE X 51 95.397 5.572 0.215 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.504 3.513 -1.790 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.473 4.840 -2.396 1.00 1.00 H new ATOM 0 HG21 ILE X 51 94.059 3.585 0.863 1.00 1.00 H new ATOM 0 HG22 ILE X 51 93.143 5.087 1.125 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.790 4.066 -0.288 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.916 2.956 -1.684 1.00 1.00 H new ATOM 0 HD12 ILE X 51 97.206 4.385 -0.663 1.00 1.00 H new ATOM 0 HD13 ILE X 51 96.222 3.036 -0.047 1.00 1.00 H new ATOM 855 N ASP X 52 91.807 7.383 -0.544 1.00 1.00 N ATOM 856 CA ASP X 52 90.858 8.068 0.329 1.00 1.00 C ATOM 857 C ASP X 52 89.794 7.096 0.828 1.00 1.00 C ATOM 858 O ASP X 52 89.027 7.412 1.736 1.00 1.00 O ATOM 859 CB ASP X 52 90.186 9.212 -0.426 1.00 1.00 C ATOM 860 CG ASP X 52 89.406 10.092 0.546 1.00 1.00 C ATOM 861 OD1 ASP X 52 89.404 9.778 1.725 1.00 1.00 O ATOM 862 OD2 ASP X 52 88.827 11.068 0.098 1.00 1.00 O ATOM 0 H ASP X 52 91.437 7.131 -1.461 1.00 1.00 H new ATOM 0 HA ASP X 52 91.403 8.467 1.184 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.937 9.807 -0.945 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.515 8.812 -1.186 1.00 1.00 H new ATOM 867 N ILE X 53 89.759 5.910 0.232 1.00 1.00 N ATOM 868 CA ILE X 53 88.791 4.894 0.628 1.00 1.00 C ATOM 869 C ILE X 53 89.069 4.420 2.047 1.00 1.00 C ATOM 870 O ILE X 53 88.178 3.926 2.731 1.00 1.00 O ATOM 871 CB ILE X 53 88.860 3.705 -0.333 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.018 4.000 -1.571 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.322 2.451 0.345 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.644 3.343 -2.795 1.00 1.00 C ATOM 0 H ILE X 53 90.385 5.629 -0.522 1.00 1.00 H new ATOM 0 HA ILE X 53 87.794 5.332 0.591 1.00 1.00 H new ATOM 0 HB ILE X 53 89.899 3.544 -0.619 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.003 3.629 -1.428 1.00 1.00 H new ATOM 0 HG13 ILE X 53 87.945 5.077 -1.723 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.376 1.611 -0.348 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.920 2.231 1.229 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.285 2.613 0.639 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.037 3.558 -3.674 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.650 3.735 -2.944 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.694 2.265 -2.644 1.00 1.00 H new ATOM 886 N LYS X 54 90.307 4.581 2.488 1.00 1.00 N ATOM 887 CA LYS X 54 90.684 4.142 3.828 1.00 1.00 C ATOM 888 C LYS X 54 89.668 4.609 4.858 1.00 1.00 C ATOM 889 O LYS X 54 89.379 3.899 5.820 1.00 1.00 O ATOM 890 CB LYS X 54 92.066 4.699 4.184 1.00 1.00 C ATOM 891 CG LYS X 54 92.459 4.243 5.592 1.00 1.00 C ATOM 892 CD LYS X 54 93.895 4.675 5.889 1.00 1.00 C ATOM 893 CE LYS X 54 94.293 4.194 7.287 1.00 1.00 C ATOM 894 NZ LYS X 54 95.705 4.585 7.562 1.00 1.00 N ATOM 0 H LYS X 54 91.061 5.006 1.948 1.00 1.00 H new ATOM 0 HA LYS X 54 90.711 3.052 3.837 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.805 4.355 3.460 1.00 1.00 H new ATOM 0 HB3 LYS X 54 92.054 5.788 4.134 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.780 4.674 6.328 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.371 3.160 5.672 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.573 4.260 5.143 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.980 5.760 5.828 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.631 4.630 8.036 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.184 3.112 7.356 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 95.977 4.259 8.511 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.330 4.149 6.854 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.795 5.620 7.513 1.00 1.00 H new ATOM 908 N ARG X 55 89.120 5.794 4.648 1.00 1.00 N ATOM 909 CA ARG X 55 88.127 6.336 5.567 1.00 1.00 C ATOM 910 C ARG X 55 86.880 5.455 5.586 1.00 1.00 C ATOM 911 O ARG X 55 86.305 5.194 6.642 1.00 1.00 O ATOM 912 CB ARG X 55 87.749 7.757 5.142 1.00 1.00 C ATOM 913 CG ARG X 55 86.784 8.356 6.167 1.00 1.00 C ATOM 914 CD ARG X 55 86.464 9.801 5.783 1.00 1.00 C ATOM 915 NE ARG X 55 85.673 10.438 6.829 1.00 1.00 N ATOM 916 CZ ARG X 55 85.351 11.725 6.760 1.00 1.00 C ATOM 917 NH1 ARG X 55 85.751 12.444 5.747 1.00 1.00 N ATOM 918 NH2 ARG X 55 84.636 12.270 7.706 1.00 1.00 N ATOM 0 H ARG X 55 89.342 6.397 3.856 1.00 1.00 H new ATOM 0 HA ARG X 55 88.555 6.359 6.569 1.00 1.00 H new ATOM 0 HB2 ARG X 55 88.644 8.375 5.064 1.00 1.00 H new ATOM 0 HB3 ARG X 55 87.285 7.742 4.156 1.00 1.00 H new ATOM 0 HG2 ARG X 55 85.867 7.768 6.206 1.00 1.00 H new ATOM 0 HG3 ARG X 55 87.227 8.323 7.162 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.389 10.357 5.627 1.00 1.00 H new ATOM 0 HD3 ARG X 55 85.917 9.822 4.840 1.00 1.00 H new ATOM 0 HE ARG X 55 85.361 9.886 7.628 1.00 1.00 H new ATOM 0 HH11 ARG X 55 86.311 12.018 5.008 1.00 1.00 H new ATOM 0 HH12 ARG X 55 85.504 13.432 5.694 1.00 1.00 H new ATOM 0 HH21 ARG X 55 84.325 11.708 8.498 1.00 1.00 H new ATOM 0 HH22 ARG X 55 84.389 13.258 7.653 1.00 1.00 H new ATOM 932 N TRP X 56 86.462 5.003 4.413 1.00 1.00 N ATOM 933 CA TRP X 56 85.278 4.160 4.312 1.00 1.00 C ATOM 934 C TRP X 56 85.518 2.821 5.014 1.00 1.00 C ATOM 935 O TRP X 56 84.732 2.386 5.853 1.00 1.00 O ATOM 936 CB TRP X 56 84.925 3.923 2.839 1.00 1.00 C ATOM 937 CG TRP X 56 83.817 2.919 2.733 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.937 2.633 3.719 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.459 2.068 1.605 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.062 1.660 3.270 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.342 1.281 1.972 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.988 1.906 0.312 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.771 0.364 1.089 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.416 0.985 -0.580 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.310 0.216 -0.192 1.00 1.00 C ATOM 0 H TRP X 56 86.920 5.203 3.524 1.00 1.00 H new ATOM 0 HA TRP X 56 84.446 4.668 4.799 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.623 4.861 2.373 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.802 3.567 2.299 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.920 3.090 4.698 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.303 1.270 3.829 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.840 2.494 0.003 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.919 -0.227 1.393 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.830 0.868 -1.571 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.874 -0.491 -0.883 1.00 1.00 H new ATOM 956 N ARG X 57 86.628 2.189 4.683 1.00 1.00 N ATOM 957 CA ARG X 57 86.987 0.913 5.296 1.00 1.00 C ATOM 958 C ARG X 57 87.167 1.094 6.799 1.00 1.00 C ATOM 959 O ARG X 57 86.866 0.193 7.579 1.00 1.00 O ATOM 960 CB ARG X 57 88.284 0.373 4.686 1.00 1.00 C ATOM 961 CG ARG X 57 88.310 0.665 3.187 1.00 1.00 C ATOM 962 CD ARG X 57 87.128 -0.014 2.502 1.00 1.00 C ATOM 963 NE ARG X 57 87.258 0.062 1.057 1.00 1.00 N ATOM 964 CZ ARG X 57 86.232 -0.206 0.257 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.079 -0.547 0.766 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.375 -0.129 -1.038 1.00 1.00 N ATOM 0 H ARG X 57 87.299 2.533 3.996 1.00 1.00 H new ATOM 0 HA ARG X 57 86.185 0.199 5.109 1.00 1.00 H new ATOM 0 HB2 ARG X 57 89.144 0.834 5.171 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.359 -0.701 4.858 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.270 1.741 3.017 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.245 0.308 2.755 1.00 1.00 H new ATOM 0 HD2 ARG X 57 87.072 -1.057 2.813 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.198 0.462 2.814 1.00 1.00 H new ATOM 0 HE ARG X 57 88.155 0.326 0.649 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.966 -0.608 1.778 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.291 -0.753 0.152 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.275 0.137 -1.437 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.586 -0.335 -1.651 1.00 1.00 H new ATOM 980 N ARG X 58 87.658 2.264 7.199 1.00 1.00 N ATOM 981 CA ARG X 58 87.871 2.549 8.610 1.00 1.00 C ATOM 982 C ARG X 58 86.557 2.439 9.377 1.00 1.00 C ATOM 983 O ARG X 58 86.509 1.862 10.462 1.00 1.00 O ATOM 984 CB ARG X 58 88.443 3.962 8.775 1.00 1.00 C ATOM 985 CG ARG X 58 88.731 4.232 10.252 1.00 1.00 C ATOM 986 CD ARG X 58 89.343 5.623 10.403 1.00 1.00 C ATOM 987 NE ARG X 58 90.740 5.615 9.986 1.00 1.00 N ATOM 988 CZ ARG X 58 91.411 6.748 9.802 1.00 1.00 C ATOM 989 NH1 ARG X 58 90.819 7.895 9.990 1.00 1.00 N ATOM 990 NH2 ARG X 58 92.662 6.713 9.431 1.00 1.00 N ATOM 0 H ARG X 58 87.914 3.024 6.569 1.00 1.00 H new ATOM 0 HA ARG X 58 88.577 1.822 9.010 1.00 1.00 H new ATOM 0 HB2 ARG X 58 89.358 4.065 8.191 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.736 4.698 8.392 1.00 1.00 H new ATOM 0 HG2 ARG X 58 87.811 4.163 10.832 1.00 1.00 H new ATOM 0 HG3 ARG X 58 89.413 3.478 10.645 1.00 1.00 H new ATOM 0 HD2 ARG X 58 88.783 6.340 9.803 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.269 5.948 11.441 1.00 1.00 H new ATOM 0 HE ARG X 58 91.211 4.724 9.833 1.00 1.00 H new ATOM 0 HH11 ARG X 58 89.841 7.923 10.278 1.00 1.00 H new ATOM 0 HH12 ARG X 58 91.334 8.764 9.849 1.00 1.00 H new ATOM 0 HH21 ARG X 58 93.125 5.816 9.282 1.00 1.00 H new ATOM 0 HH22 ARG X 58 93.177 7.582 9.290 1.00 1.00 H new ATOM 1004 N VAL X 59 85.495 3.002 8.811 1.00 1.00 N ATOM 1005 CA VAL X 59 84.190 2.964 9.461 1.00 1.00 C ATOM 1006 C VAL X 59 83.688 1.527 9.553 1.00 1.00 C ATOM 1007 O VAL X 59 83.176 1.108 10.588 1.00 1.00 O ATOM 1008 CB VAL X 59 83.188 3.808 8.666 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.836 3.816 9.381 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.712 5.239 8.539 1.00 1.00 C ATOM 0 H VAL X 59 85.511 3.485 7.913 1.00 1.00 H new ATOM 0 HA VAL X 59 84.288 3.371 10.467 1.00 1.00 H new ATOM 0 HB VAL X 59 83.064 3.378 7.672 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.127 4.417 8.812 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.462 2.795 9.464 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.954 4.241 10.378 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.999 5.839 7.973 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.840 5.669 9.532 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.671 5.231 8.021 1.00 1.00 H new ATOM 1020 N GLY X 60 83.832 0.780 8.461 1.00 1.00 N ATOM 1021 CA GLY X 60 83.379 -0.600 8.436 1.00 1.00 C ATOM 1022 C GLY X 60 84.171 -1.448 9.420 1.00 1.00 C ATOM 1023 O GLY X 60 83.600 -2.128 10.245 1.00 1.00 O ATOM 0 H GLY X 60 84.255 1.107 7.592 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.318 -0.644 8.683 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.489 -1.005 7.430 1.00 1.00 H new ATOM 1027 N ASP X 61 85.488 -1.390 9.341 1.00 1.00 N ATOM 1028 CA ASP X 61 86.328 -2.170 10.242 1.00 1.00 C ATOM 1029 C ASP X 61 85.912 -1.950 11.692 1.00 1.00 C ATOM 1030 O ASP X 61 85.854 -2.895 12.481 1.00 1.00 O ATOM 1031 CB ASP X 61 87.791 -1.753 10.067 1.00 1.00 C ATOM 1032 CG ASP X 61 88.292 -2.187 8.694 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.584 -2.927 8.032 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.377 -1.770 8.324 1.00 1.00 O ATOM 0 H ASP X 61 85.999 -0.817 8.669 1.00 1.00 H new ATOM 0 HA ASP X 61 86.210 -3.226 9.999 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.886 -0.672 10.174 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.403 -2.205 10.847 1.00 1.00 H new ATOM 1039 N CYS X 62 85.629 -0.701 12.037 1.00 1.00 N ATOM 1040 CA CYS X 62 85.228 -0.378 13.406 1.00 1.00 C ATOM 1041 C CYS X 62 83.815 -0.889 13.706 1.00 1.00 C ATOM 1042 O CYS X 62 83.602 -1.688 14.633 1.00 1.00 O ATOM 1043 CB CYS X 62 85.274 1.139 13.614 1.00 1.00 C ATOM 1044 SG CYS X 62 86.969 1.731 13.396 1.00 1.00 S ATOM 0 H CYS X 62 85.668 0.096 11.402 1.00 1.00 H new ATOM 0 HA CYS X 62 85.924 -0.869 14.086 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.611 1.634 12.904 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.916 1.390 14.612 1.00 1.00 H new ATOM 0 HG CYS X 62 87.187 1.970 12.137 1.00 1.00 H new ATOM 1050 N PHE X 63 82.850 -0.411 12.927 1.00 1.00 N ATOM 1051 CA PHE X 63 81.463 -0.802 13.125 1.00 1.00 C ATOM 1052 C PHE X 63 81.294 -2.309 13.013 1.00 1.00 C ATOM 1053 O PHE X 63 80.635 -2.926 13.841 1.00 1.00 O ATOM 1054 CB PHE X 63 80.566 -0.106 12.099 1.00 1.00 C ATOM 1055 CG PHE X 63 80.038 1.185 12.678 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.909 1.168 13.504 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.674 2.397 12.387 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.415 2.365 14.040 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.182 3.593 12.922 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.052 3.576 13.749 1.00 1.00 C ATOM 0 H PHE X 63 83.003 0.243 12.159 1.00 1.00 H new ATOM 0 HA PHE X 63 81.171 -0.497 14.130 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.128 0.096 11.187 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.737 -0.758 11.824 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.418 0.233 13.729 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.545 2.409 11.749 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.543 2.353 14.677 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.673 4.528 12.697 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.672 4.499 14.162 1.00 1.00 H new ATOM 1070 N GLN X 64 81.895 -2.893 11.987 1.00 1.00 N ATOM 1071 CA GLN X 64 81.811 -4.332 11.768 1.00 1.00 C ATOM 1072 C GLN X 64 82.333 -5.086 12.982 1.00 1.00 C ATOM 1073 O GLN X 64 81.788 -6.110 13.357 1.00 1.00 O ATOM 1074 CB GLN X 64 82.617 -4.731 10.539 1.00 1.00 C ATOM 1075 CG GLN X 64 81.932 -4.182 9.287 1.00 1.00 C ATOM 1076 CD GLN X 64 82.802 -4.440 8.057 1.00 1.00 C ATOM 1077 OE1 GLN X 64 83.782 -5.182 8.135 1.00 1.00 O ATOM 1078 NE2 GLN X 64 82.509 -3.859 6.926 1.00 1.00 N ATOM 0 H GLN X 64 82.448 -2.393 11.291 1.00 1.00 H new ATOM 0 HA GLN X 64 80.764 -4.590 11.609 1.00 1.00 H new ATOM 0 HB2 GLN X 64 83.632 -4.341 10.613 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.696 -5.816 10.478 1.00 1.00 H new ATOM 0 HG2 GLN X 64 80.958 -4.655 9.159 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.755 -3.112 9.399 1.00 1.00 H new ATOM 0 HE21 GLN X 64 81.697 -3.245 6.863 1.00 1.00 H new ATOM 0 HE22 GLN X 64 83.092 -4.019 6.104 1.00 1.00 H new ATOM 1087 N ASP X 65 83.398 -4.578 13.589 1.00 1.00 N ATOM 1088 CA ASP X 65 83.980 -5.240 14.753 1.00 1.00 C ATOM 1089 C ASP X 65 82.916 -5.480 15.820 1.00 1.00 C ATOM 1090 O ASP X 65 82.784 -6.592 16.339 1.00 1.00 O ATOM 1091 CB ASP X 65 85.089 -4.362 15.337 1.00 1.00 C ATOM 1092 CG ASP X 65 85.883 -5.144 16.377 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.405 -6.184 16.799 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.959 -4.694 16.734 1.00 1.00 O ATOM 0 H ASP X 65 83.872 -3.722 13.301 1.00 1.00 H new ATOM 0 HA ASP X 65 84.390 -6.200 14.440 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.752 -4.023 14.541 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.656 -3.471 15.793 1.00 1.00 H new ATOM 1099 N TYR X 66 82.158 -4.438 16.137 1.00 1.00 N ATOM 1100 CA TYR X 66 81.103 -4.561 17.141 1.00 1.00 C ATOM 1101 C TYR X 66 79.867 -5.242 16.558 1.00 1.00 C ATOM 1102 O TYR X 66 79.250 -6.087 17.203 1.00 1.00 O ATOM 1103 CB TYR X 66 80.722 -3.179 17.669 1.00 1.00 C ATOM 1104 CG TYR X 66 81.907 -2.565 18.376 1.00 1.00 C ATOM 1105 CD1 TYR X 66 82.212 -2.942 19.688 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.701 -1.619 17.717 1.00 1.00 C ATOM 1107 CE1 TYR X 66 83.312 -2.375 20.343 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.801 -1.050 18.371 1.00 1.00 C ATOM 1109 CZ TYR X 66 84.107 -1.428 19.683 1.00 1.00 C ATOM 1110 OH TYR X 66 85.190 -0.868 20.328 1.00 1.00 O ATOM 0 H TYR X 66 82.249 -3.511 15.722 1.00 1.00 H new ATOM 0 HA TYR X 66 81.484 -5.174 17.958 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.404 -2.539 16.846 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.878 -3.260 18.354 1.00 1.00 H new ATOM 0 HD1 TYR X 66 81.598 -3.671 20.196 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.465 -1.328 16.704 1.00 1.00 H new ATOM 0 HE1 TYR X 66 83.548 -2.667 21.356 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.413 -0.320 17.863 1.00 1.00 H new ATOM 0 HH TYR X 66 85.634 -0.232 19.729 1.00 1.00 H new ATOM 1120 N TYR X 67 79.499 -4.854 15.345 1.00 1.00 N ATOM 1121 CA TYR X 67 78.321 -5.419 14.693 1.00 1.00 C ATOM 1122 C TYR X 67 78.449 -6.929 14.542 1.00 1.00 C ATOM 1123 O TYR X 67 77.538 -7.675 14.888 1.00 1.00 O ATOM 1124 CB TYR X 67 78.133 -4.775 13.316 1.00 1.00 C ATOM 1125 CG TYR X 67 77.152 -3.632 13.413 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.295 -2.672 14.422 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.099 -3.534 12.496 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.384 -1.614 14.514 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.188 -2.476 12.588 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.330 -1.515 13.597 1.00 1.00 C ATOM 1131 OH TYR X 67 74.433 -0.471 13.687 1.00 1.00 O ATOM 0 H TYR X 67 79.995 -4.154 14.793 1.00 1.00 H new ATOM 0 HA TYR X 67 77.452 -5.211 15.317 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.090 -4.413 12.940 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.771 -5.517 12.604 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.108 -2.748 15.129 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.990 -4.275 11.718 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.494 -0.873 15.292 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.375 -2.400 11.881 1.00 1.00 H new ATOM 0 HH TYR X 67 73.765 -0.551 12.974 1.00 1.00 H new ATOM 1141 N ASN X 68 79.588 -7.376 14.032 1.00 1.00 N ATOM 1142 CA ASN X 68 79.829 -8.797 13.848 1.00 1.00 C ATOM 1143 C ASN X 68 79.847 -9.508 15.195 1.00 1.00 C ATOM 1144 O ASN X 68 79.330 -10.617 15.328 1.00 1.00 O ATOM 1145 CB ASN X 68 81.161 -9.012 13.129 1.00 1.00 C ATOM 1146 CG ASN X 68 81.013 -8.675 11.649 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.847 -9.570 10.821 1.00 1.00 O ATOM 1148 ND2 ASN X 68 81.062 -7.429 11.265 1.00 1.00 N ATOM 0 H ASN X 68 80.358 -6.775 13.739 1.00 1.00 H new ATOM 0 HA ASN X 68 79.024 -9.213 13.241 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.932 -8.386 13.578 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.484 -10.047 13.245 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.963 -7.196 10.277 1.00 1.00 H new ATOM 0 HD22 ASN X 68 81.200 -6.688 11.953 1.00 1.00 H new ATOM 1155 N THR X 69 80.451 -8.863 16.192 1.00 1.00 N ATOM 1156 CA THR X 69 80.527 -9.446 17.528 1.00 1.00 C ATOM 1157 C THR X 69 79.134 -9.599 18.128 1.00 1.00 C ATOM 1158 O THR X 69 78.793 -10.647 18.678 1.00 1.00 O ATOM 1159 CB THR X 69 81.382 -8.560 18.436 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.695 -8.469 17.904 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.436 -9.165 19.839 1.00 1.00 C ATOM 0 H THR X 69 80.890 -7.947 16.101 1.00 1.00 H new ATOM 0 HA THR X 69 80.984 -10.432 17.447 1.00 1.00 H new ATOM 0 HB THR X 69 80.943 -7.564 18.491 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.890 -7.537 17.672 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.045 -8.533 20.485 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.427 -9.233 20.245 1.00 1.00 H new ATOM 0 HG23 THR X 69 81.874 -10.162 19.789 1.00 1.00 H new ATOM 1169 N PHE X 70 78.334 -8.544 18.021 1.00 1.00 N ATOM 1170 CA PHE X 70 76.979 -8.571 18.555 1.00 1.00 C ATOM 1171 C PHE X 70 76.120 -9.587 17.812 1.00 1.00 C ATOM 1172 O PHE X 70 75.345 -10.325 18.422 1.00 1.00 O ATOM 1173 CB PHE X 70 76.342 -7.179 18.453 1.00 1.00 C ATOM 1174 CG PHE X 70 76.705 -6.359 19.673 1.00 1.00 C ATOM 1175 CD1 PHE X 70 76.267 -6.763 20.939 1.00 1.00 C ATOM 1176 CD2 PHE X 70 77.477 -5.199 19.535 1.00 1.00 C ATOM 1177 CE1 PHE X 70 76.602 -6.007 22.070 1.00 1.00 C ATOM 1178 CE2 PHE X 70 77.813 -4.444 20.666 1.00 1.00 C ATOM 1179 CZ PHE X 70 77.375 -4.847 21.933 1.00 1.00 C ATOM 0 H PHE X 70 78.598 -7.666 17.573 1.00 1.00 H new ATOM 0 HA PHE X 70 77.034 -8.866 19.603 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.687 -6.676 17.550 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.259 -7.270 18.373 1.00 1.00 H new ATOM 0 HD1 PHE X 70 75.671 -7.657 21.044 1.00 1.00 H new ATOM 0 HD2 PHE X 70 77.813 -4.887 18.557 1.00 1.00 H new ATOM 0 HE1 PHE X 70 76.264 -6.319 23.047 1.00 1.00 H new ATOM 0 HE2 PHE X 70 78.410 -3.550 20.560 1.00 1.00 H new ATOM 0 HZ PHE X 70 77.633 -4.264 22.805 1.00 1.00 H new ATOM 1189 N GLY X 71 76.251 -9.607 16.491 1.00 1.00 N ATOM 1190 CA GLY X 71 75.475 -10.520 15.668 1.00 1.00 C ATOM 1191 C GLY X 71 75.346 -9.996 14.242 1.00 1.00 C ATOM 1192 O GLY X 71 75.640 -10.708 13.280 1.00 1.00 O ATOM 0 H GLY X 71 76.886 -9.002 15.970 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.952 -11.500 15.657 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.484 -10.653 16.101 1.00 1.00 H new ATOM 1196 N PRO X 72 74.908 -8.772 14.090 1.00 1.00 N ATOM 1197 CA PRO X 72 74.727 -8.145 12.751 1.00 1.00 C ATOM 1198 C PRO X 72 75.910 -8.396 11.822 1.00 1.00 C ATOM 1199 O PRO X 72 76.913 -7.684 11.862 1.00 1.00 O ATOM 1200 CB PRO X 72 74.588 -6.655 13.069 1.00 1.00 C ATOM 1201 CG PRO X 72 74.075 -6.586 14.471 1.00 1.00 C ATOM 1202 CD PRO X 72 74.538 -7.854 15.181 1.00 1.00 C ATOM 0 HA PRO X 72 73.869 -8.558 12.221 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.547 -6.144 12.977 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.901 -6.169 12.376 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.457 -5.700 14.978 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.987 -6.515 14.480 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.385 -7.655 15.837 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.746 -8.273 15.802 1.00 1.00 H new ATOM 1210 N GLU X 73 75.780 -9.412 10.981 1.00 1.00 N ATOM 1211 CA GLU X 73 76.833 -9.752 10.033 1.00 1.00 C ATOM 1212 C GLU X 73 76.615 -9.037 8.710 1.00 1.00 C ATOM 1213 O GLU X 73 77.347 -9.272 7.754 1.00 1.00 O ATOM 1214 CB GLU X 73 76.872 -11.263 9.807 1.00 1.00 C ATOM 1215 CG GLU X 73 75.576 -11.714 9.133 1.00 1.00 C ATOM 1216 CD GLU X 73 75.544 -13.235 9.030 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.559 -13.853 9.310 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.500 -13.762 8.678 1.00 1.00 O ATOM 0 H GLU X 73 74.958 -10.014 10.935 1.00 1.00 H new ATOM 0 HA GLU X 73 77.787 -9.429 10.450 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.728 -11.526 9.185 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.998 -11.780 10.758 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.717 -11.362 9.705 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.500 -11.272 8.139 1.00 1.00 H new ATOM 1225 N LYS X 74 75.593 -8.184 8.657 1.00 1.00 N ATOM 1226 CA LYS X 74 75.274 -7.450 7.439 1.00 1.00 C ATOM 1227 C LYS X 74 76.543 -7.093 6.680 1.00 1.00 C ATOM 1228 O LYS X 74 76.610 -7.264 5.464 1.00 1.00 O ATOM 1229 CB LYS X 74 74.499 -6.174 7.788 1.00 1.00 C ATOM 1230 CG LYS X 74 74.388 -5.279 6.547 1.00 1.00 C ATOM 1231 CD LYS X 74 73.504 -4.077 6.858 1.00 1.00 C ATOM 1232 CE LYS X 74 73.431 -3.171 5.630 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.560 -2.002 5.927 1.00 1.00 N ATOM 0 H LYS X 74 74.974 -7.986 9.443 1.00 1.00 H new ATOM 0 HA LYS X 74 74.657 -8.085 6.803 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.504 -6.430 8.154 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.005 -5.638 8.591 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.378 -4.944 6.239 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.969 -5.845 5.715 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.505 -4.409 7.139 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.907 -3.525 7.707 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.430 -2.833 5.354 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.036 -3.725 4.779 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.510 -1.385 5.091 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.605 -2.334 6.170 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.955 -1.469 6.728 1.00 1.00 H new ATOM 1247 N VAL X 75 77.544 -6.608 7.407 1.00 1.00 N ATOM 1248 CA VAL X 75 78.814 -6.246 6.798 1.00 1.00 C ATOM 1249 C VAL X 75 79.939 -7.115 7.370 1.00 1.00 C ATOM 1250 O VAL X 75 80.577 -6.753 8.356 1.00 1.00 O ATOM 1251 CB VAL X 75 79.115 -4.776 7.048 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.537 -3.946 5.908 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.496 -4.338 8.371 1.00 1.00 C ATOM 0 H VAL X 75 77.499 -6.458 8.415 1.00 1.00 H new ATOM 0 HA VAL X 75 78.748 -6.415 5.723 1.00 1.00 H new ATOM 0 HB VAL X 75 80.194 -4.628 7.097 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.750 -2.891 6.082 1.00 1.00 H new ATOM 0 HG12 VAL X 75 78.989 -4.257 4.966 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.458 -4.095 5.860 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.715 -3.284 8.544 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.416 -4.483 8.333 1.00 1.00 H new ATOM 0 HG23 VAL X 75 78.913 -4.934 9.183 1.00 1.00 H new ATOM 1263 N PRO X 76 80.187 -8.252 6.783 1.00 1.00 N ATOM 1264 CA PRO X 76 81.255 -9.187 7.249 1.00 1.00 C ATOM 1265 C PRO X 76 82.622 -8.513 7.325 1.00 1.00 C ATOM 1266 O PRO X 76 82.916 -7.594 6.561 1.00 1.00 O ATOM 1267 CB PRO X 76 81.252 -10.292 6.192 1.00 1.00 C ATOM 1268 CG PRO X 76 79.896 -10.241 5.575 1.00 1.00 C ATOM 1269 CD PRO X 76 79.472 -8.786 5.615 1.00 1.00 C ATOM 0 HA PRO X 76 81.066 -9.552 8.258 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.030 -10.126 5.447 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.444 -11.267 6.641 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.920 -10.612 4.550 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.193 -10.867 6.125 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.749 -8.262 4.700 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.392 -8.685 5.725 1.00 1.00 H new ATOM 1277 N VAL X 77 83.448 -8.972 8.260 1.00 1.00 N ATOM 1278 CA VAL X 77 84.781 -8.406 8.435 1.00 1.00 C ATOM 1279 C VAL X 77 85.655 -8.729 7.228 1.00 1.00 C ATOM 1280 O VAL X 77 86.613 -8.013 6.935 1.00 1.00 O ATOM 1281 CB VAL X 77 85.427 -8.967 9.702 1.00 1.00 C ATOM 1282 CG1 VAL X 77 84.361 -9.135 10.786 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.063 -10.321 9.393 1.00 1.00 C ATOM 0 H VAL X 77 83.220 -9.729 8.904 1.00 1.00 H new ATOM 0 HA VAL X 77 84.689 -7.324 8.528 1.00 1.00 H new ATOM 0 HB VAL X 77 86.196 -8.279 10.054 1.00 1.00 H new ATOM 0 HG11 VAL X 77 84.821 -9.535 11.690 1.00 1.00 H new ATOM 0 HG12 VAL X 77 83.910 -8.167 11.006 1.00 1.00 H new ATOM 0 HG13 VAL X 77 83.591 -9.823 10.436 1.00 1.00 H new ATOM 0 HG21 VAL X 77 86.524 -10.721 10.296 1.00 1.00 H new ATOM 0 HG22 VAL X 77 85.296 -11.011 9.040 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.823 -10.198 8.622 1.00 1.00 H new ATOM 1293 N THR X 78 85.317 -9.808 6.530 1.00 1.00 N ATOM 1294 CA THR X 78 86.077 -10.216 5.354 1.00 1.00 C ATOM 1295 C THR X 78 86.353 -9.015 4.455 1.00 1.00 C ATOM 1296 O THR X 78 87.219 -9.068 3.582 1.00 1.00 O ATOM 1297 CB THR X 78 85.295 -11.273 4.569 1.00 1.00 C ATOM 1298 OG1 THR X 78 83.966 -10.815 4.358 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.267 -12.583 5.358 1.00 1.00 C ATOM 0 H THR X 78 84.527 -10.412 6.756 1.00 1.00 H new ATOM 0 HA THR X 78 87.027 -10.637 5.684 1.00 1.00 H new ATOM 0 HB THR X 78 85.779 -11.443 3.607 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.464 -11.489 3.854 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.710 -13.334 4.797 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.287 -12.933 5.519 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.784 -12.417 6.321 1.00 1.00 H new ATOM 1307 N ALA X 79 85.614 -7.933 4.677 1.00 1.00 N ATOM 1308 CA ALA X 79 85.790 -6.726 3.885 1.00 1.00 C ATOM 1309 C ALA X 79 87.228 -6.225 3.986 1.00 1.00 C ATOM 1310 O ALA X 79 87.730 -5.572 3.071 1.00 1.00 O ATOM 1311 CB ALA X 79 84.831 -5.637 4.376 1.00 1.00 C ATOM 0 H ALA X 79 84.892 -7.869 5.395 1.00 1.00 H new ATOM 0 HA ALA X 79 85.572 -6.960 2.843 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.968 -4.735 3.779 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.803 -5.986 4.277 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.039 -5.414 5.422 1.00 1.00 H new ATOM 1317 N PHE X 80 87.883 -6.525 5.105 1.00 1.00 N ATOM 1318 CA PHE X 80 89.257 -6.087 5.309 1.00 1.00 C ATOM 1319 C PHE X 80 90.168 -6.634 4.212 1.00 1.00 C ATOM 1320 O PHE X 80 90.925 -5.888 3.588 1.00 1.00 O ATOM 1321 CB PHE X 80 89.754 -6.571 6.672 1.00 1.00 C ATOM 1322 CG PHE X 80 91.135 -6.021 6.927 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.254 -6.636 6.354 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.296 -4.892 7.740 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.535 -6.124 6.594 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.577 -4.380 7.981 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.696 -4.995 7.408 1.00 1.00 C ATOM 0 H PHE X 80 87.488 -7.064 5.876 1.00 1.00 H new ATOM 0 HA PHE X 80 89.281 -4.998 5.272 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.071 -6.246 7.457 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.774 -7.661 6.698 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.129 -7.506 5.726 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.432 -4.416 8.181 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.398 -6.599 6.152 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.701 -3.510 8.609 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.684 -4.599 7.593 1.00 1.00 H new ATOM 1337 N SER X 81 90.077 -7.937 3.965 1.00 1.00 N ATOM 1338 CA SER X 81 90.894 -8.569 2.928 1.00 1.00 C ATOM 1339 C SER X 81 90.555 -7.999 1.546 1.00 1.00 C ATOM 1340 O SER X 81 91.447 -7.662 0.750 1.00 1.00 O ATOM 1341 CB SER X 81 90.654 -10.080 2.937 1.00 1.00 C ATOM 1342 OG SER X 81 89.259 -10.335 2.855 1.00 1.00 O ATOM 0 H SER X 81 89.453 -8.573 4.462 1.00 1.00 H new ATOM 0 HA SER X 81 91.944 -8.363 3.138 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.170 -10.547 2.098 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.063 -10.519 3.847 1.00 1.00 H new ATOM 0 HG SER X 81 88.764 -9.508 3.032 1.00 1.00 H new ATOM 1348 N TYR X 82 89.261 -7.868 1.273 1.00 1.00 N ATOM 1349 CA TYR X 82 88.813 -7.320 -0.002 1.00 1.00 C ATOM 1350 C TYR X 82 89.404 -5.924 -0.221 1.00 1.00 C ATOM 1351 O TYR X 82 89.779 -5.542 -1.344 1.00 1.00 O ATOM 1352 CB TYR X 82 87.284 -7.259 -0.031 1.00 1.00 C ATOM 1353 CG TYR X 82 86.845 -6.082 -0.862 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.204 -6.009 -2.212 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.084 -5.060 -0.283 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.801 -4.914 -2.986 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.680 -3.964 -1.057 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.039 -3.891 -2.408 1.00 1.00 C ATOM 1359 OH TYR X 82 85.633 -2.812 -3.169 1.00 1.00 O ATOM 0 H TYR X 82 88.510 -8.131 1.911 1.00 1.00 H new ATOM 0 HA TYR X 82 89.158 -7.970 -0.806 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.880 -8.182 -0.447 1.00 1.00 H new ATOM 0 HB3 TYR X 82 86.894 -7.168 0.983 1.00 1.00 H new ATOM 0 HD1 TYR X 82 87.792 -6.798 -2.657 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.808 -5.116 0.760 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.078 -4.858 -4.028 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.092 -3.176 -0.611 1.00 1.00 H new ATOM 0 HH TYR X 82 85.112 -2.196 -2.612 1.00 1.00 H new ATOM 1369 N TRP X 83 89.507 -5.170 0.865 1.00 1.00 N ATOM 1370 CA TRP X 83 90.062 -3.829 0.786 1.00 1.00 C ATOM 1371 C TRP X 83 91.544 -3.890 0.417 1.00 1.00 C ATOM 1372 O TRP X 83 92.072 -2.985 -0.231 1.00 1.00 O ATOM 1373 CB TRP X 83 89.884 -3.094 2.114 1.00 1.00 C ATOM 1374 CG TRP X 83 90.603 -1.782 2.059 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.641 -0.960 0.986 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.377 -1.128 3.106 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.392 0.157 1.307 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.867 0.099 2.601 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.701 -1.479 4.428 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.650 0.951 3.384 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.488 -0.624 5.218 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.961 0.588 4.696 1.00 1.00 C ATOM 0 H TRP X 83 89.217 -5.460 1.799 1.00 1.00 H new ATOM 0 HA TRP X 83 89.526 -3.281 0.011 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.825 -2.932 2.313 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.273 -3.700 2.932 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.164 -1.145 0.035 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.572 0.929 0.665 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.343 -2.411 4.839 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.012 1.884 2.977 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.730 -0.902 6.233 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.566 1.241 5.308 1.00 1.00 H new ATOM 1393 N ASN X 84 92.212 -4.957 0.844 1.00 1.00 N ATOM 1394 CA ASN X 84 93.634 -5.116 0.560 1.00 1.00 C ATOM 1395 C ASN X 84 93.868 -5.104 -0.954 1.00 1.00 C ATOM 1396 O ASN X 84 94.823 -4.493 -1.453 1.00 1.00 O ATOM 1397 CB ASN X 84 94.132 -6.443 1.131 1.00 1.00 C ATOM 1398 CG ASN X 84 95.586 -6.315 1.568 1.00 1.00 C ATOM 1399 OD1 ASN X 84 95.915 -5.443 2.372 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.482 -7.131 1.084 1.00 1.00 N ATOM 0 H ASN X 84 91.797 -5.717 1.383 1.00 1.00 H new ATOM 0 HA ASN X 84 94.178 -4.292 1.021 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.514 -6.737 1.980 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.038 -7.228 0.381 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.457 -7.047 1.372 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.207 -7.853 0.418 1.00 1.00 H new ATOM 1407 N LEU X 85 92.981 -5.769 -1.684 1.00 1.00 N ATOM 1408 CA LEU X 85 93.100 -5.809 -3.134 1.00 1.00 C ATOM 1409 C LEU X 85 92.982 -4.408 -3.714 1.00 1.00 C ATOM 1410 O LEU X 85 93.687 -4.065 -4.673 1.00 1.00 O ATOM 1411 CB LEU X 85 92.013 -6.709 -3.727 1.00 1.00 C ATOM 1412 CG LEU X 85 92.438 -8.173 -3.628 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.655 -8.428 -4.521 1.00 1.00 C ATOM 1414 CD2 LEU X 85 92.799 -8.497 -2.177 1.00 1.00 C ATOM 0 H LEU X 85 92.184 -6.280 -1.303 1.00 1.00 H new ATOM 0 HA LEU X 85 94.079 -6.215 -3.390 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.073 -6.557 -3.196 1.00 1.00 H new ATOM 0 HB3 LEU X 85 91.836 -6.442 -4.769 1.00 1.00 H new ATOM 0 HG LEU X 85 91.615 -8.807 -3.956 1.00 1.00 H new ATOM 0 HD11 LEU X 85 93.950 -9.474 -4.443 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.401 -8.198 -5.556 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.481 -7.793 -4.200 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.103 -9.541 -2.102 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.620 -7.856 -1.854 1.00 1.00 H new ATOM 0 HD23 LEU X 85 91.932 -8.325 -1.539 1.00 1.00 H new ATOM 1426 N ILE X 86 92.097 -3.597 -3.134 1.00 1.00 N ATOM 1427 CA ILE X 86 91.922 -2.228 -3.615 1.00 1.00 C ATOM 1428 C ILE X 86 93.211 -1.425 -3.413 1.00 1.00 C ATOM 1429 O ILE X 86 93.644 -0.700 -4.310 1.00 1.00 O ATOM 1430 CB ILE X 86 90.789 -1.563 -2.861 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.465 -2.230 -3.233 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.727 -0.075 -3.205 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.359 -1.726 -2.305 1.00 1.00 C ATOM 0 H ILE X 86 91.502 -3.857 -2.347 1.00 1.00 H new ATOM 0 HA ILE X 86 91.686 -2.257 -4.679 1.00 1.00 H new ATOM 0 HB ILE X 86 90.965 -1.672 -1.791 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.213 -2.008 -4.270 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.556 -3.313 -3.152 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.909 0.391 -2.657 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.667 0.402 -2.928 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.561 0.044 -4.276 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.415 -2.202 -2.571 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.610 -1.971 -1.273 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.262 -0.645 -2.408 1.00 1.00 H new ATOM 1445 N LYS X 87 93.829 -1.567 -2.242 1.00 1.00 N ATOM 1446 CA LYS X 87 95.064 -0.845 -1.963 1.00 1.00 C ATOM 1447 C LYS X 87 96.026 -0.965 -3.141 1.00 1.00 C ATOM 1448 O LYS X 87 96.543 0.034 -3.630 1.00 1.00 O ATOM 1449 CB LYS X 87 95.730 -1.434 -0.716 1.00 1.00 C ATOM 1450 CG LYS X 87 94.971 -0.990 0.527 1.00 1.00 C ATOM 1451 CD LYS X 87 95.664 -1.543 1.778 1.00 1.00 C ATOM 1452 CE LYS X 87 95.000 -0.971 3.028 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.693 -1.480 4.243 1.00 1.00 N ATOM 0 H LYS X 87 93.500 -2.165 -1.484 1.00 1.00 H new ATOM 0 HA LYS X 87 94.825 0.206 -1.799 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.742 -2.522 -0.778 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.768 -1.107 -0.657 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.932 0.098 0.572 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.941 -1.345 0.483 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.604 -2.631 1.788 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.722 -1.282 1.765 1.00 1.00 H new ATOM 0 HE2 LYS X 87 95.038 0.118 3.005 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.947 -1.253 3.053 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 95.048 -1.428 5.058 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.980 -2.468 4.091 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.535 -0.900 4.431 1.00 1.00 H new ATOM 1467 N GLU X 88 96.244 -2.185 -3.600 1.00 1.00 N ATOM 1468 CA GLU X 88 97.140 -2.408 -4.735 1.00 1.00 C ATOM 1469 C GLU X 88 96.592 -1.757 -6.001 1.00 1.00 C ATOM 1470 O GLU X 88 97.349 -1.260 -6.838 1.00 1.00 O ATOM 1471 CB GLU X 88 97.319 -3.912 -4.971 1.00 1.00 C ATOM 1472 CG GLU X 88 98.283 -4.482 -3.933 1.00 1.00 C ATOM 1473 CD GLU X 88 98.406 -5.989 -4.114 1.00 1.00 C ATOM 1474 OE1 GLU X 88 97.835 -6.503 -5.063 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.069 -6.610 -3.299 1.00 1.00 O ATOM 0 H GLU X 88 95.822 -3.030 -3.215 1.00 1.00 H new ATOM 0 HA GLU X 88 98.103 -1.955 -4.500 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.356 -4.418 -4.904 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.703 -4.090 -5.975 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.262 -4.013 -4.036 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.926 -4.255 -2.929 1.00 1.00 H new ATOM 1482 N LEU X 89 95.275 -1.766 -6.145 1.00 1.00 N ATOM 1483 CA LEU X 89 94.654 -1.178 -7.323 1.00 1.00 C ATOM 1484 C LEU X 89 94.885 0.327 -7.375 1.00 1.00 C ATOM 1485 O LEU X 89 95.195 0.882 -8.430 1.00 1.00 O ATOM 1486 CB LEU X 89 93.149 -1.472 -7.318 1.00 1.00 C ATOM 1487 CG LEU X 89 92.467 -0.766 -8.496 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.123 -1.197 -9.805 1.00 1.00 C ATOM 1489 CD2 LEU X 89 90.985 -1.137 -8.522 1.00 1.00 C ATOM 0 H LEU X 89 94.623 -2.168 -5.471 1.00 1.00 H new ATOM 0 HA LEU X 89 95.112 -1.623 -8.206 1.00 1.00 H new ATOM 0 HB2 LEU X 89 92.981 -2.547 -7.382 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.709 -1.136 -6.379 1.00 1.00 H new ATOM 0 HG LEU X 89 92.571 0.313 -8.380 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.635 -0.693 -10.640 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.180 -0.930 -9.787 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.023 -2.276 -9.924 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.499 -0.636 -9.359 1.00 1.00 H new ATOM 0 HD22 LEU X 89 90.882 -2.216 -8.636 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.515 -0.824 -7.589 1.00 1.00 H new ATOM 1501 N ILE X 90 94.699 0.987 -6.238 1.00 1.00 N ATOM 1502 CA ILE X 90 94.865 2.433 -6.171 1.00 1.00 C ATOM 1503 C ILE X 90 96.324 2.793 -5.934 1.00 1.00 C ATOM 1504 O ILE X 90 96.834 3.767 -6.487 1.00 1.00 O ATOM 1505 CB ILE X 90 94.003 2.996 -5.041 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.550 2.575 -5.255 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.080 4.524 -5.052 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.739 2.859 -3.995 1.00 1.00 C ATOM 0 H ILE X 90 94.435 0.548 -5.356 1.00 1.00 H new ATOM 0 HA ILE X 90 94.551 2.866 -7.120 1.00 1.00 H new ATOM 0 HB ILE X 90 94.366 2.614 -4.087 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.126 3.116 -6.101 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.501 1.514 -5.498 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.465 4.925 -4.246 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.114 4.837 -4.910 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.715 4.900 -6.008 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.704 2.557 -4.153 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.157 2.298 -3.159 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.776 3.925 -3.771 1.00 1.00 H new ATOM 1520 N ASP X 91 96.990 2.004 -5.100 1.00 1.00 N ATOM 1521 CA ASP X 91 98.397 2.254 -4.787 1.00 1.00 C ATOM 1522 C ASP X 91 99.252 2.138 -6.045 1.00 1.00 C ATOM 1523 O ASP X 91 100.063 3.016 -6.340 1.00 1.00 O ATOM 1524 CB ASP X 91 98.891 1.254 -3.739 1.00 1.00 C ATOM 1525 CG ASP X 91 100.335 1.559 -3.364 1.00 1.00 C ATOM 1526 OD1 ASP X 91 100.935 2.398 -4.016 1.00 1.00 O ATOM 1527 OD2 ASP X 91 100.817 0.958 -2.417 1.00 1.00 O ATOM 0 H ASP X 91 96.587 1.193 -4.631 1.00 1.00 H new ATOM 0 HA ASP X 91 98.485 3.265 -4.390 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.259 1.303 -2.852 1.00 1.00 H new ATOM 0 HB3 ASP X 91 98.815 0.239 -4.129 1.00 1.00 H new ATOM 1532 N LYS X 92 99.068 1.047 -6.780 1.00 1.00 N ATOM 1533 CA LYS X 92 99.832 0.820 -8.004 1.00 1.00 C ATOM 1534 C LYS X 92 99.506 1.885 -9.045 1.00 1.00 C ATOM 1535 O LYS X 92 100.391 2.372 -9.748 1.00 1.00 O ATOM 1536 CB LYS X 92 99.508 -0.564 -8.568 1.00 1.00 C ATOM 1537 CG LYS X 92 99.858 -1.642 -7.534 1.00 1.00 C ATOM 1538 CD LYS X 92 101.337 -2.010 -7.639 1.00 1.00 C ATOM 1539 CE LYS X 92 101.659 -3.108 -6.625 1.00 1.00 C ATOM 1540 NZ LYS X 92 103.106 -3.454 -6.721 1.00 1.00 N ATOM 0 H LYS X 92 98.401 0.309 -6.553 1.00 1.00 H new ATOM 0 HA LYS X 92 100.894 0.877 -7.765 1.00 1.00 H new ATOM 0 HB2 LYS X 92 98.450 -0.623 -8.825 1.00 1.00 H new ATOM 0 HB3 LYS X 92 100.069 -0.733 -9.487 1.00 1.00 H new ATOM 0 HG2 LYS X 92 99.636 -1.280 -6.530 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.243 -2.527 -7.697 1.00 1.00 H new ATOM 0 HD2 LYS X 92 101.567 -2.352 -8.648 1.00 1.00 H new ATOM 0 HD3 LYS X 92 101.956 -1.133 -7.451 1.00 1.00 H new ATOM 0 HE2 LYS X 92 101.420 -2.770 -5.617 1.00 1.00 H new ATOM 0 HE3 LYS X 92 101.048 -3.990 -6.819 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 103.331 -4.201 -6.033 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 103.319 -3.792 -7.681 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 103.679 -2.611 -6.516 1.00 1.00 H new ATOM 1554 N LYS X 93 98.230 2.240 -9.140 1.00 1.00 N ATOM 1555 CA LYS X 93 97.793 3.253 -10.100 1.00 1.00 C ATOM 1556 C LYS X 93 98.056 4.650 -9.564 1.00 1.00 C ATOM 1557 O LYS X 93 97.767 4.951 -8.408 1.00 1.00 O ATOM 1558 CB LYS X 93 96.302 3.091 -10.390 1.00 1.00 C ATOM 1559 CG LYS X 93 95.853 4.142 -11.408 1.00 1.00 C ATOM 1560 CD LYS X 93 94.376 3.936 -11.740 1.00 1.00 C ATOM 1561 CE LYS X 93 93.953 4.939 -12.813 1.00 1.00 C ATOM 1562 NZ LYS X 93 93.999 6.320 -12.254 1.00 1.00 N ATOM 0 H LYS X 93 97.482 1.846 -8.569 1.00 1.00 H new ATOM 0 HA LYS X 93 98.360 3.117 -11.021 1.00 1.00 H new ATOM 0 HB2 LYS X 93 96.104 2.091 -10.775 1.00 1.00 H new ATOM 0 HB3 LYS X 93 95.730 3.197 -9.468 1.00 1.00 H new ATOM 0 HG2 LYS X 93 96.009 5.143 -11.006 1.00 1.00 H new ATOM 0 HG3 LYS X 93 96.454 4.065 -12.314 1.00 1.00 H new ATOM 0 HD2 LYS X 93 94.209 2.918 -12.092 1.00 1.00 H new ATOM 0 HD3 LYS X 93 93.769 4.067 -10.844 1.00 1.00 H new ATOM 0 HE2 LYS X 93 94.614 4.863 -13.676 1.00 1.00 H new ATOM 0 HE3 LYS X 93 92.946 4.711 -13.162 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 93.069 6.771 -12.367 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 94.243 6.278 -11.244 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 94.717 6.876 -12.761 1.00 1.00 H new ATOM 1576 N GLU X 94 98.605 5.495 -10.418 1.00 1.00 N ATOM 1577 CA GLU X 94 98.904 6.874 -10.032 1.00 1.00 C ATOM 1578 C GLU X 94 98.628 7.833 -11.185 1.00 1.00 C ATOM 1579 O GLU X 94 98.901 9.032 -11.083 1.00 1.00 O ATOM 1580 CB GLU X 94 100.368 6.997 -9.605 1.00 1.00 C ATOM 1581 CG GLU X 94 100.585 6.235 -8.296 1.00 1.00 C ATOM 1582 CD GLU X 94 102.054 6.291 -7.897 1.00 1.00 C ATOM 1583 OE1 GLU X 94 102.788 7.046 -8.512 1.00 1.00 O ATOM 1584 OE2 GLU X 94 102.425 5.573 -6.983 1.00 1.00 O ATOM 0 H GLU X 94 98.854 5.259 -11.379 1.00 1.00 H new ATOM 0 HA GLU X 94 98.258 7.138 -9.195 1.00 1.00 H new ATOM 0 HB2 GLU X 94 101.019 6.598 -10.383 1.00 1.00 H new ATOM 0 HB3 GLU X 94 100.633 8.046 -9.475 1.00 1.00 H new ATOM 0 HG2 GLU X 94 99.969 6.667 -7.508 1.00 1.00 H new ATOM 0 HG3 GLU X 94 100.271 5.198 -8.413 1.00 1.00 H new ATOM 1591 N VAL X 95 98.088 7.300 -12.280 1.00 1.00 N ATOM 1592 CA VAL X 95 97.783 8.124 -13.448 1.00 1.00 C ATOM 1593 C VAL X 95 96.305 8.020 -13.795 1.00 1.00 C ATOM 1594 O VAL X 95 95.741 6.927 -13.823 1.00 1.00 O ATOM 1595 CB VAL X 95 98.625 7.674 -14.643 1.00 1.00 C ATOM 1596 CG1 VAL X 95 98.184 8.434 -15.897 1.00 1.00 C ATOM 1597 CG2 VAL X 95 100.101 7.960 -14.362 1.00 1.00 C ATOM 0 H VAL X 95 97.855 6.312 -12.383 1.00 1.00 H new ATOM 0 HA VAL X 95 98.021 9.161 -13.213 1.00 1.00 H new ATOM 0 HB VAL X 95 98.487 6.605 -14.803 1.00 1.00 H new ATOM 0 HG11 VAL X 95 98.785 8.112 -16.748 1.00 1.00 H new ATOM 0 HG12 VAL X 95 97.133 8.227 -16.097 1.00 1.00 H new ATOM 0 HG13 VAL X 95 98.320 9.504 -15.741 1.00 1.00 H new ATOM 0 HG21 VAL X 95 100.702 7.640 -15.213 1.00 1.00 H new ATOM 0 HG22 VAL X 95 100.240 9.029 -14.201 1.00 1.00 H new ATOM 0 HG23 VAL X 95 100.414 7.415 -13.471 1.00 1.00 H new ATOM 1607 N ASN X 96 95.682 9.162 -14.059 1.00 1.00 N ATOM 1608 CA ASN X 96 94.269 9.179 -14.402 1.00 1.00 C ATOM 1609 C ASN X 96 93.988 10.226 -15.480 1.00 1.00 C ATOM 1610 O ASN X 96 94.763 11.165 -15.664 1.00 1.00 O ATOM 1611 CB ASN X 96 93.430 9.499 -13.161 1.00 1.00 C ATOM 1612 CG ASN X 96 92.645 10.791 -13.379 1.00 1.00 C ATOM 1613 OD1 ASN X 96 91.416 10.771 -13.435 1.00 1.00 O ATOM 1614 ND2 ASN X 96 93.289 11.919 -13.504 1.00 1.00 N ATOM 0 H ASN X 96 96.129 10.079 -14.042 1.00 1.00 H new ATOM 0 HA ASN X 96 94.001 8.194 -14.783 1.00 1.00 H new ATOM 0 HB2 ASN X 96 92.744 8.678 -12.954 1.00 1.00 H new ATOM 0 HB3 ASN X 96 94.078 9.600 -12.290 1.00 1.00 H new ATOM 0 HD21 ASN X 96 92.774 12.787 -13.649 1.00 1.00 H new ATOM 0 HD22 ASN X 96 94.308 11.932 -13.457 1.00 1.00 H new ATOM 1621 N PRO X 97 92.893 10.086 -16.179 1.00 1.00 N ATOM 1622 CA PRO X 97 92.487 11.045 -17.247 1.00 1.00 C ATOM 1623 C PRO X 97 92.096 12.405 -16.672 1.00 1.00 C ATOM 1624 O PRO X 97 91.567 12.492 -15.564 1.00 1.00 O ATOM 1625 CB PRO X 97 91.286 10.363 -17.907 1.00 1.00 C ATOM 1626 CG PRO X 97 90.732 9.449 -16.866 1.00 1.00 C ATOM 1627 CD PRO X 97 91.918 8.994 -16.028 1.00 1.00 C ATOM 0 HA PRO X 97 93.298 11.254 -17.945 1.00 1.00 H new ATOM 0 HB2 PRO X 97 90.543 11.095 -18.224 1.00 1.00 H new ATOM 0 HB3 PRO X 97 91.588 9.810 -18.796 1.00 1.00 H new ATOM 0 HG2 PRO X 97 89.994 9.962 -16.250 1.00 1.00 H new ATOM 0 HG3 PRO X 97 90.229 8.597 -17.323 1.00 1.00 H new ATOM 0 HD2 PRO X 97 91.638 8.849 -14.985 1.00 1.00 H new ATOM 0 HD3 PRO X 97 92.320 8.046 -16.385 1.00 1.00 H new ATOM 1635 N GLN X 98 92.356 13.462 -17.435 1.00 1.00 N ATOM 1636 CA GLN X 98 92.024 14.812 -16.990 1.00 1.00 C ATOM 1637 C GLN X 98 91.379 15.598 -18.124 1.00 1.00 C ATOM 1638 O GLN X 98 91.592 15.296 -19.299 1.00 1.00 O ATOM 1639 CB GLN X 98 93.289 15.533 -16.524 1.00 1.00 C ATOM 1640 CG GLN X 98 93.846 14.833 -15.284 1.00 1.00 C ATOM 1641 CD GLN X 98 95.156 15.488 -14.858 1.00 1.00 C ATOM 1642 OE1 GLN X 98 95.479 16.584 -15.315 1.00 1.00 O ATOM 1643 NE2 GLN X 98 95.934 14.877 -14.007 1.00 1.00 N ATOM 0 H GLN X 98 92.791 13.412 -18.356 1.00 1.00 H new ATOM 0 HA GLN X 98 91.320 14.742 -16.160 1.00 1.00 H new ATOM 0 HB2 GLN X 98 94.034 15.534 -17.320 1.00 1.00 H new ATOM 0 HB3 GLN X 98 93.064 16.575 -16.296 1.00 1.00 H new ATOM 0 HG2 GLN X 98 93.122 14.886 -14.471 1.00 1.00 H new ATOM 0 HG3 GLN X 98 94.010 13.777 -15.496 1.00 1.00 H new ATOM 0 HE21 GLN X 98 95.664 13.969 -13.630 1.00 1.00 H new ATOM 0 HE22 GLN X 98 96.813 15.308 -13.719 1.00 1.00 H new ATOM 1652 N VAL X 99 90.588 16.607 -17.765 1.00 1.00 N ATOM 1653 CA VAL X 99 89.915 17.434 -18.762 1.00 1.00 C ATOM 1654 C VAL X 99 90.306 18.897 -18.593 1.00 1.00 C ATOM 1655 O VAL X 99 90.237 19.447 -17.496 1.00 1.00 O ATOM 1656 CB VAL X 99 88.398 17.288 -18.618 1.00 1.00 C ATOM 1657 CG1 VAL X 99 87.699 18.339 -19.482 1.00 1.00 C ATOM 1658 CG2 VAL X 99 87.971 15.889 -19.070 1.00 1.00 C ATOM 0 H VAL X 99 90.399 16.870 -16.798 1.00 1.00 H new ATOM 0 HA VAL X 99 90.220 17.101 -19.754 1.00 1.00 H new ATOM 0 HB VAL X 99 88.119 17.432 -17.574 1.00 1.00 H new ATOM 0 HG11 VAL X 99 86.619 18.235 -19.379 1.00 1.00 H new ATOM 0 HG12 VAL X 99 88.000 19.335 -19.158 1.00 1.00 H new ATOM 0 HG13 VAL X 99 87.979 18.197 -20.526 1.00 1.00 H new ATOM 0 HG21 VAL X 99 86.891 15.787 -18.967 1.00 1.00 H new ATOM 0 HG22 VAL X 99 88.251 15.742 -20.113 1.00 1.00 H new ATOM 0 HG23 VAL X 99 88.467 15.140 -18.452 1.00 1.00 H new ATOM 1668 N MET X 100 90.720 19.521 -19.692 1.00 1.00 N ATOM 1669 CA MET X 100 91.122 20.920 -19.657 1.00 1.00 C ATOM 1670 C MET X 100 92.029 21.187 -18.460 1.00 1.00 C ATOM 1671 O MET X 100 93.067 20.555 -18.375 1.00 1.00 O ATOM 1672 CB MET X 100 89.889 21.819 -19.578 1.00 1.00 C ATOM 1673 CG MET X 100 89.135 21.769 -20.908 1.00 1.00 C ATOM 1674 SD MET X 100 87.647 22.792 -20.793 1.00 1.00 S ATOM 1675 CE MET X 100 88.479 24.389 -20.606 1.00 1.00 C ATOM 1676 OXT MET X 100 91.669 22.022 -17.645 1.00 1.00 O ATOM 0 H MET X 100 90.785 19.082 -20.611 1.00 1.00 H new ATOM 0 HA MET X 100 91.672 21.142 -20.572 1.00 1.00 H new ATOM 0 HB2 MET X 100 89.239 21.492 -18.767 1.00 1.00 H new ATOM 0 HB3 MET X 100 90.187 22.844 -19.355 1.00 1.00 H new ATOM 0 HG2 MET X 100 89.774 22.127 -21.715 1.00 1.00 H new ATOM 0 HG3 MET X 100 88.865 20.740 -21.147 1.00 1.00 H new ATOM 0 HE1 MET X 100 87.857 25.176 -21.034 1.00 1.00 H new ATOM 0 HE2 MET X 100 88.644 24.592 -19.548 1.00 1.00 H new ATOM 0 HE3 MET X 100 89.438 24.363 -21.124 1.00 1.00 H new TER 1686 MET X 100