USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 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 140:sc= -0.275 (180deg=-1.34!) USER MOD Single : X 1 MET N :NH3+ -137:sc= 0.0835 (180deg=-1.14) USER MOD Single : X 3 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.99) USER MOD Single : X 6 SER OG : rot -111:sc= -0.363 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 8 HIS : no HD1:sc= 0.219 K(o=0.22,f=-0.88) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-1.7!) USER MOD Single : X 16 LYS NZ :NH3+ 180:sc= -0.423! (180deg=-0.423!) USER MOD Single : X 17 GLN : amide:sc= -0.505 K(o=-0.5,f=-3.8!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -26:sc= 0.911 USER MOD Single : X 25 LYS NZ :NH3+ -163:sc= -0.0703 (180deg=-0.491) USER MOD Single : X 27 LYS NZ :NH3+ -163:sc= -0.0111 (180deg=-0.29) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -113:sc= -1.81! (180deg=-6.38!) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 111:sc= 1.1 USER MOD Single : X 42 CYS SG : rot 180:sc= -2.15! USER MOD Single : X 47 GLN : amide:sc=-0.00832 K(o=-0.0083,f=-1.6!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ -159:sc= 0.626 (180deg=-0.257) USER MOD Single : X 62 CYS SG : rot 74:sc= 0.657 USER MOD Single : X 64 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.7!) 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= -0.47 X(o=-0.47,f=-0.0045) USER MOD Single : X 69 THR OG1 : rot 98:sc= 0.75 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.062 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -129:sc= 1.62 USER MOD Single : X 84 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.4) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.039) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 100 MET CE :methyl 152:sc= -0.161 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 72.027 -5.372 0.977 1.00 1.00 N ATOM 2 CA MET X 1 71.277 -6.609 1.334 1.00 1.00 C ATOM 3 C MET X 1 70.662 -7.214 0.070 1.00 1.00 C ATOM 4 O MET X 1 71.020 -6.861 -1.036 1.00 1.00 O ATOM 5 CB MET X 1 70.167 -6.265 2.327 1.00 1.00 C ATOM 6 CG MET X 1 70.785 -5.921 3.684 1.00 1.00 C ATOM 7 SD MET X 1 69.480 -5.404 4.828 1.00 1.00 S ATOM 8 CE MET X 1 68.594 -6.981 4.887 1.00 1.00 C ATOM 0 H1 MET X 1 72.933 -5.356 1.487 1.00 1.00 H new ATOM 0 H2 MET X 1 72.206 -5.358 -0.047 1.00 1.00 H new ATOM 0 H3 MET X 1 71.466 -4.537 1.242 1.00 1.00 H new ATOM 0 HA MET X 1 71.958 -7.329 1.788 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.582 -5.423 1.958 1.00 1.00 H new ATOM 0 HB3 MET X 1 69.483 -7.107 2.430 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.313 -6.786 4.085 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.520 -5.124 3.569 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.265 -7.176 5.908 1.00 1.00 H new ATOM 0 HE2 MET X 1 67.726 -6.936 4.229 1.00 1.00 H new ATOM 0 HE3 MET X 1 69.256 -7.783 4.560 1.00 1.00 H new ATOM 20 N GLY X 2 69.737 -8.122 0.225 1.00 1.00 N ATOM 21 CA GLY X 2 69.097 -8.745 -0.968 1.00 1.00 C ATOM 22 C GLY X 2 69.802 -10.061 -1.299 1.00 1.00 C ATOM 23 O GLY X 2 69.446 -10.749 -2.236 1.00 1.00 O ATOM 0 H GLY X 2 69.397 -8.459 1.126 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.040 -8.926 -0.773 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.153 -8.067 -1.819 1.00 1.00 H new ATOM 27 N GLN X 3 70.799 -10.419 -0.538 1.00 1.00 N ATOM 28 CA GLN X 3 71.532 -11.687 -0.814 1.00 1.00 C ATOM 29 C GLN X 3 71.628 -12.513 0.471 1.00 1.00 C ATOM 30 O GLN X 3 71.450 -12.005 1.560 1.00 1.00 O ATOM 31 CB GLN X 3 72.939 -11.363 -1.320 1.00 1.00 C ATOM 32 CG GLN X 3 72.848 -10.693 -2.693 1.00 1.00 C ATOM 33 CD GLN X 3 74.242 -10.247 -3.138 1.00 1.00 C ATOM 34 OE1 GLN X 3 74.872 -9.440 -2.483 1.00 1.00 O ATOM 35 NE2 GLN X 3 74.753 -10.740 -4.232 1.00 1.00 N ATOM 0 H GLN X 3 71.138 -9.888 0.264 1.00 1.00 H new ATOM 0 HA GLN X 3 70.996 -12.258 -1.572 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.447 -10.705 -0.616 1.00 1.00 H new ATOM 0 HB3 GLN X 3 73.531 -12.275 -1.388 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.427 -11.387 -3.421 1.00 1.00 H new ATOM 0 HG3 GLN X 3 72.178 -9.835 -2.647 1.00 1.00 H new ATOM 0 HE21 GLN X 3 74.224 -11.417 -4.782 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.681 -10.448 -4.538 1.00 1.00 H new ATOM 44 N GLU X 4 71.908 -13.781 0.352 1.00 1.00 N ATOM 45 CA GLU X 4 72.020 -14.637 1.568 1.00 1.00 C ATOM 46 C GLU X 4 73.029 -14.017 2.538 1.00 1.00 C ATOM 47 O GLU X 4 74.123 -13.650 2.161 1.00 1.00 O ATOM 48 CB GLU X 4 72.494 -16.035 1.165 1.00 1.00 C ATOM 49 CG GLU X 4 71.398 -16.734 0.361 1.00 1.00 C ATOM 50 CD GLU X 4 71.886 -18.117 -0.074 1.00 1.00 C ATOM 51 OE1 GLU X 4 73.004 -18.463 0.270 1.00 1.00 O ATOM 52 OE2 GLU X 4 71.135 -18.805 -0.744 1.00 1.00 O ATOM 0 H GLU X 4 72.064 -14.262 -0.534 1.00 1.00 H new ATOM 0 HA GLU X 4 71.046 -14.708 2.053 1.00 1.00 H new ATOM 0 HB2 GLU X 4 73.406 -15.964 0.572 1.00 1.00 H new ATOM 0 HB3 GLU X 4 72.736 -16.618 2.053 1.00 1.00 H new ATOM 0 HG2 GLU X 4 70.495 -16.829 0.964 1.00 1.00 H new ATOM 0 HG3 GLU X 4 71.137 -16.137 -0.513 1.00 1.00 H new ATOM 59 N LEU X 5 72.667 -13.896 3.786 1.00 1.00 N ATOM 60 CA LEU X 5 73.607 -13.306 4.781 1.00 1.00 C ATOM 61 C LEU X 5 74.334 -14.429 5.525 1.00 1.00 C ATOM 62 O LEU X 5 73.776 -15.079 6.386 1.00 1.00 O ATOM 63 CB LEU X 5 72.824 -12.453 5.782 1.00 1.00 C ATOM 64 CG LEU X 5 72.222 -11.245 5.064 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.269 -10.512 6.008 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.346 -10.297 4.636 1.00 1.00 C ATOM 0 H LEU X 5 71.761 -14.180 4.160 1.00 1.00 H new ATOM 0 HA LEU X 5 74.336 -12.681 4.265 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.034 -13.047 6.242 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.482 -12.121 6.585 1.00 1.00 H new ATOM 0 HG LEU X 5 71.673 -11.581 4.184 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.840 -9.651 5.496 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.470 -11.187 6.314 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.817 -10.175 6.888 1.00 1.00 H new ATOM 0 HD21 LEU X 5 72.919 -9.435 4.124 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.894 -9.961 5.516 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.026 -10.819 3.963 1.00 1.00 H new ATOM 78 N SER X 6 75.577 -14.660 5.199 1.00 1.00 N ATOM 79 CA SER X 6 76.342 -15.737 5.889 1.00 1.00 C ATOM 80 C SER X 6 76.784 -15.248 7.269 1.00 1.00 C ATOM 81 O SER X 6 76.664 -14.083 7.593 1.00 1.00 O ATOM 82 CB SER X 6 77.573 -16.100 5.059 1.00 1.00 C ATOM 83 OG SER X 6 78.301 -14.915 4.757 1.00 1.00 O ATOM 0 H SER X 6 76.096 -14.149 4.484 1.00 1.00 H new ATOM 0 HA SER X 6 75.707 -16.616 6.002 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.204 -16.798 5.609 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.271 -16.600 4.139 1.00 1.00 H new ATOM 0 HG SER X 6 78.234 -14.725 3.798 1.00 1.00 H new ATOM 89 N GLN X 7 77.295 -16.128 8.086 1.00 1.00 N ATOM 90 CA GLN X 7 77.739 -15.713 9.447 1.00 1.00 C ATOM 91 C GLN X 7 78.656 -14.492 9.332 1.00 1.00 C ATOM 92 O GLN X 7 78.548 -13.550 10.091 1.00 1.00 O ATOM 93 CB GLN X 7 78.501 -16.862 10.110 1.00 1.00 C ATOM 94 CG GLN X 7 77.540 -18.018 10.395 1.00 1.00 C ATOM 95 CD GLN X 7 78.322 -19.211 10.946 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.512 -19.119 11.173 1.00 1.00 O ATOM 97 NE2 GLN X 7 77.700 -20.336 11.175 1.00 1.00 N ATOM 0 H GLN X 7 77.424 -17.116 7.870 1.00 1.00 H new ATOM 0 HA GLN X 7 76.868 -15.460 10.052 1.00 1.00 H new ATOM 0 HB2 GLN X 7 79.309 -17.199 9.460 1.00 1.00 H new ATOM 0 HB3 GLN X 7 78.960 -16.520 11.038 1.00 1.00 H new ATOM 0 HG2 GLN X 7 76.781 -17.705 11.112 1.00 1.00 H new ATOM 0 HG3 GLN X 7 77.017 -18.303 9.482 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.701 -20.414 10.985 1.00 1.00 H new ATOM 0 HE22 GLN X 7 78.213 -21.137 11.544 1.00 1.00 H new ATOM 106 N HIS X 8 79.556 -14.503 8.388 1.00 1.00 N ATOM 107 CA HIS X 8 80.478 -13.343 8.223 1.00 1.00 C ATOM 108 C HIS X 8 79.686 -12.125 7.743 1.00 1.00 C ATOM 109 O HIS X 8 79.803 -11.043 8.285 1.00 1.00 O ATOM 110 CB HIS X 8 81.554 -13.689 7.194 1.00 1.00 C ATOM 111 CG HIS X 8 82.503 -12.530 7.050 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.590 -12.356 7.895 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.542 -11.481 6.166 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.232 -11.239 7.506 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.634 -10.671 6.457 1.00 1.00 N ATOM 0 H HIS X 8 79.693 -15.265 7.724 1.00 1.00 H new ATOM 0 HA HIS X 8 80.949 -13.116 9.179 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.097 -14.581 7.506 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.093 -13.917 6.233 1.00 1.00 H new ATOM 0 HD2 HIS X 8 81.834 -11.311 5.368 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.120 -10.851 7.983 1.00 1.00 H new ATOM 0 HE2 HIS X 8 83.918 -9.821 5.971 1.00 1.00 H new ATOM 123 N GLU X 9 78.881 -12.291 6.729 1.00 1.00 N ATOM 124 CA GLU X 9 78.089 -11.139 6.213 1.00 1.00 C ATOM 125 C GLU X 9 77.166 -10.620 7.317 1.00 1.00 C ATOM 126 O GLU X 9 76.929 -9.434 7.436 1.00 1.00 O ATOM 127 CB GLU X 9 77.250 -11.594 5.016 1.00 1.00 C ATOM 128 CG GLU X 9 78.172 -11.934 3.845 1.00 1.00 C ATOM 129 CD GLU X 9 77.334 -12.414 2.658 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.120 -12.429 2.783 1.00 1.00 O ATOM 131 OE2 GLU X 9 77.920 -12.758 1.645 1.00 1.00 O ATOM 0 H GLU X 9 78.738 -13.173 6.237 1.00 1.00 H new ATOM 0 HA GLU X 9 78.765 -10.342 5.901 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.653 -12.465 5.287 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.553 -10.807 4.727 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.755 -11.058 3.561 1.00 1.00 H new ATOM 0 HG3 GLU X 9 78.881 -12.708 4.139 1.00 1.00 H new ATOM 138 N ARG X 10 76.646 -11.500 8.129 1.00 1.00 N ATOM 139 CA ARG X 10 75.742 -11.058 9.230 1.00 1.00 C ATOM 140 C ARG X 10 76.500 -10.119 10.169 1.00 1.00 C ATOM 141 O ARG X 10 75.975 -9.122 10.621 1.00 1.00 O ATOM 142 CB ARG X 10 75.259 -12.281 10.012 1.00 1.00 C ATOM 143 CG ARG X 10 74.180 -13.010 9.208 1.00 1.00 C ATOM 144 CD ARG X 10 73.746 -14.271 9.959 1.00 1.00 C ATOM 145 NE ARG X 10 72.711 -14.991 9.166 1.00 1.00 N ATOM 146 CZ ARG X 10 72.187 -16.094 9.625 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.570 -16.567 10.779 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.281 -16.726 8.930 1.00 1.00 N ATOM 0 H ARG X 10 76.808 -12.506 8.078 1.00 1.00 H new ATOM 0 HA ARG X 10 74.885 -10.533 8.808 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.095 -12.952 10.210 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.861 -11.973 10.979 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.323 -12.354 9.052 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.563 -13.275 8.222 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.605 -14.920 10.129 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.349 -14.005 10.939 1.00 1.00 H new ATOM 0 HE ARG X 10 72.412 -14.621 8.264 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.279 -16.074 11.322 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.160 -17.429 11.138 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.982 -16.358 8.027 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.872 -17.588 9.290 1.00 1.00 H new ATOM 162 N TYR X 11 77.732 -10.430 10.469 1.00 1.00 N ATOM 163 CA TYR X 11 78.527 -9.541 11.360 1.00 1.00 C ATOM 164 C TYR X 11 78.675 -8.165 10.707 1.00 1.00 C ATOM 165 O TYR X 11 78.670 -7.148 11.372 1.00 1.00 O ATOM 166 CB TYR X 11 79.912 -10.149 11.586 1.00 1.00 C ATOM 167 CG TYR X 11 80.777 -9.167 12.341 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.557 -8.946 13.706 1.00 1.00 C ATOM 169 CD2 TYR X 11 81.798 -8.478 11.675 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.359 -8.036 14.406 1.00 1.00 C ATOM 171 CE2 TYR X 11 82.599 -7.568 12.375 1.00 1.00 C ATOM 172 CZ TYR X 11 82.380 -7.347 13.740 1.00 1.00 C ATOM 173 OH TYR X 11 83.170 -6.450 14.431 1.00 1.00 O ATOM 0 H TYR X 11 78.221 -11.261 10.135 1.00 1.00 H new ATOM 0 HA TYR X 11 78.016 -9.437 12.317 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.825 -11.079 12.147 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.373 -10.395 10.630 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.769 -9.477 14.219 1.00 1.00 H new ATOM 0 HD2 TYR X 11 81.967 -8.649 10.622 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.190 -7.866 15.459 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.386 -7.036 11.862 1.00 1.00 H new ATOM 0 HH TYR X 11 83.831 -6.059 13.822 1.00 1.00 H new ATOM 183 N VAL X 12 78.808 -8.124 9.409 1.00 1.00 N ATOM 184 CA VAL X 12 78.957 -6.812 8.719 1.00 1.00 C ATOM 185 C VAL X 12 77.719 -5.957 8.987 1.00 1.00 C ATOM 186 O VAL X 12 77.816 -4.785 9.295 1.00 1.00 O ATOM 187 CB VAL X 12 79.099 -7.039 7.213 1.00 1.00 C ATOM 188 CG1 VAL X 12 79.312 -5.697 6.513 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.303 -7.948 6.948 1.00 1.00 C ATOM 0 H VAL X 12 78.820 -8.941 8.798 1.00 1.00 H new ATOM 0 HA VAL X 12 79.844 -6.302 9.095 1.00 1.00 H new ATOM 0 HB VAL X 12 78.194 -7.510 6.829 1.00 1.00 H new ATOM 0 HG11 VAL X 12 79.413 -5.858 5.440 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.457 -5.048 6.703 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.218 -5.226 6.896 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.406 -8.111 5.875 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.207 -7.475 7.332 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.153 -8.905 7.448 1.00 1.00 H new ATOM 199 N GLU X 13 76.554 -6.533 8.871 1.00 1.00 N ATOM 200 CA GLU X 13 75.311 -5.752 9.117 1.00 1.00 C ATOM 201 C GLU X 13 75.358 -5.152 10.523 1.00 1.00 C ATOM 202 O GLU X 13 75.062 -3.991 10.722 1.00 1.00 O ATOM 203 CB GLU X 13 74.096 -6.674 8.996 1.00 1.00 C ATOM 204 CG GLU X 13 72.815 -5.855 9.174 1.00 1.00 C ATOM 205 CD GLU X 13 71.598 -6.749 8.927 1.00 1.00 C ATOM 206 OE1 GLU X 13 71.759 -7.772 8.281 1.00 1.00 O ATOM 207 OE2 GLU X 13 70.525 -6.396 9.387 1.00 1.00 O ATOM 0 H GLU X 13 76.410 -7.510 8.617 1.00 1.00 H new ATOM 0 HA GLU X 13 75.233 -4.951 8.382 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.094 -7.165 8.023 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.146 -7.460 9.750 1.00 1.00 H new ATOM 0 HG2 GLU X 13 72.775 -5.438 10.180 1.00 1.00 H new ATOM 0 HG3 GLU X 13 72.809 -5.015 8.480 1.00 1.00 H new ATOM 214 N GLN X 14 75.729 -5.933 11.501 1.00 1.00 N ATOM 215 CA GLN X 14 75.806 -5.394 12.887 1.00 1.00 C ATOM 216 C GLN X 14 76.845 -4.275 12.926 1.00 1.00 C ATOM 217 O GLN X 14 76.672 -3.274 13.593 1.00 1.00 O ATOM 218 CB GLN X 14 76.221 -6.510 13.849 1.00 1.00 C ATOM 219 CG GLN X 14 76.349 -5.943 15.264 1.00 1.00 C ATOM 220 CD GLN X 14 76.608 -7.085 16.251 1.00 1.00 C ATOM 221 OE1 GLN X 14 76.369 -8.236 15.942 1.00 1.00 O ATOM 222 NE2 GLN X 14 77.090 -6.814 17.432 1.00 1.00 N ATOM 0 H GLN X 14 75.981 -6.916 11.400 1.00 1.00 H new ATOM 0 HA GLN X 14 74.832 -5.006 13.187 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.483 -7.312 13.833 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.170 -6.943 13.532 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.164 -5.221 15.305 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.438 -5.411 15.538 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.291 -5.848 17.692 1.00 1.00 H new ATOM 0 HE22 GLN X 14 77.266 -7.568 18.096 1.00 1.00 H new ATOM 231 N LEU X 15 77.932 -4.439 12.223 1.00 1.00 N ATOM 232 CA LEU X 15 78.983 -3.386 12.227 1.00 1.00 C ATOM 233 C LEU X 15 78.390 -2.097 11.657 1.00 1.00 C ATOM 234 O LEU X 15 78.611 -1.017 12.169 1.00 1.00 O ATOM 235 CB LEU X 15 80.161 -3.835 11.361 1.00 1.00 C ATOM 236 CG LEU X 15 81.215 -2.728 11.323 1.00 1.00 C ATOM 237 CD1 LEU X 15 81.681 -2.417 12.745 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.409 -3.195 10.487 1.00 1.00 C ATOM 0 H LEU X 15 78.136 -5.256 11.647 1.00 1.00 H new ATOM 0 HA LEU X 15 79.333 -3.215 13.245 1.00 1.00 H new ATOM 0 HB2 LEU X 15 80.594 -4.751 11.763 1.00 1.00 H new ATOM 0 HB3 LEU X 15 79.819 -4.061 10.351 1.00 1.00 H new ATOM 0 HG LEU X 15 80.785 -1.831 10.878 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.432 -1.628 12.717 1.00 1.00 H new ATOM 0 HD12 LEU X 15 80.831 -2.088 13.343 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.113 -3.313 13.191 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.163 -2.408 10.458 1.00 1.00 H new ATOM 0 HD22 LEU X 15 82.838 -4.092 10.934 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.078 -3.418 9.473 1.00 1.00 H new ATOM 250 N LYS X 16 77.637 -2.204 10.594 1.00 1.00 N ATOM 251 CA LYS X 16 77.029 -0.991 9.981 1.00 1.00 C ATOM 252 C LYS X 16 76.100 -0.320 10.992 1.00 1.00 C ATOM 253 O LYS X 16 76.033 0.891 11.079 1.00 1.00 O ATOM 254 CB LYS X 16 76.227 -1.394 8.741 1.00 1.00 C ATOM 255 CG LYS X 16 75.684 -0.139 8.056 1.00 1.00 C ATOM 256 CD LYS X 16 74.949 -0.536 6.774 1.00 1.00 C ATOM 257 CE LYS X 16 74.423 0.718 6.077 1.00 1.00 C ATOM 258 NZ LYS X 16 73.720 0.332 4.821 1.00 1.00 N ATOM 0 H LYS X 16 77.417 -3.082 10.124 1.00 1.00 H new ATOM 0 HA LYS X 16 77.817 -0.295 9.694 1.00 1.00 H new ATOM 0 HB2 LYS X 16 76.859 -1.953 8.051 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.405 -2.052 9.024 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.007 0.391 8.727 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.501 0.544 7.823 1.00 1.00 H new ATOM 0 HD2 LYS X 16 75.622 -1.079 6.110 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.123 -1.207 7.009 1.00 1.00 H new ATOM 0 HE2 LYS X 16 73.742 1.255 6.737 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.248 1.394 5.851 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.362 1.186 4.347 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.383 -0.162 4.190 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 72.924 -0.297 5.048 1.00 1.00 H new ATOM 272 N GLN X 17 75.379 -1.094 11.756 1.00 1.00 N ATOM 273 CA GLN X 17 74.455 -0.492 12.758 1.00 1.00 C ATOM 274 C GLN X 17 75.261 0.369 13.729 1.00 1.00 C ATOM 275 O GLN X 17 74.902 1.491 14.027 1.00 1.00 O ATOM 276 CB GLN X 17 73.743 -1.605 13.530 1.00 1.00 C ATOM 277 CG GLN X 17 72.714 -2.280 12.621 1.00 1.00 C ATOM 278 CD GLN X 17 72.041 -3.429 13.375 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.706 -4.325 13.859 1.00 1.00 O ATOM 280 NE2 GLN X 17 70.743 -3.442 13.495 1.00 1.00 N ATOM 0 H GLN X 17 75.390 -2.114 11.730 1.00 1.00 H new ATOM 0 HA GLN X 17 73.714 0.125 12.250 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.468 -2.338 13.883 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.251 -1.193 14.411 1.00 1.00 H new ATOM 0 HG2 GLN X 17 71.966 -1.555 12.299 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.200 -2.657 11.721 1.00 1.00 H new ATOM 0 HE21 GLN X 17 70.186 -2.690 13.089 1.00 1.00 H new ATOM 0 HE22 GLN X 17 70.285 -4.204 13.995 1.00 1.00 H new ATOM 289 N ALA X 18 76.352 -0.149 14.226 1.00 1.00 N ATOM 290 CA ALA X 18 77.183 0.636 15.180 1.00 1.00 C ATOM 291 C ALA X 18 77.753 1.863 14.468 1.00 1.00 C ATOM 292 O ALA X 18 77.829 2.938 15.027 1.00 1.00 O ATOM 293 CB ALA X 18 78.331 -0.234 15.694 1.00 1.00 C ATOM 0 H ALA X 18 76.703 -1.082 14.012 1.00 1.00 H new ATOM 0 HA ALA X 18 76.567 0.956 16.020 1.00 1.00 H new ATOM 0 HB1 ALA X 18 78.939 0.341 16.392 1.00 1.00 H new ATOM 0 HB2 ALA X 18 77.925 -1.109 16.202 1.00 1.00 H new ATOM 0 HB3 ALA X 18 78.948 -0.555 14.855 1.00 1.00 H new ATOM 299 N LEU X 19 78.153 1.711 13.235 1.00 1.00 N ATOM 300 CA LEU X 19 78.710 2.872 12.487 1.00 1.00 C ATOM 301 C LEU X 19 77.601 3.898 12.251 1.00 1.00 C ATOM 302 O LEU X 19 77.810 5.090 12.363 1.00 1.00 O ATOM 303 CB LEU X 19 79.263 2.397 11.142 1.00 1.00 C ATOM 304 CG LEU X 19 80.473 1.490 11.377 1.00 1.00 C ATOM 305 CD1 LEU X 19 80.930 0.889 10.047 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.614 2.312 11.982 1.00 1.00 C ATOM 0 H LEU X 19 78.118 0.834 12.715 1.00 1.00 H new ATOM 0 HA LEU X 19 79.513 3.328 13.065 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.493 1.858 10.591 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.551 3.254 10.532 1.00 1.00 H new ATOM 0 HG LEU X 19 80.197 0.688 12.061 1.00 1.00 H new ATOM 0 HD11 LEU X 19 81.792 0.243 10.216 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.118 0.304 9.614 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.206 1.690 9.361 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.477 1.668 12.150 1.00 1.00 H new ATOM 0 HD22 LEU X 19 81.888 3.114 11.296 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.291 2.740 12.931 1.00 1.00 H new ATOM 318 N LYS X 20 76.421 3.445 11.925 1.00 1.00 N ATOM 319 CA LYS X 20 75.301 4.395 11.678 1.00 1.00 C ATOM 320 C LYS X 20 75.095 5.265 12.919 1.00 1.00 C ATOM 321 O LYS X 20 74.884 6.457 12.827 1.00 1.00 O ATOM 322 CB LYS X 20 74.022 3.608 11.387 1.00 1.00 C ATOM 323 CG LYS X 20 72.896 4.580 11.022 1.00 1.00 C ATOM 324 CD LYS X 20 71.643 3.791 10.638 1.00 1.00 C ATOM 325 CE LYS X 20 70.523 4.762 10.262 1.00 1.00 C ATOM 326 NZ LYS X 20 69.325 3.992 9.822 1.00 1.00 N ATOM 0 H LYS X 20 76.185 2.458 11.819 1.00 1.00 H new ATOM 0 HA LYS X 20 75.539 5.029 10.823 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.191 2.908 10.569 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.739 3.018 12.259 1.00 1.00 H new ATOM 0 HG2 LYS X 20 72.681 5.236 11.865 1.00 1.00 H new ATOM 0 HG3 LYS X 20 73.206 5.217 10.193 1.00 1.00 H new ATOM 0 HD2 LYS X 20 71.860 3.128 9.800 1.00 1.00 H new ATOM 0 HD3 LYS X 20 71.328 3.161 11.470 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.271 5.391 11.116 1.00 1.00 H new ATOM 0 HE3 LYS X 20 70.855 5.426 9.464 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 68.563 4.652 9.566 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 69.571 3.410 8.996 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.004 3.376 10.596 1.00 1.00 H new ATOM 340 N THR X 21 75.156 4.674 14.081 1.00 1.00 N ATOM 341 CA THR X 21 74.942 5.460 15.327 1.00 1.00 C ATOM 342 C THR X 21 76.068 6.485 15.478 1.00 1.00 C ATOM 343 O THR X 21 75.864 7.576 15.974 1.00 1.00 O ATOM 344 CB THR X 21 74.947 4.517 16.532 1.00 1.00 C ATOM 345 OG1 THR X 21 76.196 3.843 16.599 1.00 1.00 O ATOM 346 CG2 THR X 21 73.820 3.492 16.384 1.00 1.00 C ATOM 0 H THR X 21 75.345 3.681 14.220 1.00 1.00 H new ATOM 0 HA THR X 21 73.983 5.975 15.274 1.00 1.00 H new ATOM 0 HB THR X 21 74.795 5.093 17.445 1.00 1.00 H new ATOM 0 HG1 THR X 21 76.592 3.798 15.704 1.00 1.00 H new ATOM 0 HG21 THR X 21 73.824 2.820 17.243 1.00 1.00 H new ATOM 0 HG22 THR X 21 72.862 4.009 16.332 1.00 1.00 H new ATOM 0 HG23 THR X 21 73.970 2.915 15.471 1.00 1.00 H new ATOM 354 N ARG X 22 77.254 6.146 15.051 1.00 1.00 N ATOM 355 CA ARG X 22 78.388 7.104 15.170 1.00 1.00 C ATOM 356 C ARG X 22 78.184 8.249 14.178 1.00 1.00 C ATOM 357 O ARG X 22 78.789 9.297 14.292 1.00 1.00 O ATOM 358 CB ARG X 22 79.699 6.381 14.851 1.00 1.00 C ATOM 359 CG ARG X 22 79.988 5.347 15.940 1.00 1.00 C ATOM 360 CD ARG X 22 81.305 4.632 15.629 1.00 1.00 C ATOM 361 NE ARG X 22 81.584 3.619 16.686 1.00 1.00 N ATOM 362 CZ ARG X 22 82.680 2.912 16.642 1.00 1.00 C ATOM 363 NH1 ARG X 22 83.532 3.086 15.668 1.00 1.00 N ATOM 364 NH2 ARG X 22 82.924 2.028 17.570 1.00 1.00 N ATOM 0 H ARG X 22 77.486 5.248 14.626 1.00 1.00 H new ATOM 0 HA ARG X 22 78.430 7.501 16.184 1.00 1.00 H new ATOM 0 HB2 ARG X 22 79.630 5.892 13.879 1.00 1.00 H new ATOM 0 HB3 ARG X 22 80.517 7.099 14.789 1.00 1.00 H new ATOM 0 HG2 ARG X 22 80.048 5.835 16.913 1.00 1.00 H new ATOM 0 HG3 ARG X 22 79.174 4.624 15.995 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.247 4.149 14.654 1.00 1.00 H new ATOM 0 HD3 ARG X 22 82.120 5.354 15.579 1.00 1.00 H new ATOM 0 HE ARG X 22 80.917 3.478 17.445 1.00 1.00 H new ATOM 0 HH11 ARG X 22 83.341 3.775 14.941 1.00 1.00 H new ATOM 0 HH12 ARG X 22 84.388 2.533 15.635 1.00 1.00 H new ATOM 0 HH21 ARG X 22 82.258 1.889 18.330 1.00 1.00 H new ATOM 0 HH22 ARG X 22 83.781 1.475 17.535 1.00 1.00 H new ATOM 378 N GLY X 23 77.341 8.058 13.201 1.00 1.00 N ATOM 379 CA GLY X 23 77.098 9.141 12.208 1.00 1.00 C ATOM 380 C GLY X 23 77.583 8.683 10.833 1.00 1.00 C ATOM 381 O GLY X 23 78.288 9.394 10.143 1.00 1.00 O ATOM 0 H GLY X 23 76.811 7.200 13.048 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.036 9.383 12.170 1.00 1.00 H new ATOM 0 HA3 GLY X 23 77.622 10.049 12.507 1.00 1.00 H new ATOM 385 N VAL X 24 77.211 7.500 10.428 1.00 1.00 N ATOM 386 CA VAL X 24 77.649 6.995 9.095 1.00 1.00 C ATOM 387 C VAL X 24 76.420 6.663 8.249 1.00 1.00 C ATOM 388 O VAL X 24 75.491 6.028 8.708 1.00 1.00 O ATOM 389 CB VAL X 24 78.496 5.735 9.282 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.763 5.093 7.919 1.00 1.00 C ATOM 391 CG2 VAL X 24 79.827 6.109 9.937 1.00 1.00 C ATOM 0 H VAL X 24 76.623 6.861 10.962 1.00 1.00 H new ATOM 0 HA VAL X 24 78.241 7.759 8.592 1.00 1.00 H new ATOM 0 HB VAL X 24 77.962 5.029 9.918 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.367 4.195 8.052 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.816 4.827 7.450 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.297 5.799 7.283 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.431 5.212 10.071 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.361 6.814 9.300 1.00 1.00 H new ATOM 0 HG23 VAL X 24 79.639 6.568 10.908 1.00 1.00 H new ATOM 401 N LYS X 25 76.404 7.087 7.015 1.00 1.00 N ATOM 402 CA LYS X 25 75.225 6.806 6.150 1.00 1.00 C ATOM 403 C LYS X 25 75.706 6.260 4.805 1.00 1.00 C ATOM 404 O LYS X 25 76.106 7.002 3.930 1.00 1.00 O ATOM 405 CB LYS X 25 74.438 8.099 5.925 1.00 1.00 C ATOM 406 CG LYS X 25 73.930 8.629 7.268 1.00 1.00 C ATOM 407 CD LYS X 25 73.138 9.918 7.042 1.00 1.00 C ATOM 408 CE LYS X 25 72.694 10.487 8.391 1.00 1.00 C ATOM 409 NZ LYS X 25 71.790 9.515 9.068 1.00 1.00 N ATOM 0 H LYS X 25 77.155 7.615 6.570 1.00 1.00 H new ATOM 0 HA LYS X 25 74.582 6.071 6.634 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.072 8.844 5.445 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.599 7.914 5.254 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.299 7.882 7.751 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.769 8.818 7.937 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.752 10.646 6.512 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.269 9.718 6.416 1.00 1.00 H new ATOM 0 HE2 LYS X 25 73.564 10.688 9.017 1.00 1.00 H new ATOM 0 HE3 LYS X 25 72.180 11.437 8.245 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.266 9.998 9.826 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 71.118 9.126 8.376 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 72.354 8.742 9.476 1.00 1.00 H new ATOM 423 N VAL X 26 75.673 4.967 4.635 1.00 1.00 N ATOM 424 CA VAL X 26 76.136 4.372 3.350 1.00 1.00 C ATOM 425 C VAL X 26 75.163 3.271 2.921 1.00 1.00 C ATOM 426 O VAL X 26 74.373 2.785 3.708 1.00 1.00 O ATOM 427 CB VAL X 26 77.532 3.777 3.536 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.515 4.887 3.915 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.493 2.729 4.650 1.00 1.00 C ATOM 0 H VAL X 26 75.345 4.297 5.331 1.00 1.00 H new ATOM 0 HA VAL X 26 76.172 5.145 2.583 1.00 1.00 H new ATOM 0 HB VAL X 26 77.855 3.309 2.606 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.510 4.462 4.047 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.542 5.635 3.123 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.194 5.356 4.845 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.487 2.303 4.784 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.170 3.198 5.580 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.793 1.938 4.381 1.00 1.00 H new ATOM 439 N LYS X 27 75.214 2.875 1.679 1.00 1.00 N ATOM 440 CA LYS X 27 74.291 1.809 1.198 1.00 1.00 C ATOM 441 C LYS X 27 74.816 0.442 1.639 1.00 1.00 C ATOM 442 O LYS X 27 76.007 0.234 1.759 1.00 1.00 O ATOM 443 CB LYS X 27 74.209 1.856 -0.330 1.00 1.00 C ATOM 444 CG LYS X 27 73.603 3.190 -0.770 1.00 1.00 C ATOM 445 CD LYS X 27 73.540 3.245 -2.297 1.00 1.00 C ATOM 446 CE LYS X 27 72.971 4.596 -2.737 1.00 1.00 C ATOM 447 NZ LYS X 27 71.534 4.678 -2.352 1.00 1.00 N ATOM 0 H LYS X 27 75.855 3.244 0.976 1.00 1.00 H new ATOM 0 HA LYS X 27 73.299 1.970 1.620 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.203 1.736 -0.762 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.600 1.030 -0.697 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.603 3.303 -0.350 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.204 4.017 -0.391 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.535 3.103 -2.718 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.916 2.435 -2.675 1.00 1.00 H new ATOM 0 HE2 LYS X 27 73.530 5.407 -2.271 1.00 1.00 H new ATOM 0 HE3 LYS X 27 73.077 4.714 -3.815 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.075 5.443 -2.886 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 71.065 3.775 -2.567 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.458 4.873 -1.333 1.00 1.00 H new ATOM 461 N TYR X 28 73.939 -0.492 1.881 1.00 1.00 N ATOM 462 CA TYR X 28 74.392 -1.843 2.310 1.00 1.00 C ATOM 463 C TYR X 28 75.210 -2.481 1.186 1.00 1.00 C ATOM 464 O TYR X 28 76.241 -3.081 1.419 1.00 1.00 O ATOM 465 CB TYR X 28 73.175 -2.718 2.619 1.00 1.00 C ATOM 466 CG TYR X 28 72.445 -2.164 3.819 1.00 1.00 C ATOM 467 CD1 TYR X 28 71.622 -1.040 3.683 1.00 1.00 C ATOM 468 CD2 TYR X 28 72.591 -2.776 5.071 1.00 1.00 C ATOM 469 CE1 TYR X 28 70.945 -0.527 4.797 1.00 1.00 C ATOM 470 CE2 TYR X 28 71.914 -2.263 6.185 1.00 1.00 C ATOM 471 CZ TYR X 28 71.091 -1.139 6.047 1.00 1.00 C ATOM 472 OH TYR X 28 70.425 -0.634 7.145 1.00 1.00 O ATOM 0 H TYR X 28 72.929 -0.378 1.800 1.00 1.00 H new ATOM 0 HA TYR X 28 75.008 -1.755 3.205 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.508 -2.749 1.757 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.491 -3.743 2.814 1.00 1.00 H new ATOM 0 HD1 TYR X 28 71.509 -0.568 2.718 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.226 -3.643 5.177 1.00 1.00 H new ATOM 0 HE1 TYR X 28 70.311 0.341 4.691 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.027 -2.735 7.150 1.00 1.00 H new ATOM 0 HH TYR X 28 70.635 -1.177 7.933 1.00 1.00 H new ATOM 482 N ALA X 29 74.758 -2.355 -0.031 1.00 1.00 N ATOM 483 CA ALA X 29 75.502 -2.963 -1.170 1.00 1.00 C ATOM 484 C ALA X 29 76.955 -2.486 -1.142 1.00 1.00 C ATOM 485 O ALA X 29 77.861 -3.204 -1.516 1.00 1.00 O ATOM 486 CB ALA X 29 74.852 -2.540 -2.489 1.00 1.00 C ATOM 0 H ALA X 29 73.905 -1.857 -0.286 1.00 1.00 H new ATOM 0 HA ALA X 29 75.474 -4.049 -1.083 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.396 -2.985 -3.322 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.816 -2.880 -2.510 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.880 -1.454 -2.576 1.00 1.00 H new ATOM 492 N ASP X 30 77.184 -1.280 -0.700 1.00 1.00 N ATOM 493 CA ASP X 30 78.578 -0.757 -0.653 1.00 1.00 C ATOM 494 C ASP X 30 79.418 -1.633 0.277 1.00 1.00 C ATOM 495 O ASP X 30 80.561 -1.935 -0.002 1.00 1.00 O ATOM 496 CB ASP X 30 78.568 0.679 -0.128 1.00 1.00 C ATOM 497 CG ASP X 30 79.918 1.338 -0.416 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.904 0.622 -0.470 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.942 2.547 -0.579 1.00 1.00 O ATOM 0 H ASP X 30 76.466 -0.635 -0.370 1.00 1.00 H new ATOM 0 HA ASP X 30 79.006 -0.774 -1.655 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.767 1.245 -0.603 1.00 1.00 H new ATOM 0 HB3 ASP X 30 78.370 0.684 0.944 1.00 1.00 H new ATOM 504 N LEU X 31 78.860 -2.046 1.382 1.00 1.00 N ATOM 505 CA LEU X 31 79.627 -2.904 2.328 1.00 1.00 C ATOM 506 C LEU X 31 80.000 -4.215 1.636 1.00 1.00 C ATOM 507 O LEU X 31 81.123 -4.674 1.714 1.00 1.00 O ATOM 508 CB LEU X 31 78.767 -3.202 3.558 1.00 1.00 C ATOM 509 CG LEU X 31 78.889 -2.050 4.557 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.310 -2.009 5.120 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.583 -0.729 3.848 1.00 1.00 C ATOM 0 H LEU X 31 77.907 -1.826 1.670 1.00 1.00 H new ATOM 0 HA LEU X 31 80.534 -2.385 2.637 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.726 -3.333 3.264 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.087 -4.135 4.022 1.00 1.00 H new ATOM 0 HG LEU X 31 78.181 -2.199 5.372 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.396 -1.188 5.832 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.529 -2.950 5.624 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.020 -1.860 4.306 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.669 0.094 4.558 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.292 -0.581 3.033 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.570 -0.757 3.447 1.00 1.00 H new ATOM 523 N LEU X 32 79.067 -4.826 0.958 1.00 1.00 N ATOM 524 CA LEU X 32 79.370 -6.102 0.252 1.00 1.00 C ATOM 525 C LEU X 32 80.421 -5.847 -0.829 1.00 1.00 C ATOM 526 O LEU X 32 81.335 -6.625 -1.015 1.00 1.00 O ATOM 527 CB LEU X 32 78.093 -6.645 -0.393 1.00 1.00 C ATOM 528 CG LEU X 32 77.102 -7.054 0.699 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.774 -7.461 0.057 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.671 -8.236 1.485 1.00 1.00 C ATOM 0 H LEU X 32 78.107 -4.496 0.863 1.00 1.00 H new ATOM 0 HA LEU X 32 79.753 -6.831 0.966 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.648 -5.887 -1.037 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.328 -7.502 -1.025 1.00 1.00 H new ATOM 0 HG LEU X 32 76.937 -6.214 1.373 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.068 -7.752 0.835 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.368 -6.619 -0.505 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.938 -8.302 -0.617 1.00 1.00 H new ATOM 0 HD21 LEU X 32 76.966 -8.528 2.263 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.836 -9.076 0.810 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.617 -7.947 1.942 1.00 1.00 H new ATOM 542 N LYS X 33 80.300 -4.763 -1.544 1.00 1.00 N ATOM 543 CA LYS X 33 81.292 -4.463 -2.614 1.00 1.00 C ATOM 544 C LYS X 33 82.653 -4.168 -1.978 1.00 1.00 C ATOM 545 O LYS X 33 83.686 -4.516 -2.513 1.00 1.00 O ATOM 546 CB LYS X 33 80.828 -3.246 -3.416 1.00 1.00 C ATOM 547 CG LYS X 33 79.597 -3.617 -4.245 1.00 1.00 C ATOM 548 CD LYS X 33 79.120 -2.394 -5.031 1.00 1.00 C ATOM 549 CE LYS X 33 77.916 -2.777 -5.893 1.00 1.00 C ATOM 550 NZ LYS X 33 77.429 -1.576 -6.628 1.00 1.00 N ATOM 0 H LYS X 33 79.558 -4.072 -1.434 1.00 1.00 H new ATOM 0 HA LYS X 33 81.380 -5.322 -3.279 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.591 -2.423 -2.742 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.629 -2.902 -4.070 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.839 -4.430 -4.929 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.801 -3.976 -3.592 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.849 -1.591 -4.345 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.926 -2.017 -5.661 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.195 -3.560 -6.598 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.120 -3.181 -5.267 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.487 -1.312 -6.276 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 78.089 -0.786 -6.478 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.371 -1.791 -7.644 1.00 1.00 H new ATOM 564 N PHE X 34 82.660 -3.531 -0.839 1.00 1.00 N ATOM 565 CA PHE X 34 83.953 -3.219 -0.168 1.00 1.00 C ATOM 566 C PHE X 34 84.762 -4.506 0.005 1.00 1.00 C ATOM 567 O PHE X 34 85.923 -4.573 -0.346 1.00 1.00 O ATOM 568 CB PHE X 34 83.680 -2.601 1.204 1.00 1.00 C ATOM 569 CG PHE X 34 84.950 -2.605 2.021 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.089 -1.944 1.547 1.00 1.00 C ATOM 571 CD2 PHE X 34 84.989 -3.271 3.253 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.267 -1.948 2.304 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.167 -3.275 4.009 1.00 1.00 C ATOM 574 CZ PHE X 34 87.306 -2.613 3.535 1.00 1.00 C ATOM 0 H PHE X 34 81.826 -3.213 -0.344 1.00 1.00 H new ATOM 0 HA PHE X 34 84.517 -2.514 -0.778 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.313 -1.581 1.089 1.00 1.00 H new ATOM 0 HB3 PHE X 34 82.902 -3.164 1.720 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.059 -1.431 0.597 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.110 -3.781 3.619 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.146 -1.438 1.938 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.197 -3.789 4.958 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.214 -2.615 4.119 1.00 1.00 H new ATOM 584 N PHE X 35 84.157 -5.529 0.543 1.00 1.00 N ATOM 585 CA PHE X 35 84.893 -6.810 0.737 1.00 1.00 C ATOM 586 C PHE X 35 85.349 -7.345 -0.621 1.00 1.00 C ATOM 587 O PHE X 35 86.453 -7.832 -0.768 1.00 1.00 O ATOM 588 CB PHE X 35 83.969 -7.833 1.400 1.00 1.00 C ATOM 589 CG PHE X 35 83.873 -7.541 2.878 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.910 -7.927 3.737 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.748 -6.885 3.391 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.821 -7.655 5.108 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.659 -6.613 4.760 1.00 1.00 C ATOM 594 CZ PHE X 35 83.696 -6.998 5.619 1.00 1.00 C ATOM 0 H PHE X 35 83.186 -5.533 0.856 1.00 1.00 H new ATOM 0 HA PHE X 35 85.762 -6.637 1.372 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.979 -7.793 0.946 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.352 -8.841 1.242 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.778 -8.434 3.342 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.948 -6.589 2.729 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.620 -7.952 5.771 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.791 -6.106 5.155 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.627 -6.788 6.676 1.00 1.00 H new ATOM 604 N ASP X 36 84.509 -7.261 -1.615 1.00 1.00 N ATOM 605 CA ASP X 36 84.898 -7.766 -2.962 1.00 1.00 C ATOM 606 C ASP X 36 86.077 -6.945 -3.489 1.00 1.00 C ATOM 607 O ASP X 36 86.991 -7.470 -4.091 1.00 1.00 O ATOM 608 CB ASP X 36 83.713 -7.633 -3.921 1.00 1.00 C ATOM 609 CG ASP X 36 82.811 -8.861 -3.793 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.335 -9.963 -3.824 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.611 -8.680 -3.667 1.00 1.00 O ATOM 0 H ASP X 36 83.571 -6.865 -1.553 1.00 1.00 H new ATOM 0 HA ASP X 36 85.187 -8.815 -2.889 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.148 -6.729 -3.694 1.00 1.00 H new ATOM 0 HB3 ASP X 36 84.071 -7.537 -4.946 1.00 1.00 H new ATOM 616 N PHE X 37 86.060 -5.659 -3.264 1.00 1.00 N ATOM 617 CA PHE X 37 87.181 -4.804 -3.746 1.00 1.00 C ATOM 618 C PHE X 37 88.494 -5.283 -3.122 1.00 1.00 C ATOM 619 O PHE X 37 89.497 -5.418 -3.793 1.00 1.00 O ATOM 620 CB PHE X 37 86.926 -3.350 -3.339 1.00 1.00 C ATOM 621 CG PHE X 37 88.016 -2.469 -3.901 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.950 -2.037 -5.230 1.00 1.00 C ATOM 623 CD2 PHE X 37 89.091 -2.085 -3.092 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.961 -1.220 -5.752 1.00 1.00 C ATOM 625 CE2 PHE X 37 90.102 -1.268 -3.613 1.00 1.00 C ATOM 626 CZ PHE X 37 90.037 -0.835 -4.943 1.00 1.00 C ATOM 0 H PHE X 37 85.319 -5.164 -2.768 1.00 1.00 H new ATOM 0 HA PHE X 37 87.248 -4.872 -4.832 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.954 -3.023 -3.708 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.899 -3.265 -2.253 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.119 -2.333 -5.854 1.00 1.00 H new ATOM 0 HD2 PHE X 37 89.141 -2.419 -2.066 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.911 -0.887 -6.778 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.932 -0.972 -2.989 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.816 -0.204 -5.345 1.00 1.00 H new ATOM 636 N VAL X 38 88.494 -5.542 -1.844 1.00 1.00 N ATOM 637 CA VAL X 38 89.742 -6.008 -1.178 1.00 1.00 C ATOM 638 C VAL X 38 90.229 -7.296 -1.849 1.00 1.00 C ATOM 639 O VAL X 38 91.385 -7.423 -2.201 1.00 1.00 O ATOM 640 CB VAL X 38 89.461 -6.280 0.300 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.738 -6.777 0.980 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.996 -4.987 0.975 1.00 1.00 C ATOM 0 H VAL X 38 87.683 -5.451 -1.232 1.00 1.00 H new ATOM 0 HA VAL X 38 90.509 -5.239 -1.267 1.00 1.00 H new ATOM 0 HB VAL X 38 88.683 -7.039 0.388 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.537 -6.971 2.034 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.072 -7.696 0.499 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.516 -6.018 0.892 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.795 -5.179 2.029 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.775 -4.230 0.886 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.087 -4.631 0.491 1.00 1.00 H new ATOM 652 N LYS X 39 89.358 -8.251 -2.027 1.00 1.00 N ATOM 653 CA LYS X 39 89.771 -9.520 -2.692 1.00 1.00 C ATOM 654 C LYS X 39 90.185 -9.226 -4.135 1.00 1.00 C ATOM 655 O LYS X 39 91.042 -9.882 -4.692 1.00 1.00 O ATOM 656 CB LYS X 39 88.597 -10.502 -2.687 1.00 1.00 C ATOM 657 CG LYS X 39 88.315 -10.955 -1.254 1.00 1.00 C ATOM 658 CD LYS X 39 87.127 -11.919 -1.245 1.00 1.00 C ATOM 659 CE LYS X 39 86.860 -12.390 0.186 1.00 1.00 C ATOM 660 NZ LYS X 39 85.740 -13.373 0.183 1.00 1.00 N ATOM 0 H LYS X 39 88.380 -8.208 -1.741 1.00 1.00 H new ATOM 0 HA LYS X 39 90.613 -9.957 -2.154 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.711 -10.028 -3.111 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.828 -11.364 -3.313 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.196 -11.443 -0.836 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.100 -10.091 -0.624 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.242 -11.426 -1.647 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.335 -12.775 -1.888 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.758 -12.846 0.604 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.610 -11.539 0.820 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 85.557 -13.694 1.155 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.884 -12.923 -0.200 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.996 -14.189 -0.409 1.00 1.00 H new ATOM 674 N ASP X 40 89.581 -8.243 -4.743 1.00 1.00 N ATOM 675 CA ASP X 40 89.942 -7.898 -6.148 1.00 1.00 C ATOM 676 C ASP X 40 91.365 -7.336 -6.191 1.00 1.00 C ATOM 677 O ASP X 40 91.998 -7.307 -7.228 1.00 1.00 O ATOM 678 CB ASP X 40 88.963 -6.850 -6.681 1.00 1.00 C ATOM 679 CG ASP X 40 87.582 -7.483 -6.856 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.508 -8.700 -6.880 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.620 -6.739 -6.963 1.00 1.00 O ATOM 0 H ASP X 40 88.852 -7.663 -4.328 1.00 1.00 H new ATOM 0 HA ASP X 40 89.890 -8.794 -6.766 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.904 -6.008 -5.991 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.318 -6.457 -7.634 1.00 1.00 H new ATOM 686 N THR X 41 91.873 -6.889 -5.076 1.00 1.00 N ATOM 687 CA THR X 41 93.227 -6.265 -5.073 1.00 1.00 C ATOM 688 C THR X 41 94.231 -7.226 -5.713 1.00 1.00 C ATOM 689 O THR X 41 95.007 -6.850 -6.569 1.00 1.00 O ATOM 690 CB THR X 41 93.650 -5.967 -3.633 1.00 1.00 C ATOM 691 OG1 THR X 41 92.577 -5.337 -2.947 1.00 1.00 O ATOM 692 CG2 THR X 41 94.869 -5.045 -3.637 1.00 1.00 C ATOM 0 H THR X 41 91.410 -6.928 -4.168 1.00 1.00 H new ATOM 0 HA THR X 41 93.200 -5.335 -5.641 1.00 1.00 H new ATOM 0 HB THR X 41 93.906 -6.899 -3.129 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.223 -5.945 -2.265 1.00 1.00 H new ATOM 0 HG21 THR X 41 95.169 -4.834 -2.611 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.691 -5.531 -4.162 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.618 -4.112 -4.141 1.00 1.00 H new ATOM 700 N CYS X 42 94.223 -8.465 -5.303 1.00 1.00 N ATOM 701 CA CYS X 42 95.195 -9.443 -5.869 1.00 1.00 C ATOM 702 C CYS X 42 94.437 -10.621 -6.482 1.00 1.00 C ATOM 703 O CYS X 42 94.552 -10.901 -7.658 1.00 1.00 O ATOM 704 CB CYS X 42 96.114 -9.952 -4.755 1.00 1.00 C ATOM 705 SG CYS X 42 96.457 -11.710 -5.012 1.00 1.00 S ATOM 0 H CYS X 42 93.586 -8.842 -4.601 1.00 1.00 H new ATOM 0 HA CYS X 42 95.792 -8.956 -6.640 1.00 1.00 H new ATOM 0 HB2 CYS X 42 97.045 -9.386 -4.750 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.644 -9.801 -3.783 1.00 1.00 H new ATOM 0 HG CYS X 42 97.239 -12.142 -4.068 1.00 1.00 H new ATOM 711 N PRO X 43 93.664 -11.306 -5.682 1.00 1.00 N ATOM 712 CA PRO X 43 92.878 -12.487 -6.133 1.00 1.00 C ATOM 713 C PRO X 43 92.237 -12.266 -7.507 1.00 1.00 C ATOM 714 O PRO X 43 92.289 -13.117 -8.373 1.00 1.00 O ATOM 715 CB PRO X 43 91.802 -12.636 -5.057 1.00 1.00 C ATOM 716 CG PRO X 43 92.391 -12.040 -3.820 1.00 1.00 C ATOM 717 CD PRO X 43 93.460 -11.022 -4.253 1.00 1.00 C ATOM 0 HA PRO X 43 93.504 -13.372 -6.249 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.886 -12.120 -5.344 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.543 -13.684 -4.903 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.618 -11.553 -3.225 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.833 -12.816 -3.195 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.123 -9.998 -4.094 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.382 -11.146 -3.686 1.00 1.00 H new ATOM 725 N TRP X 44 91.632 -11.128 -7.714 1.00 1.00 N ATOM 726 CA TRP X 44 90.991 -10.850 -9.032 1.00 1.00 C ATOM 727 C TRP X 44 91.269 -9.402 -9.441 1.00 1.00 C ATOM 728 O TRP X 44 90.807 -8.469 -8.813 1.00 1.00 O ATOM 729 CB TRP X 44 89.481 -11.067 -8.917 1.00 1.00 C ATOM 730 CG TRP X 44 89.216 -12.450 -8.416 1.00 1.00 C ATOM 731 CD1 TRP X 44 89.583 -13.589 -9.047 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.535 -12.859 -7.195 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.169 -14.671 -8.290 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.518 -14.272 -7.139 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.934 -12.147 -6.141 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.928 -14.956 -6.075 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.339 -12.831 -5.069 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.336 -14.233 -5.036 1.00 1.00 C ATOM 0 H TRP X 44 91.554 -10.378 -7.027 1.00 1.00 H new ATOM 0 HA TRP X 44 91.400 -11.523 -9.785 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.047 -10.333 -8.238 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.007 -10.923 -9.888 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.112 -13.645 -9.987 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.326 -15.645 -8.550 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.930 -11.067 -6.157 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.929 -16.036 -6.055 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 86.881 -12.274 -4.265 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.877 -14.753 -4.209 1.00 1.00 H new ATOM 749 N PHE X 45 92.021 -9.206 -10.489 1.00 1.00 N ATOM 750 CA PHE X 45 92.330 -7.819 -10.943 1.00 1.00 C ATOM 751 C PHE X 45 91.046 -7.124 -11.404 1.00 1.00 C ATOM 752 O PHE X 45 90.807 -5.975 -11.087 1.00 1.00 O ATOM 753 CB PHE X 45 93.322 -7.874 -12.107 1.00 1.00 C ATOM 754 CG PHE X 45 94.550 -7.066 -11.761 1.00 1.00 C ATOM 755 CD1 PHE X 45 95.348 -7.438 -10.673 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.893 -5.949 -12.532 1.00 1.00 C ATOM 757 CE1 PHE X 45 96.489 -6.691 -10.353 1.00 1.00 C ATOM 758 CE2 PHE X 45 96.033 -5.201 -12.213 1.00 1.00 C ATOM 759 CZ PHE X 45 96.831 -5.573 -11.124 1.00 1.00 C ATOM 0 H PHE X 45 92.436 -9.948 -11.052 1.00 1.00 H new ATOM 0 HA PHE X 45 92.765 -7.259 -10.115 1.00 1.00 H new ATOM 0 HB2 PHE X 45 93.600 -8.908 -12.313 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.859 -7.482 -13.012 1.00 1.00 H new ATOM 0 HD1 PHE X 45 95.084 -8.301 -10.080 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.278 -5.664 -13.373 1.00 1.00 H new ATOM 0 HE1 PHE X 45 97.104 -6.977 -9.513 1.00 1.00 H new ATOM 0 HE2 PHE X 45 96.297 -4.338 -12.806 1.00 1.00 H new ATOM 0 HZ PHE X 45 97.711 -4.997 -10.878 1.00 1.00 H new ATOM 769 N PRO X 46 90.229 -7.816 -12.148 1.00 1.00 N ATOM 770 CA PRO X 46 88.958 -7.253 -12.693 1.00 1.00 C ATOM 771 C PRO X 46 88.047 -6.698 -11.593 1.00 1.00 C ATOM 772 O PRO X 46 87.793 -7.348 -10.598 1.00 1.00 O ATOM 773 CB PRO X 46 88.286 -8.440 -13.392 1.00 1.00 C ATOM 774 CG PRO X 46 89.381 -9.417 -13.674 1.00 1.00 C ATOM 775 CD PRO X 46 90.426 -9.214 -12.555 1.00 1.00 C ATOM 0 HA PRO X 46 89.151 -6.413 -13.360 1.00 1.00 H new ATOM 0 HB2 PRO X 46 87.519 -8.884 -12.758 1.00 1.00 H new ATOM 0 HB3 PRO X 46 87.795 -8.125 -14.313 1.00 1.00 H new ATOM 0 HG2 PRO X 46 89.002 -10.439 -13.674 1.00 1.00 H new ATOM 0 HG3 PRO X 46 89.820 -9.239 -14.656 1.00 1.00 H new ATOM 0 HD2 PRO X 46 90.262 -9.900 -11.724 1.00 1.00 H new ATOM 0 HD3 PRO X 46 91.440 -9.387 -12.917 1.00 1.00 H new ATOM 783 N GLN X 47 87.559 -5.500 -11.760 1.00 1.00 N ATOM 784 CA GLN X 47 86.668 -4.906 -10.724 1.00 1.00 C ATOM 785 C GLN X 47 85.294 -4.609 -11.333 1.00 1.00 C ATOM 786 O GLN X 47 85.189 -4.055 -12.408 1.00 1.00 O ATOM 787 CB GLN X 47 87.286 -3.606 -10.203 1.00 1.00 C ATOM 788 CG GLN X 47 88.601 -3.920 -9.488 1.00 1.00 C ATOM 789 CD GLN X 47 89.201 -2.626 -8.934 1.00 1.00 C ATOM 790 OE1 GLN X 47 88.599 -1.576 -9.024 1.00 1.00 O ATOM 791 NE2 GLN X 47 90.373 -2.659 -8.360 1.00 1.00 N ATOM 0 H GLN X 47 87.739 -4.906 -12.570 1.00 1.00 H new ATOM 0 HA GLN X 47 86.553 -5.611 -9.901 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.464 -2.918 -11.030 1.00 1.00 H new ATOM 0 HB3 GLN X 47 86.597 -3.111 -9.519 1.00 1.00 H new ATOM 0 HG2 GLN X 47 88.427 -4.629 -8.678 1.00 1.00 H new ATOM 0 HG3 GLN X 47 89.300 -4.391 -10.179 1.00 1.00 H new ATOM 0 HE21 GLN X 47 90.879 -3.541 -8.284 1.00 1.00 H new ATOM 0 HE22 GLN X 47 90.783 -1.802 -7.987 1.00 1.00 H new ATOM 800 N GLU X 48 84.242 -4.979 -10.656 1.00 1.00 N ATOM 801 CA GLU X 48 82.876 -4.711 -11.193 1.00 1.00 C ATOM 802 C GLU X 48 81.933 -4.336 -10.047 1.00 1.00 C ATOM 803 O GLU X 48 81.833 -5.036 -9.058 1.00 1.00 O ATOM 804 CB GLU X 48 82.349 -5.963 -11.895 1.00 1.00 C ATOM 805 CG GLU X 48 83.212 -6.262 -13.122 1.00 1.00 C ATOM 806 CD GLU X 48 83.037 -5.146 -14.154 1.00 1.00 C ATOM 807 OE1 GLU X 48 82.042 -4.445 -14.075 1.00 1.00 O ATOM 808 OE2 GLU X 48 83.902 -5.011 -15.004 1.00 1.00 O ATOM 0 H GLU X 48 84.268 -5.455 -9.754 1.00 1.00 H new ATOM 0 HA GLU X 48 82.925 -3.886 -11.904 1.00 1.00 H new ATOM 0 HB2 GLU X 48 82.366 -6.811 -11.210 1.00 1.00 H new ATOM 0 HB3 GLU X 48 81.311 -5.815 -12.194 1.00 1.00 H new ATOM 0 HG2 GLU X 48 84.260 -6.342 -12.832 1.00 1.00 H new ATOM 0 HG3 GLU X 48 82.927 -7.221 -13.555 1.00 1.00 H new ATOM 815 N GLY X 49 81.247 -3.233 -10.169 1.00 1.00 N ATOM 816 CA GLY X 49 80.317 -2.809 -9.083 1.00 1.00 C ATOM 817 C GLY X 49 80.467 -1.308 -8.830 1.00 1.00 C ATOM 818 O GLY X 49 81.535 -0.749 -8.974 1.00 1.00 O ATOM 0 H GLY X 49 81.290 -2.607 -10.973 1.00 1.00 H new ATOM 0 HA2 GLY X 49 79.289 -3.039 -9.362 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.532 -3.364 -8.170 1.00 1.00 H new ATOM 822 N THR X 50 79.406 -0.648 -8.451 1.00 1.00 N ATOM 823 CA THR X 50 79.495 0.818 -8.202 1.00 1.00 C ATOM 824 C THR X 50 79.892 1.063 -6.746 1.00 1.00 C ATOM 825 O THR X 50 79.480 0.350 -5.852 1.00 1.00 O ATOM 826 CB THR X 50 78.135 1.467 -8.476 1.00 1.00 C ATOM 827 OG1 THR X 50 77.849 1.392 -9.866 1.00 1.00 O ATOM 828 CG2 THR X 50 78.168 2.932 -8.038 1.00 1.00 C ATOM 0 H THR X 50 78.484 -1.060 -8.304 1.00 1.00 H new ATOM 0 HA THR X 50 80.245 1.254 -8.862 1.00 1.00 H new ATOM 0 HB THR X 50 77.362 0.941 -7.916 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.978 1.805 -10.044 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.199 3.392 -8.234 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.388 2.988 -6.972 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.941 3.461 -8.596 1.00 1.00 H new ATOM 836 N ILE X 51 80.690 2.064 -6.499 1.00 1.00 N ATOM 837 CA ILE X 51 81.118 2.348 -5.100 1.00 1.00 C ATOM 838 C ILE X 51 80.606 3.728 -4.678 1.00 1.00 C ATOM 839 O ILE X 51 80.775 4.705 -5.379 1.00 1.00 O ATOM 840 CB ILE X 51 82.647 2.326 -5.023 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.080 1.818 -3.646 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.189 3.740 -5.237 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.394 2.643 -2.557 1.00 1.00 C ATOM 0 H ILE X 51 81.065 2.698 -7.205 1.00 1.00 H new ATOM 0 HA ILE X 51 80.708 1.590 -4.433 1.00 1.00 H new ATOM 0 HB ILE X 51 83.040 1.665 -5.796 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.820 0.765 -3.537 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.163 1.891 -3.544 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.278 3.725 -5.182 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.880 4.104 -6.217 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.796 4.401 -4.464 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.703 2.280 -1.577 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.676 3.691 -2.662 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.313 2.547 -2.655 1.00 1.00 H new ATOM 855 N ASP X 52 79.978 3.812 -3.537 1.00 1.00 N ATOM 856 CA ASP X 52 79.456 5.126 -3.066 1.00 1.00 C ATOM 857 C ASP X 52 80.621 6.023 -2.637 1.00 1.00 C ATOM 858 O ASP X 52 81.542 5.583 -1.977 1.00 1.00 O ATOM 859 CB ASP X 52 78.519 4.905 -1.876 1.00 1.00 C ATOM 860 CG ASP X 52 77.780 6.206 -1.558 1.00 1.00 C ATOM 861 OD1 ASP X 52 77.710 7.054 -2.434 1.00 1.00 O ATOM 862 OD2 ASP X 52 77.296 6.333 -0.446 1.00 1.00 O ATOM 0 H ASP X 52 79.804 3.026 -2.910 1.00 1.00 H new ATOM 0 HA ASP X 52 78.910 5.608 -3.877 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.804 4.115 -2.105 1.00 1.00 H new ATOM 0 HB3 ASP X 52 79.089 4.577 -1.007 1.00 1.00 H new ATOM 867 N ILE X 53 80.591 7.274 -3.005 1.00 1.00 N ATOM 868 CA ILE X 53 81.704 8.189 -2.624 1.00 1.00 C ATOM 869 C ILE X 53 81.736 8.347 -1.102 1.00 1.00 C ATOM 870 O ILE X 53 82.762 8.641 -0.520 1.00 1.00 O ATOM 871 CB ILE X 53 81.487 9.557 -3.274 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.228 9.373 -4.771 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.734 10.421 -3.076 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.766 10.700 -5.375 1.00 1.00 C ATOM 0 H ILE X 53 79.845 7.702 -3.553 1.00 1.00 H new ATOM 0 HA ILE X 53 82.651 7.771 -2.966 1.00 1.00 H new ATOM 0 HB ILE X 53 80.629 10.047 -2.812 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.135 9.031 -5.269 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.470 8.606 -4.928 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.579 11.395 -3.539 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.921 10.552 -2.010 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.592 9.932 -3.537 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.581 10.570 -6.441 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.848 11.023 -4.884 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.539 11.454 -5.230 1.00 1.00 H new ATOM 886 N LYS X 54 80.621 8.155 -0.451 1.00 1.00 N ATOM 887 CA LYS X 54 80.589 8.308 1.031 1.00 1.00 C ATOM 888 C LYS X 54 81.471 7.234 1.672 1.00 1.00 C ATOM 889 O LYS X 54 82.163 7.482 2.639 1.00 1.00 O ATOM 890 CB LYS X 54 79.150 8.153 1.530 1.00 1.00 C ATOM 891 CG LYS X 54 78.308 9.330 1.035 1.00 1.00 C ATOM 892 CD LYS X 54 76.865 9.161 1.514 1.00 1.00 C ATOM 893 CE LYS X 54 76.022 10.337 1.017 1.00 1.00 C ATOM 894 NZ LYS X 54 76.409 11.572 1.756 1.00 1.00 N ATOM 0 H LYS X 54 79.732 7.899 -0.881 1.00 1.00 H new ATOM 0 HA LYS X 54 80.962 9.295 1.303 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.729 7.214 1.171 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.134 8.113 2.619 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.719 10.268 1.409 1.00 1.00 H new ATOM 0 HG3 LYS X 54 78.338 9.380 -0.053 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.454 8.222 1.142 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.835 9.113 2.603 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.171 10.479 -0.053 1.00 1.00 H new ATOM 0 HE3 LYS X 54 74.963 10.128 1.166 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 75.638 12.268 1.697 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 76.589 11.338 2.753 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.271 11.974 1.334 1.00 1.00 H new ATOM 908 N PHE X 55 81.454 6.043 1.138 1.00 1.00 N ATOM 909 CA PHE X 55 82.283 4.952 1.724 1.00 1.00 C ATOM 910 C PHE X 55 83.715 5.065 1.195 1.00 1.00 C ATOM 911 O PHE X 55 84.639 4.523 1.766 1.00 1.00 O ATOM 912 CB PHE X 55 81.694 3.594 1.330 1.00 1.00 C ATOM 913 CG PHE X 55 82.272 2.515 2.212 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.719 2.270 3.475 1.00 1.00 C ATOM 915 CD2 PHE X 55 83.364 1.759 1.768 1.00 1.00 C ATOM 916 CE1 PHE X 55 82.257 1.271 4.293 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.902 0.759 2.586 1.00 1.00 C ATOM 918 CZ PHE X 55 83.349 0.515 3.849 1.00 1.00 C ATOM 0 H PHE X 55 80.902 5.779 0.322 1.00 1.00 H new ATOM 0 HA PHE X 55 82.289 5.040 2.810 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.609 3.615 1.428 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.915 3.380 0.284 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.877 2.853 3.818 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.791 1.948 0.794 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.830 1.083 5.267 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.744 0.176 2.243 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.765 -0.256 4.481 1.00 1.00 H new ATOM 928 N TRP X 56 83.908 5.764 0.110 1.00 1.00 N ATOM 929 CA TRP X 56 85.283 5.901 -0.448 1.00 1.00 C ATOM 930 C TRP X 56 86.193 6.568 0.585 1.00 1.00 C ATOM 931 O TRP X 56 87.347 6.217 0.728 1.00 1.00 O ATOM 932 CB TRP X 56 85.236 6.758 -1.714 1.00 1.00 C ATOM 933 CG TRP X 56 86.617 7.206 -2.063 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.705 6.403 -2.115 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.080 8.544 -2.409 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.804 7.163 -2.471 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.470 8.488 -2.663 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.433 9.788 -2.526 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.195 9.626 -3.021 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.158 10.935 -2.886 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.536 10.855 -3.133 1.00 1.00 C ATOM 0 H TRP X 56 83.176 6.245 -0.413 1.00 1.00 H new ATOM 0 HA TRP X 56 85.675 4.913 -0.691 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.809 6.186 -2.538 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.590 7.622 -1.557 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.714 5.342 -1.912 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.747 6.790 -2.579 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.372 9.861 -2.338 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.256 9.558 -3.210 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.651 11.885 -2.973 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.088 11.741 -3.409 1.00 1.00 H new ATOM 952 N ARG X 57 85.685 7.529 1.307 1.00 1.00 N ATOM 953 CA ARG X 57 86.528 8.220 2.324 1.00 1.00 C ATOM 954 C ARG X 57 87.084 7.191 3.310 1.00 1.00 C ATOM 955 O ARG X 57 88.243 7.228 3.673 1.00 1.00 O ATOM 956 CB ARG X 57 85.680 9.246 3.079 1.00 1.00 C ATOM 957 CG ARG X 57 84.990 10.175 2.078 1.00 1.00 C ATOM 958 CD ARG X 57 86.034 11.072 1.410 1.00 1.00 C ATOM 959 NE ARG X 57 85.349 12.189 0.701 1.00 1.00 N ATOM 960 CZ ARG X 57 85.957 12.818 -0.268 1.00 1.00 C ATOM 961 NH1 ARG X 57 87.162 12.465 -0.621 1.00 1.00 N ATOM 962 NH2 ARG X 57 85.356 13.798 -0.886 1.00 1.00 N ATOM 0 H ARG X 57 84.725 7.865 1.237 1.00 1.00 H new ATOM 0 HA ARG X 57 87.354 8.729 1.826 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.936 8.738 3.692 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.308 9.825 3.755 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.464 9.589 1.325 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.243 10.785 2.587 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.720 11.469 2.158 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.631 10.492 0.706 1.00 1.00 H new ATOM 0 HE ARG X 57 84.405 12.462 0.973 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.630 11.697 -0.140 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.636 12.957 -1.378 1.00 1.00 H new ATOM 0 HH21 ARG X 57 84.412 14.072 -0.612 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.830 14.290 -1.643 1.00 1.00 H new ATOM 976 N ARG X 58 86.268 6.273 3.749 1.00 1.00 N ATOM 977 CA ARG X 58 86.753 5.244 4.710 1.00 1.00 C ATOM 978 C ARG X 58 87.739 4.311 4.004 1.00 1.00 C ATOM 979 O ARG X 58 88.737 3.907 4.566 1.00 1.00 O ATOM 980 CB ARG X 58 85.565 4.431 5.230 1.00 1.00 C ATOM 981 CG ARG X 58 84.725 5.299 6.171 1.00 1.00 C ATOM 982 CD ARG X 58 83.461 4.538 6.574 1.00 1.00 C ATOM 983 NE ARG X 58 83.840 3.300 7.312 1.00 1.00 N ATOM 984 CZ ARG X 58 82.936 2.398 7.581 1.00 1.00 C ATOM 985 NH1 ARG X 58 81.701 2.580 7.205 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.269 1.314 8.228 1.00 1.00 N ATOM 0 H ARG X 58 85.287 6.191 3.484 1.00 1.00 H new ATOM 0 HA ARG X 58 87.252 5.734 5.546 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.955 4.085 4.396 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.920 3.544 5.755 1.00 1.00 H new ATOM 0 HG2 ARG X 58 85.304 5.559 7.057 1.00 1.00 H new ATOM 0 HG3 ARG X 58 84.458 6.234 5.679 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.829 5.168 7.200 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.880 4.282 5.688 1.00 1.00 H new ATOM 0 HE ARG X 58 84.806 3.158 7.607 1.00 1.00 H new ATOM 0 HH11 ARG X 58 81.441 3.428 6.700 1.00 1.00 H new ATOM 0 HH12 ARG X 58 80.995 1.875 7.415 1.00 1.00 H new ATOM 0 HH21 ARG X 58 84.235 1.173 8.523 1.00 1.00 H new ATOM 0 HH22 ARG X 58 82.563 0.609 8.439 1.00 1.00 H new ATOM 1000 N VAL X 59 87.466 3.966 2.776 1.00 1.00 N ATOM 1001 CA VAL X 59 88.385 3.056 2.037 1.00 1.00 C ATOM 1002 C VAL X 59 89.758 3.717 1.908 1.00 1.00 C ATOM 1003 O VAL X 59 90.779 3.105 2.151 1.00 1.00 O ATOM 1004 CB VAL X 59 87.818 2.779 0.642 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.901 2.148 -0.234 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.632 1.819 0.757 1.00 1.00 C ATOM 0 H VAL X 59 86.647 4.275 2.253 1.00 1.00 H new ATOM 0 HA VAL X 59 88.482 2.117 2.581 1.00 1.00 H new ATOM 0 HB VAL X 59 87.487 3.715 0.192 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.497 1.951 -1.227 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.747 2.831 -0.315 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.232 1.212 0.215 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.227 1.621 -0.235 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.964 0.883 1.207 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.859 2.268 1.381 1.00 1.00 H new ATOM 1016 N GLY X 60 89.791 4.964 1.526 1.00 1.00 N ATOM 1017 CA GLY X 60 91.098 5.666 1.382 1.00 1.00 C ATOM 1018 C GLY X 60 91.876 5.578 2.695 1.00 1.00 C ATOM 1019 O GLY X 60 93.040 5.234 2.716 1.00 1.00 O ATOM 0 H GLY X 60 88.969 5.527 1.307 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.676 5.217 0.574 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.934 6.710 1.114 1.00 1.00 H new ATOM 1023 N ASP X 61 91.240 5.886 3.793 1.00 1.00 N ATOM 1024 CA ASP X 61 91.946 5.819 5.104 1.00 1.00 C ATOM 1025 C ASP X 61 92.301 4.364 5.418 1.00 1.00 C ATOM 1026 O ASP X 61 93.320 4.079 6.016 1.00 1.00 O ATOM 1027 CB ASP X 61 91.032 6.369 6.202 1.00 1.00 C ATOM 1028 CG ASP X 61 91.174 7.890 6.269 1.00 1.00 C ATOM 1029 OD1 ASP X 61 92.299 8.363 6.245 1.00 1.00 O ATOM 1030 OD2 ASP X 61 90.156 8.558 6.344 1.00 1.00 O ATOM 0 H ASP X 61 90.264 6.180 3.839 1.00 1.00 H new ATOM 0 HA ASP X 61 92.858 6.414 5.057 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.996 6.098 5.997 1.00 1.00 H new ATOM 0 HB3 ASP X 61 91.293 5.926 7.163 1.00 1.00 H new ATOM 1035 N CYS X 62 91.470 3.441 5.018 1.00 1.00 N ATOM 1036 CA CYS X 62 91.754 2.008 5.309 1.00 1.00 C ATOM 1037 C CYS X 62 92.958 1.549 4.483 1.00 1.00 C ATOM 1038 O CYS X 62 93.922 1.031 5.012 1.00 1.00 O ATOM 1039 CB CYS X 62 90.533 1.162 4.941 1.00 1.00 C ATOM 1040 SG CYS X 62 89.131 1.644 5.981 1.00 1.00 S ATOM 0 H CYS X 62 90.608 3.617 4.503 1.00 1.00 H new ATOM 0 HA CYS X 62 91.974 1.889 6.370 1.00 1.00 H new ATOM 0 HB2 CYS X 62 90.284 1.301 3.889 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.755 0.104 5.079 1.00 1.00 H new ATOM 0 HG CYS X 62 88.677 2.798 5.590 1.00 1.00 H new ATOM 1046 N PHE X 63 92.911 1.734 3.193 1.00 1.00 N ATOM 1047 CA PHE X 63 94.051 1.301 2.337 1.00 1.00 C ATOM 1048 C PHE X 63 95.299 2.110 2.701 1.00 1.00 C ATOM 1049 O PHE X 63 96.385 1.577 2.811 1.00 1.00 O ATOM 1050 CB PHE X 63 93.702 1.535 0.866 1.00 1.00 C ATOM 1051 CG PHE X 63 93.022 0.307 0.308 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.888 -0.213 0.942 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.526 -0.311 -0.844 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.257 -1.351 0.426 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.895 -1.448 -1.360 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.761 -1.969 -0.726 1.00 1.00 C ATOM 0 H PHE X 63 92.133 2.166 2.695 1.00 1.00 H new ATOM 0 HA PHE X 63 94.245 0.241 2.500 1.00 1.00 H new ATOM 0 HB2 PHE X 63 93.048 2.401 0.770 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.606 1.753 0.297 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.500 0.264 1.830 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.401 0.090 -1.333 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.382 -1.752 0.916 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.283 -1.924 -2.248 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.275 -2.847 -1.125 1.00 1.00 H new ATOM 1066 N GLN X 64 95.151 3.393 2.887 1.00 1.00 N ATOM 1067 CA GLN X 64 96.327 4.234 3.247 1.00 1.00 C ATOM 1068 C GLN X 64 96.905 3.758 4.582 1.00 1.00 C ATOM 1069 O GLN X 64 98.094 3.833 4.815 1.00 1.00 O ATOM 1070 CB GLN X 64 95.890 5.695 3.374 1.00 1.00 C ATOM 1071 CG GLN X 64 97.100 6.560 3.734 1.00 1.00 C ATOM 1072 CD GLN X 64 96.700 8.037 3.699 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.708 8.396 3.095 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.436 8.914 4.324 1.00 1.00 N ATOM 0 H GLN X 64 94.267 3.895 2.805 1.00 1.00 H new ATOM 0 HA GLN X 64 97.086 4.148 2.470 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.451 6.037 2.437 1.00 1.00 H new ATOM 0 HB3 GLN X 64 95.121 5.790 4.140 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.468 6.295 4.725 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.914 6.376 3.033 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.268 8.613 4.831 1.00 1.00 H new ATOM 0 HE22 GLN X 64 97.179 9.901 4.306 1.00 1.00 H new ATOM 1083 N ASP X 65 96.072 3.267 5.459 1.00 1.00 N ATOM 1084 CA ASP X 65 96.579 2.786 6.774 1.00 1.00 C ATOM 1085 C ASP X 65 97.504 1.588 6.552 1.00 1.00 C ATOM 1086 O ASP X 65 98.577 1.506 7.117 1.00 1.00 O ATOM 1087 CB ASP X 65 95.398 2.365 7.652 1.00 1.00 C ATOM 1088 CG ASP X 65 95.919 1.820 8.982 1.00 1.00 C ATOM 1089 OD1 ASP X 65 97.127 1.743 9.138 1.00 1.00 O ATOM 1090 OD2 ASP X 65 95.102 1.486 9.824 1.00 1.00 O ATOM 0 H ASP X 65 95.065 3.179 5.322 1.00 1.00 H new ATOM 0 HA ASP X 65 97.131 3.586 7.268 1.00 1.00 H new ATOM 0 HB2 ASP X 65 94.741 3.216 7.828 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.805 1.605 7.143 1.00 1.00 H new ATOM 1095 N TYR X 66 97.097 0.658 5.732 1.00 1.00 N ATOM 1096 CA TYR X 66 97.949 -0.537 5.477 1.00 1.00 C ATOM 1097 C TYR X 66 99.144 -0.133 4.613 1.00 1.00 C ATOM 1098 O TYR X 66 100.204 -0.725 4.686 1.00 1.00 O ATOM 1099 CB TYR X 66 97.130 -1.603 4.747 1.00 1.00 C ATOM 1100 CG TYR X 66 96.119 -2.200 5.697 1.00 1.00 C ATOM 1101 CD1 TYR X 66 96.542 -3.054 6.722 1.00 1.00 C ATOM 1102 CD2 TYR X 66 94.758 -1.900 5.554 1.00 1.00 C ATOM 1103 CE1 TYR X 66 95.607 -3.608 7.604 1.00 1.00 C ATOM 1104 CE2 TYR X 66 93.823 -2.454 6.435 1.00 1.00 C ATOM 1105 CZ TYR X 66 94.247 -3.308 7.460 1.00 1.00 C ATOM 1106 OH TYR X 66 93.324 -3.855 8.329 1.00 1.00 O ATOM 0 H TYR X 66 96.211 0.674 5.228 1.00 1.00 H new ATOM 0 HA TYR X 66 98.304 -0.940 6.426 1.00 1.00 H new ATOM 0 HB2 TYR X 66 96.622 -1.162 3.889 1.00 1.00 H new ATOM 0 HB3 TYR X 66 97.788 -2.382 4.363 1.00 1.00 H new ATOM 0 HD1 TYR X 66 97.591 -3.286 6.833 1.00 1.00 H new ATOM 0 HD2 TYR X 66 94.431 -1.241 4.764 1.00 1.00 H new ATOM 0 HE1 TYR X 66 95.934 -4.266 8.395 1.00 1.00 H new ATOM 0 HE2 TYR X 66 92.774 -2.223 6.324 1.00 1.00 H new ATOM 0 HH TYR X 66 92.426 -3.544 8.090 1.00 1.00 H new ATOM 1116 N TYR X 67 98.985 0.870 3.794 1.00 1.00 N ATOM 1117 CA TYR X 67 100.112 1.302 2.920 1.00 1.00 C ATOM 1118 C TYR X 67 101.299 1.718 3.790 1.00 1.00 C ATOM 1119 O TYR X 67 102.402 1.237 3.622 1.00 1.00 O ATOM 1120 CB TYR X 67 99.666 2.490 2.065 1.00 1.00 C ATOM 1121 CG TYR X 67 100.861 3.071 1.349 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.546 2.305 0.398 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.283 4.375 1.635 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.655 2.844 -0.267 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.392 4.913 0.971 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.077 4.147 0.020 1.00 1.00 C ATOM 1127 OH TYR X 67 104.170 4.678 -0.636 1.00 1.00 O ATOM 0 H TYR X 67 98.125 1.408 3.692 1.00 1.00 H new ATOM 0 HA TYR X 67 100.407 0.477 2.271 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.916 2.170 1.342 1.00 1.00 H new ATOM 0 HB3 TYR X 67 99.200 3.249 2.693 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.220 1.299 0.177 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.753 4.966 2.368 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.184 2.254 -1.001 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.719 5.918 1.192 1.00 1.00 H new ATOM 0 HH TYR X 67 104.328 5.592 -0.321 1.00 1.00 H new ATOM 1137 N ASN X 68 101.083 2.608 4.719 1.00 1.00 N ATOM 1138 CA ASN X 68 102.203 3.062 5.589 1.00 1.00 C ATOM 1139 C ASN X 68 102.617 1.920 6.519 1.00 1.00 C ATOM 1140 O ASN X 68 103.779 1.749 6.829 1.00 1.00 O ATOM 1141 CB ASN X 68 101.750 4.261 6.424 1.00 1.00 C ATOM 1142 CG ASN X 68 101.447 5.442 5.498 1.00 1.00 C ATOM 1143 OD1 ASN X 68 100.438 6.102 5.647 1.00 1.00 O ATOM 1144 ND2 ASN X 68 102.285 5.736 4.543 1.00 1.00 N ATOM 0 H ASN X 68 100.180 3.040 4.913 1.00 1.00 H new ATOM 0 HA ASN X 68 103.050 3.354 4.968 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.863 4.001 7.002 1.00 1.00 H new ATOM 0 HB3 ASN X 68 102.527 4.535 7.138 1.00 1.00 H new ATOM 0 HD21 ASN X 68 102.094 6.521 3.920 1.00 1.00 H new ATOM 0 HD22 ASN X 68 103.132 5.181 4.419 1.00 1.00 H new ATOM 1151 N THR X 69 101.674 1.134 6.964 1.00 1.00 N ATOM 1152 CA THR X 69 102.011 0.018 7.892 1.00 1.00 C ATOM 1153 C THR X 69 102.953 -0.958 7.186 1.00 1.00 C ATOM 1154 O THR X 69 103.948 -1.386 7.738 1.00 1.00 O ATOM 1155 CB THR X 69 100.729 -0.712 8.301 1.00 1.00 C ATOM 1156 OG1 THR X 69 99.755 0.238 8.710 1.00 1.00 O ATOM 1157 CG2 THR X 69 101.031 -1.667 9.455 1.00 1.00 C ATOM 0 H THR X 69 100.686 1.217 6.725 1.00 1.00 H new ATOM 0 HA THR X 69 102.498 0.417 8.782 1.00 1.00 H new ATOM 0 HB THR X 69 100.347 -1.281 7.453 1.00 1.00 H new ATOM 0 HG1 THR X 69 99.146 0.423 7.965 1.00 1.00 H new ATOM 0 HG21 THR X 69 100.118 -2.186 9.746 1.00 1.00 H new ATOM 0 HG22 THR X 69 101.778 -2.395 9.139 1.00 1.00 H new ATOM 0 HG23 THR X 69 101.413 -1.101 10.305 1.00 1.00 H new ATOM 1165 N PHE X 70 102.651 -1.313 5.966 1.00 1.00 N ATOM 1166 CA PHE X 70 103.508 -2.293 5.241 1.00 1.00 C ATOM 1167 C PHE X 70 104.137 -1.609 4.026 1.00 1.00 C ATOM 1168 O PHE X 70 105.334 -1.660 3.822 1.00 1.00 O ATOM 1169 CB PHE X 70 102.653 -3.473 4.777 1.00 1.00 C ATOM 1170 CG PHE X 70 102.163 -4.244 5.979 1.00 1.00 C ATOM 1171 CD1 PHE X 70 102.950 -5.267 6.523 1.00 1.00 C ATOM 1172 CD2 PHE X 70 100.923 -3.937 6.551 1.00 1.00 C ATOM 1173 CE1 PHE X 70 102.497 -5.982 7.637 1.00 1.00 C ATOM 1174 CE2 PHE X 70 100.470 -4.652 7.665 1.00 1.00 C ATOM 1175 CZ PHE X 70 101.257 -5.675 8.208 1.00 1.00 C ATOM 0 H PHE X 70 101.848 -0.967 5.441 1.00 1.00 H new ATOM 0 HA PHE X 70 104.293 -2.655 5.905 1.00 1.00 H new ATOM 0 HB2 PHE X 70 101.806 -3.114 4.192 1.00 1.00 H new ATOM 0 HB3 PHE X 70 103.236 -4.125 4.127 1.00 1.00 H new ATOM 0 HD1 PHE X 70 103.907 -5.504 6.082 1.00 1.00 H new ATOM 0 HD2 PHE X 70 100.316 -3.148 6.132 1.00 1.00 H new ATOM 0 HE1 PHE X 70 103.104 -6.771 8.056 1.00 1.00 H new ATOM 0 HE2 PHE X 70 99.513 -4.415 8.106 1.00 1.00 H new ATOM 0 HZ PHE X 70 100.907 -6.227 9.068 1.00 1.00 H new ATOM 1185 N GLY X 71 103.338 -0.968 3.217 1.00 1.00 N ATOM 1186 CA GLY X 71 103.885 -0.305 2.000 1.00 1.00 C ATOM 1187 C GLY X 71 102.948 -0.561 0.818 1.00 1.00 C ATOM 1188 O GLY X 71 101.785 -0.864 0.991 1.00 1.00 O ATOM 0 H GLY X 71 102.331 -0.875 3.346 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.988 0.767 2.171 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.881 -0.690 1.779 1.00 1.00 H new ATOM 1192 N PRO X 72 103.461 -0.439 -0.376 1.00 1.00 N ATOM 1193 CA PRO X 72 102.672 -0.653 -1.621 1.00 1.00 C ATOM 1194 C PRO X 72 102.451 -2.140 -1.910 1.00 1.00 C ATOM 1195 O PRO X 72 101.629 -2.508 -2.726 1.00 1.00 O ATOM 1196 CB PRO X 72 103.519 -0.011 -2.730 1.00 1.00 C ATOM 1197 CG PRO X 72 104.904 0.135 -2.180 1.00 1.00 C ATOM 1198 CD PRO X 72 104.850 -0.085 -0.669 1.00 1.00 C ATOM 0 HA PRO X 72 101.676 -0.217 -1.541 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.521 -0.633 -3.625 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.112 0.959 -3.017 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.574 -0.588 -2.645 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.299 1.126 -2.405 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.531 -0.880 -0.363 1.00 1.00 H new ATOM 0 HD3 PRO X 72 105.148 0.815 -0.130 1.00 1.00 H new ATOM 1206 N GLU X 73 103.175 -2.998 -1.245 1.00 1.00 N ATOM 1207 CA GLU X 73 103.001 -4.459 -1.481 1.00 1.00 C ATOM 1208 C GLU X 73 101.581 -4.867 -1.086 1.00 1.00 C ATOM 1209 O GLU X 73 100.869 -5.492 -1.846 1.00 1.00 O ATOM 1210 CB GLU X 73 104.011 -5.238 -0.636 1.00 1.00 C ATOM 1211 CG GLU X 73 105.422 -5.000 -1.178 1.00 1.00 C ATOM 1212 CD GLU X 73 105.563 -5.664 -2.548 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.783 -6.558 -2.834 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.447 -5.268 -3.289 1.00 1.00 O ATOM 0 H GLU X 73 103.879 -2.751 -0.549 1.00 1.00 H new ATOM 0 HA GLU X 73 103.166 -4.682 -2.535 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.952 -4.921 0.405 1.00 1.00 H new ATOM 0 HB3 GLU X 73 103.776 -6.302 -0.659 1.00 1.00 H new ATOM 0 HG2 GLU X 73 105.616 -3.930 -1.259 1.00 1.00 H new ATOM 0 HG3 GLU X 73 106.161 -5.406 -0.488 1.00 1.00 H new ATOM 1221 N LYS X 74 101.163 -4.517 0.101 1.00 1.00 N ATOM 1222 CA LYS X 74 99.784 -4.870 0.539 1.00 1.00 C ATOM 1223 C LYS X 74 98.771 -4.146 -0.348 1.00 1.00 C ATOM 1224 O LYS X 74 97.762 -4.702 -0.737 1.00 1.00 O ATOM 1225 CB LYS X 74 99.586 -4.440 1.994 1.00 1.00 C ATOM 1226 CG LYS X 74 100.464 -5.301 2.905 1.00 1.00 C ATOM 1227 CD LYS X 74 99.967 -6.748 2.876 1.00 1.00 C ATOM 1228 CE LYS X 74 100.285 -7.422 4.211 1.00 1.00 C ATOM 1229 NZ LYS X 74 99.856 -8.849 4.162 1.00 1.00 N ATOM 0 H LYS X 74 101.717 -4.002 0.785 1.00 1.00 H new ATOM 0 HA LYS X 74 99.639 -5.947 0.456 1.00 1.00 H new ATOM 0 HB2 LYS X 74 99.844 -3.387 2.112 1.00 1.00 H new ATOM 0 HB3 LYS X 74 98.538 -4.545 2.276 1.00 1.00 H new ATOM 0 HG2 LYS X 74 101.502 -5.255 2.576 1.00 1.00 H new ATOM 0 HG3 LYS X 74 100.436 -4.916 3.924 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.893 -6.771 2.691 1.00 1.00 H new ATOM 0 HD3 LYS X 74 100.443 -7.291 2.060 1.00 1.00 H new ATOM 0 HE2 LYS X 74 101.354 -7.359 4.417 1.00 1.00 H new ATOM 0 HE3 LYS X 74 99.773 -6.905 5.023 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 100.072 -9.308 5.070 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.832 -8.898 3.984 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 100.364 -9.338 3.397 1.00 1.00 H new ATOM 1243 N VAL X 75 99.029 -2.909 -0.671 1.00 1.00 N ATOM 1244 CA VAL X 75 98.083 -2.152 -1.536 1.00 1.00 C ATOM 1245 C VAL X 75 98.871 -1.210 -2.449 1.00 1.00 C ATOM 1246 O VAL X 75 99.041 -0.044 -2.155 1.00 1.00 O ATOM 1247 CB VAL X 75 97.134 -1.334 -0.659 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.979 -2.221 -0.192 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.896 -0.806 0.560 1.00 1.00 C ATOM 0 H VAL X 75 99.855 -2.390 -0.373 1.00 1.00 H new ATOM 0 HA VAL X 75 97.507 -2.850 -2.143 1.00 1.00 H new ATOM 0 HB VAL X 75 96.739 -0.496 -1.233 1.00 1.00 H new ATOM 0 HG11 VAL X 75 95.302 -1.638 0.433 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.437 -2.599 -1.059 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.373 -3.059 0.383 1.00 1.00 H new ATOM 0 HG21 VAL X 75 97.221 -0.223 1.186 1.00 1.00 H new ATOM 0 HG22 VAL X 75 98.290 -1.645 1.134 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.720 -0.174 0.228 1.00 1.00 H new ATOM 1259 N PRO X 76 99.347 -1.720 -3.553 1.00 1.00 N ATOM 1260 CA PRO X 76 100.133 -0.925 -4.536 1.00 1.00 C ATOM 1261 C PRO X 76 99.379 0.321 -5.010 1.00 1.00 C ATOM 1262 O PRO X 76 98.165 0.368 -4.991 1.00 1.00 O ATOM 1263 CB PRO X 76 100.344 -1.899 -5.694 1.00 1.00 C ATOM 1264 CG PRO X 76 100.186 -3.261 -5.099 1.00 1.00 C ATOM 1265 CD PRO X 76 99.186 -3.118 -3.984 1.00 1.00 C ATOM 0 HA PRO X 76 101.062 -0.548 -4.107 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.616 -1.730 -6.488 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.332 -1.776 -6.136 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.837 -3.974 -5.846 1.00 1.00 H new ATOM 0 HG3 PRO X 76 101.138 -3.634 -4.722 1.00 1.00 H new ATOM 0 HD2 PRO X 76 98.171 -3.317 -4.328 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.390 -3.814 -3.171 1.00 1.00 H new ATOM 1273 N VAL X 77 100.089 1.330 -5.435 1.00 1.00 N ATOM 1274 CA VAL X 77 99.413 2.567 -5.917 1.00 1.00 C ATOM 1275 C VAL X 77 98.388 2.201 -6.993 1.00 1.00 C ATOM 1276 O VAL X 77 97.638 3.036 -7.459 1.00 1.00 O ATOM 1277 CB VAL X 77 100.454 3.520 -6.510 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.173 2.832 -7.671 1.00 1.00 C ATOM 1279 CG2 VAL X 77 99.757 4.783 -7.020 1.00 1.00 C ATOM 0 H VAL X 77 101.108 1.351 -5.469 1.00 1.00 H new ATOM 0 HA VAL X 77 98.908 3.053 -5.082 1.00 1.00 H new ATOM 0 HB VAL X 77 101.179 3.789 -5.742 1.00 1.00 H new ATOM 0 HG11 VAL X 77 101.914 3.511 -8.093 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.670 1.932 -7.309 1.00 1.00 H new ATOM 0 HG13 VAL X 77 100.448 2.563 -8.439 1.00 1.00 H new ATOM 0 HG21 VAL X 77 100.498 5.462 -7.442 1.00 1.00 H new ATOM 0 HG22 VAL X 77 99.032 4.514 -7.788 1.00 1.00 H new ATOM 0 HG23 VAL X 77 99.244 5.274 -6.193 1.00 1.00 H new ATOM 1289 N THR X 78 98.352 0.959 -7.392 1.00 1.00 N ATOM 1290 CA THR X 78 97.379 0.543 -8.441 1.00 1.00 C ATOM 1291 C THR X 78 95.956 0.790 -7.940 1.00 1.00 C ATOM 1292 O THR X 78 95.099 1.245 -8.672 1.00 1.00 O ATOM 1293 CB THR X 78 97.561 -0.947 -8.746 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.270 -1.705 -7.579 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.003 -1.210 -9.181 1.00 1.00 C ATOM 0 H THR X 78 98.953 0.215 -7.037 1.00 1.00 H new ATOM 0 HA THR X 78 97.552 1.122 -9.348 1.00 1.00 H new ATOM 0 HB THR X 78 96.884 -1.239 -9.549 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.384 -2.659 -7.772 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.130 -2.271 -9.397 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.225 -0.628 -10.075 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.683 -0.919 -8.381 1.00 1.00 H new ATOM 1303 N ALA X 79 95.694 0.492 -6.697 1.00 1.00 N ATOM 1304 CA ALA X 79 94.323 0.705 -6.151 1.00 1.00 C ATOM 1305 C ALA X 79 93.910 2.161 -6.370 1.00 1.00 C ATOM 1306 O ALA X 79 92.810 2.447 -6.798 1.00 1.00 O ATOM 1307 CB ALA X 79 94.316 0.392 -4.653 1.00 1.00 C ATOM 0 H ALA X 79 96.370 0.110 -6.035 1.00 1.00 H new ATOM 0 HA ALA X 79 93.621 0.046 -6.662 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.314 0.548 -4.253 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.612 -0.645 -4.497 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.017 1.051 -4.140 1.00 1.00 H new ATOM 1313 N PHE X 80 94.784 3.085 -6.077 1.00 1.00 N ATOM 1314 CA PHE X 80 94.443 4.522 -6.275 1.00 1.00 C ATOM 1315 C PHE X 80 94.149 4.776 -7.755 1.00 1.00 C ATOM 1316 O PHE X 80 93.213 5.468 -8.102 1.00 1.00 O ATOM 1317 CB PHE X 80 95.624 5.390 -5.835 1.00 1.00 C ATOM 1318 CG PHE X 80 95.774 5.308 -4.335 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.365 4.181 -3.751 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.322 6.359 -3.528 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.506 4.106 -2.360 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.463 6.284 -2.137 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.054 5.158 -1.553 1.00 1.00 C ATOM 0 H PHE X 80 95.719 2.907 -5.709 1.00 1.00 H new ATOM 0 HA PHE X 80 93.564 4.773 -5.681 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.539 5.053 -6.322 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.463 6.424 -6.140 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.712 3.370 -4.373 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.865 7.228 -3.978 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.963 3.237 -1.909 1.00 1.00 H new ATOM 0 HE2 PHE X 80 95.116 7.095 -1.515 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.162 5.100 -0.480 1.00 1.00 H new ATOM 1333 N SER X 81 94.942 4.220 -8.629 1.00 1.00 N ATOM 1334 CA SER X 81 94.709 4.428 -10.087 1.00 1.00 C ATOM 1335 C SER X 81 93.355 3.831 -10.475 1.00 1.00 C ATOM 1336 O SER X 81 92.566 4.450 -11.163 1.00 1.00 O ATOM 1337 CB SER X 81 95.819 3.743 -10.883 1.00 1.00 C ATOM 1338 OG SER X 81 97.073 4.309 -10.525 1.00 1.00 O ATOM 0 H SER X 81 95.741 3.631 -8.397 1.00 1.00 H new ATOM 0 HA SER X 81 94.712 5.495 -10.309 1.00 1.00 H new ATOM 0 HB2 SER X 81 95.820 2.672 -10.680 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.644 3.865 -11.952 1.00 1.00 H new ATOM 0 HG SER X 81 97.787 3.870 -11.033 1.00 1.00 H new ATOM 1344 N TYR X 82 93.078 2.632 -10.039 1.00 1.00 N ATOM 1345 CA TYR X 82 91.772 2.000 -10.378 1.00 1.00 C ATOM 1346 C TYR X 82 90.633 2.819 -9.769 1.00 1.00 C ATOM 1347 O TYR X 82 89.615 3.043 -10.390 1.00 1.00 O ATOM 1348 CB TYR X 82 91.734 0.574 -9.821 1.00 1.00 C ATOM 1349 CG TYR X 82 92.407 -0.368 -10.790 1.00 1.00 C ATOM 1350 CD1 TYR X 82 91.787 -0.681 -12.005 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.650 -0.930 -10.475 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.408 -1.553 -12.906 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.273 -1.803 -11.376 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.652 -2.115 -12.592 1.00 1.00 C ATOM 1355 OH TYR X 82 94.264 -2.975 -13.479 1.00 1.00 O ATOM 0 H TYR X 82 93.699 2.064 -9.463 1.00 1.00 H new ATOM 0 HA TYR X 82 91.655 1.969 -11.461 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.236 0.537 -8.854 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.702 0.265 -9.656 1.00 1.00 H new ATOM 0 HD1 TYR X 82 90.827 -0.249 -12.248 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.129 -0.690 -9.537 1.00 1.00 H new ATOM 0 HE1 TYR X 82 91.928 -1.793 -13.843 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.232 -2.236 -11.133 1.00 1.00 H new ATOM 0 HH TYR X 82 94.524 -3.796 -13.012 1.00 1.00 H new ATOM 1365 N TRP X 83 90.798 3.271 -8.555 1.00 1.00 N ATOM 1366 CA TRP X 83 89.724 4.080 -7.911 1.00 1.00 C ATOM 1367 C TRP X 83 89.491 5.353 -8.725 1.00 1.00 C ATOM 1368 O TRP X 83 88.375 5.808 -8.880 1.00 1.00 O ATOM 1369 CB TRP X 83 90.153 4.454 -6.491 1.00 1.00 C ATOM 1370 CG TRP X 83 88.945 4.542 -5.613 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.209 5.658 -5.413 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.321 3.492 -4.818 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.173 5.362 -4.546 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.199 4.038 -4.151 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.616 2.132 -4.613 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.399 3.264 -3.311 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.812 1.350 -3.767 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.706 1.915 -3.118 1.00 1.00 C ATOM 0 H TRP X 83 91.628 3.115 -7.983 1.00 1.00 H new ATOM 0 HA TRP X 83 88.802 3.499 -7.872 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.846 3.709 -6.101 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.681 5.408 -6.498 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.399 6.624 -5.858 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.475 6.038 -4.236 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.466 1.686 -5.109 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.548 3.705 -2.813 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 88.048 0.307 -3.616 1.00 1.00 H new ATOM 0 HH2 TRP X 83 86.092 1.308 -2.469 1.00 1.00 H new ATOM 1389 N ASN X 84 90.535 5.931 -9.251 1.00 1.00 N ATOM 1390 CA ASN X 84 90.374 7.169 -10.062 1.00 1.00 C ATOM 1391 C ASN X 84 89.390 6.899 -11.202 1.00 1.00 C ATOM 1392 O ASN X 84 88.518 7.696 -11.486 1.00 1.00 O ATOM 1393 CB ASN X 84 91.728 7.584 -10.640 1.00 1.00 C ATOM 1394 CG ASN X 84 92.698 7.895 -9.498 1.00 1.00 C ATOM 1395 OD1 ASN X 84 93.884 7.656 -9.610 1.00 1.00 O ATOM 1396 ND2 ASN X 84 92.241 8.423 -8.396 1.00 1.00 N ATOM 0 H ASN X 84 91.494 5.598 -9.154 1.00 1.00 H new ATOM 0 HA ASN X 84 89.992 7.972 -9.432 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.129 6.785 -11.264 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.610 8.459 -11.279 1.00 1.00 H new ATOM 0 HD21 ASN X 84 92.879 8.635 -7.629 1.00 1.00 H new ATOM 0 HD22 ASN X 84 91.245 8.624 -8.301 1.00 1.00 H new ATOM 1403 N LEU X 85 89.526 5.778 -11.858 1.00 1.00 N ATOM 1404 CA LEU X 85 88.581 5.438 -12.960 1.00 1.00 C ATOM 1405 C LEU X 85 87.178 5.232 -12.386 1.00 1.00 C ATOM 1406 O LEU X 85 86.193 5.644 -12.967 1.00 1.00 O ATOM 1407 CB LEU X 85 89.044 4.154 -13.650 1.00 1.00 C ATOM 1408 CG LEU X 85 90.414 4.383 -14.289 1.00 1.00 C ATOM 1409 CD1 LEU X 85 90.908 3.081 -14.922 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.296 5.460 -15.368 1.00 1.00 C ATOM 0 H LEU X 85 90.251 5.083 -11.678 1.00 1.00 H new ATOM 0 HA LEU X 85 88.560 6.253 -13.684 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.100 3.340 -12.927 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.322 3.856 -14.410 1.00 1.00 H new ATOM 0 HG LEU X 85 91.122 4.706 -13.525 1.00 1.00 H new ATOM 0 HD11 LEU X 85 91.885 3.245 -15.377 1.00 1.00 H new ATOM 0 HD12 LEU X 85 90.990 2.312 -14.154 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.201 2.757 -15.686 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.272 5.625 -15.825 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.588 5.135 -16.131 1.00 1.00 H new ATOM 0 HD23 LEU X 85 89.944 6.388 -14.918 1.00 1.00 H new ATOM 1422 N ILE X 86 87.078 4.599 -11.250 1.00 1.00 N ATOM 1423 CA ILE X 86 85.739 4.384 -10.633 1.00 1.00 C ATOM 1424 C ILE X 86 85.098 5.738 -10.326 1.00 1.00 C ATOM 1425 O ILE X 86 83.920 5.943 -10.543 1.00 1.00 O ATOM 1426 CB ILE X 86 85.898 3.590 -9.335 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.071 2.105 -9.662 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.651 3.776 -8.467 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.697 1.452 -9.820 1.00 1.00 C ATOM 0 H ILE X 86 87.865 4.221 -10.722 1.00 1.00 H new ATOM 0 HA ILE X 86 85.104 3.829 -11.324 1.00 1.00 H new ATOM 0 HB ILE X 86 86.775 3.949 -8.796 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.648 1.989 -10.580 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.631 1.610 -8.869 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.764 3.210 -7.542 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.525 4.833 -8.233 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.775 3.417 -9.007 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.821 0.394 -10.053 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.136 1.556 -8.891 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.153 1.940 -10.629 1.00 1.00 H new ATOM 1441 N LYS X 87 85.865 6.666 -9.821 1.00 1.00 N ATOM 1442 CA LYS X 87 85.299 8.004 -9.492 1.00 1.00 C ATOM 1443 C LYS X 87 84.686 8.622 -10.750 1.00 1.00 C ATOM 1444 O LYS X 87 83.640 9.238 -10.704 1.00 1.00 O ATOM 1445 CB LYS X 87 86.412 8.913 -8.967 1.00 1.00 C ATOM 1446 CG LYS X 87 85.816 10.254 -8.535 1.00 1.00 C ATOM 1447 CD LYS X 87 86.919 11.138 -7.949 1.00 1.00 C ATOM 1448 CE LYS X 87 86.317 12.470 -7.496 1.00 1.00 C ATOM 1449 NZ LYS X 87 87.394 13.340 -6.945 1.00 1.00 N ATOM 0 H LYS X 87 86.859 6.555 -9.622 1.00 1.00 H new ATOM 0 HA LYS X 87 84.528 7.895 -8.729 1.00 1.00 H new ATOM 0 HB2 LYS X 87 86.916 8.439 -8.125 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.163 9.070 -9.741 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.353 10.750 -9.388 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.032 10.094 -7.795 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.393 10.636 -7.106 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.695 11.312 -8.694 1.00 1.00 H new ATOM 0 HE2 LYS X 87 85.829 12.965 -8.336 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.552 12.297 -6.739 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 86.985 14.245 -6.637 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 87.841 12.868 -6.133 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.109 13.515 -7.680 1.00 1.00 H new ATOM 1463 N GLU X 88 85.329 8.463 -11.875 1.00 1.00 N ATOM 1464 CA GLU X 88 84.785 9.049 -13.133 1.00 1.00 C ATOM 1465 C GLU X 88 83.540 8.270 -13.559 1.00 1.00 C ATOM 1466 O GLU X 88 82.586 8.831 -14.061 1.00 1.00 O ATOM 1467 CB GLU X 88 85.843 8.965 -14.236 1.00 1.00 C ATOM 1468 CG GLU X 88 87.008 9.897 -13.902 1.00 1.00 C ATOM 1469 CD GLU X 88 88.134 9.692 -14.917 1.00 1.00 C ATOM 1470 OE1 GLU X 88 87.936 8.923 -15.844 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.174 10.308 -14.752 1.00 1.00 O ATOM 0 H GLU X 88 86.207 7.953 -11.977 1.00 1.00 H new ATOM 0 HA GLU X 88 84.521 10.093 -12.964 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.201 7.940 -14.333 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.406 9.242 -15.195 1.00 1.00 H new ATOM 0 HG2 GLU X 88 86.674 10.934 -13.919 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.371 9.695 -12.894 1.00 1.00 H new ATOM 1478 N LEU X 89 83.539 6.981 -13.359 1.00 1.00 N ATOM 1479 CA LEU X 89 82.363 6.164 -13.772 1.00 1.00 C ATOM 1480 C LEU X 89 81.149 6.559 -12.929 1.00 1.00 C ATOM 1481 O LEU X 89 80.054 6.709 -13.432 1.00 1.00 O ATOM 1482 CB LEU X 89 82.672 4.681 -13.558 1.00 1.00 C ATOM 1483 CG LEU X 89 83.259 4.090 -14.842 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.659 4.660 -15.074 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.344 2.568 -14.710 1.00 1.00 C ATOM 0 H LEU X 89 84.301 6.458 -12.928 1.00 1.00 H new ATOM 0 HA LEU X 89 82.148 6.341 -14.826 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.376 4.561 -12.735 1.00 1.00 H new ATOM 0 HB3 LEU X 89 81.764 4.146 -13.281 1.00 1.00 H new ATOM 0 HG LEU X 89 82.618 4.347 -15.686 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.076 4.239 -15.989 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.599 5.744 -15.168 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.300 4.404 -14.231 1.00 1.00 H new ATOM 0 HD21 LEU X 89 83.762 2.146 -15.624 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.984 2.311 -13.866 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.346 2.161 -14.546 1.00 1.00 H new ATOM 1497 N ILE X 90 81.336 6.730 -11.649 1.00 1.00 N ATOM 1498 CA ILE X 90 80.189 7.092 -10.770 1.00 1.00 C ATOM 1499 C ILE X 90 79.893 8.587 -10.913 1.00 1.00 C ATOM 1500 O ILE X 90 78.810 9.046 -10.605 1.00 1.00 O ATOM 1501 CB ILE X 90 80.543 6.778 -9.316 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.737 7.632 -8.885 1.00 1.00 C ATOM 1503 CG2 ILE X 90 80.905 5.297 -9.186 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.275 7.120 -7.548 1.00 1.00 C ATOM 0 H ILE X 90 82.234 6.635 -11.174 1.00 1.00 H new ATOM 0 HA ILE X 90 79.310 6.517 -11.061 1.00 1.00 H new ATOM 0 HB ILE X 90 79.687 7.001 -8.679 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.519 7.591 -9.643 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.437 8.676 -8.792 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.157 5.074 -8.149 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.056 4.687 -9.492 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.761 5.074 -9.824 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.126 7.728 -7.241 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.492 7.183 -6.792 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.591 6.083 -7.656 1.00 1.00 H new ATOM 1516 N ASP X 91 80.845 9.349 -11.375 1.00 1.00 N ATOM 1517 CA ASP X 91 80.620 10.814 -11.528 1.00 1.00 C ATOM 1518 C ASP X 91 79.494 11.055 -12.536 1.00 1.00 C ATOM 1519 O ASP X 91 78.562 11.790 -12.279 1.00 1.00 O ATOM 1520 CB ASP X 91 81.904 11.480 -12.029 1.00 1.00 C ATOM 1521 CG ASP X 91 81.676 12.985 -12.178 1.00 1.00 C ATOM 1522 OD1 ASP X 91 80.558 13.419 -11.961 1.00 1.00 O ATOM 1523 OD2 ASP X 91 82.626 13.677 -12.506 1.00 1.00 O ATOM 0 H ASP X 91 81.770 9.021 -11.653 1.00 1.00 H new ATOM 0 HA ASP X 91 80.343 11.240 -10.564 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.719 11.293 -11.330 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.199 11.050 -12.986 1.00 1.00 H new ATOM 1528 N LYS X 92 79.572 10.438 -13.684 1.00 1.00 N ATOM 1529 CA LYS X 92 78.502 10.622 -14.705 1.00 1.00 C ATOM 1530 C LYS X 92 77.175 10.092 -14.157 1.00 1.00 C ATOM 1531 O LYS X 92 76.132 10.688 -14.341 1.00 1.00 O ATOM 1532 CB LYS X 92 78.872 9.855 -15.976 1.00 1.00 C ATOM 1533 CG LYS X 92 80.045 10.551 -16.670 1.00 1.00 C ATOM 1534 CD LYS X 92 80.391 9.804 -17.959 1.00 1.00 C ATOM 1535 CE LYS X 92 81.514 10.542 -18.691 1.00 1.00 C ATOM 1536 NZ LYS X 92 81.793 9.863 -19.987 1.00 1.00 N ATOM 0 H LYS X 92 80.331 9.814 -13.959 1.00 1.00 H new ATOM 0 HA LYS X 92 78.401 11.682 -14.937 1.00 1.00 H new ATOM 0 HB2 LYS X 92 79.140 8.828 -15.728 1.00 1.00 H new ATOM 0 HB3 LYS X 92 78.015 9.808 -16.647 1.00 1.00 H new ATOM 0 HG2 LYS X 92 79.786 11.586 -16.895 1.00 1.00 H new ATOM 0 HG3 LYS X 92 80.910 10.576 -16.008 1.00 1.00 H new ATOM 0 HD2 LYS X 92 80.701 8.785 -17.729 1.00 1.00 H new ATOM 0 HD3 LYS X 92 79.511 9.733 -18.598 1.00 1.00 H new ATOM 0 HE2 LYS X 92 81.228 11.579 -18.866 1.00 1.00 H new ATOM 0 HE3 LYS X 92 82.414 10.559 -18.076 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 82.556 10.365 -20.484 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 82.083 8.880 -19.809 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 80.935 9.869 -20.574 1.00 1.00 H new ATOM 1550 N LYS X 93 77.204 8.972 -13.485 1.00 1.00 N ATOM 1551 CA LYS X 93 75.945 8.408 -12.921 1.00 1.00 C ATOM 1552 C LYS X 93 75.496 9.251 -11.726 1.00 1.00 C ATOM 1553 O LYS X 93 76.298 9.677 -10.919 1.00 1.00 O ATOM 1554 CB LYS X 93 76.190 6.967 -12.468 1.00 1.00 C ATOM 1555 CG LYS X 93 76.405 6.074 -13.691 1.00 1.00 C ATOM 1556 CD LYS X 93 76.620 4.630 -13.238 1.00 1.00 C ATOM 1557 CE LYS X 93 76.804 3.733 -14.464 1.00 1.00 C ATOM 1558 NZ LYS X 93 76.959 2.316 -14.023 1.00 1.00 N ATOM 0 H LYS X 93 78.045 8.424 -13.303 1.00 1.00 H new ATOM 0 HA LYS X 93 75.167 8.421 -13.685 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.062 6.924 -11.816 1.00 1.00 H new ATOM 0 HB3 LYS X 93 75.340 6.608 -11.888 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.542 6.133 -14.354 1.00 1.00 H new ATOM 0 HG3 LYS X 93 77.268 6.420 -14.260 1.00 1.00 H new ATOM 0 HD2 LYS X 93 77.496 4.567 -12.593 1.00 1.00 H new ATOM 0 HD3 LYS X 93 75.767 4.291 -12.651 1.00 1.00 H new ATOM 0 HE2 LYS X 93 75.945 3.827 -15.129 1.00 1.00 H new ATOM 0 HE3 LYS X 93 77.681 4.047 -15.030 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 77.084 1.705 -14.855 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 77.791 2.234 -13.405 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 76.110 2.020 -13.501 1.00 1.00 H new ATOM 1572 N GLU X 94 74.220 9.494 -11.606 1.00 1.00 N ATOM 1573 CA GLU X 94 73.721 10.305 -10.459 1.00 1.00 C ATOM 1574 C GLU X 94 73.729 9.453 -9.188 1.00 1.00 C ATOM 1575 O GLU X 94 72.777 8.759 -8.887 1.00 1.00 O ATOM 1576 CB GLU X 94 72.293 10.771 -10.751 1.00 1.00 C ATOM 1577 CG GLU X 94 72.298 11.712 -11.957 1.00 1.00 C ATOM 1578 CD GLU X 94 72.165 10.896 -13.244 1.00 1.00 C ATOM 1579 OE1 GLU X 94 72.253 9.682 -13.163 1.00 1.00 O ATOM 1580 OE2 GLU X 94 71.975 11.499 -14.288 1.00 1.00 O ATOM 0 H GLU X 94 73.502 9.167 -12.252 1.00 1.00 H new ATOM 0 HA GLU X 94 74.367 11.172 -10.318 1.00 1.00 H new ATOM 0 HB2 GLU X 94 71.653 9.912 -10.950 1.00 1.00 H new ATOM 0 HB3 GLU X 94 71.881 11.281 -9.880 1.00 1.00 H new ATOM 0 HG2 GLU X 94 71.476 12.424 -11.879 1.00 1.00 H new ATOM 0 HG3 GLU X 94 73.221 12.291 -11.975 1.00 1.00 H new ATOM 1587 N VAL X 95 74.796 9.499 -8.438 1.00 1.00 N ATOM 1588 CA VAL X 95 74.865 8.693 -7.187 1.00 1.00 C ATOM 1589 C VAL X 95 74.837 9.625 -5.974 1.00 1.00 C ATOM 1590 O VAL X 95 74.992 10.824 -6.095 1.00 1.00 O ATOM 1591 CB VAL X 95 76.162 7.882 -7.177 1.00 1.00 C ATOM 1592 CG1 VAL X 95 77.359 8.833 -7.201 1.00 1.00 C ATOM 1593 CG2 VAL X 95 76.215 7.028 -5.909 1.00 1.00 C ATOM 0 H VAL X 95 75.624 10.061 -8.638 1.00 1.00 H new ATOM 0 HA VAL X 95 74.011 8.017 -7.143 1.00 1.00 H new ATOM 0 HB VAL X 95 76.195 7.236 -8.054 1.00 1.00 H new ATOM 0 HG11 VAL X 95 78.283 8.255 -7.194 1.00 1.00 H new ATOM 0 HG12 VAL X 95 77.320 9.444 -8.103 1.00 1.00 H new ATOM 0 HG13 VAL X 95 77.328 9.479 -6.323 1.00 1.00 H new ATOM 0 HG21 VAL X 95 77.138 6.449 -5.899 1.00 1.00 H new ATOM 0 HG22 VAL X 95 76.183 7.675 -5.033 1.00 1.00 H new ATOM 0 HG23 VAL X 95 75.361 6.350 -5.891 1.00 1.00 H new ATOM 1603 N ASN X 96 74.641 9.085 -4.802 1.00 1.00 N ATOM 1604 CA ASN X 96 74.598 9.940 -3.583 1.00 1.00 C ATOM 1605 C ASN X 96 75.916 10.706 -3.446 1.00 1.00 C ATOM 1606 O ASN X 96 76.944 10.137 -3.135 1.00 1.00 O ATOM 1607 CB ASN X 96 74.388 9.061 -2.348 1.00 1.00 C ATOM 1608 CG ASN X 96 73.515 9.803 -1.334 1.00 1.00 C ATOM 1609 OD1 ASN X 96 72.778 9.191 -0.587 1.00 1.00 O ATOM 1610 ND2 ASN X 96 73.567 11.106 -1.276 1.00 1.00 N ATOM 0 H ASN X 96 74.509 8.087 -4.636 1.00 1.00 H new ATOM 0 HA ASN X 96 73.774 10.649 -3.669 1.00 1.00 H new ATOM 0 HB2 ASN X 96 73.914 8.122 -2.634 1.00 1.00 H new ATOM 0 HB3 ASN X 96 75.349 8.809 -1.900 1.00 1.00 H new ATOM 0 HD21 ASN X 96 72.989 11.610 -0.604 1.00 1.00 H new ATOM 0 HD22 ASN X 96 74.186 11.620 -1.903 1.00 1.00 H new ATOM 1617 N PRO X 97 75.880 11.989 -3.681 1.00 1.00 N ATOM 1618 CA PRO X 97 77.086 12.861 -3.589 1.00 1.00 C ATOM 1619 C PRO X 97 77.674 12.894 -2.175 1.00 1.00 C ATOM 1620 O PRO X 97 77.355 12.071 -1.341 1.00 1.00 O ATOM 1621 CB PRO X 97 76.561 14.242 -3.982 1.00 1.00 C ATOM 1622 CG PRO X 97 75.273 13.988 -4.695 1.00 1.00 C ATOM 1623 CD PRO X 97 74.680 12.751 -4.061 1.00 1.00 C ATOM 0 HA PRO X 97 77.895 12.503 -4.225 1.00 1.00 H new ATOM 0 HB2 PRO X 97 76.407 14.868 -3.103 1.00 1.00 H new ATOM 0 HB3 PRO X 97 77.270 14.764 -4.625 1.00 1.00 H new ATOM 0 HG2 PRO X 97 74.598 14.838 -4.596 1.00 1.00 H new ATOM 0 HG3 PRO X 97 75.441 13.837 -5.761 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.061 12.993 -3.197 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.051 12.198 -4.758 1.00 1.00 H new ATOM 1631 N GLN X 98 78.530 13.840 -1.900 1.00 1.00 N ATOM 1632 CA GLN X 98 79.135 13.924 -0.541 1.00 1.00 C ATOM 1633 C GLN X 98 78.039 14.210 0.489 1.00 1.00 C ATOM 1634 O GLN X 98 78.029 13.657 1.570 1.00 1.00 O ATOM 1635 CB GLN X 98 80.172 15.050 -0.512 1.00 1.00 C ATOM 1636 CG GLN X 98 81.360 14.675 -1.401 1.00 1.00 C ATOM 1637 CD GLN X 98 82.344 15.845 -1.458 1.00 1.00 C ATOM 1638 OE1 GLN X 98 82.176 16.830 -0.768 1.00 1.00 O ATOM 1639 NE2 GLN X 98 83.373 15.777 -2.258 1.00 1.00 N ATOM 0 H GLN X 98 78.836 14.558 -2.557 1.00 1.00 H new ATOM 0 HA GLN X 98 79.621 12.978 -0.300 1.00 1.00 H new ATOM 0 HB2 GLN X 98 79.724 15.980 -0.860 1.00 1.00 H new ATOM 0 HB3 GLN X 98 80.509 15.222 0.510 1.00 1.00 H new ATOM 0 HG2 GLN X 98 81.856 13.788 -1.008 1.00 1.00 H new ATOM 0 HG3 GLN X 98 81.013 14.428 -2.405 1.00 1.00 H new ATOM 0 HE21 GLN X 98 83.514 14.950 -2.838 1.00 1.00 H new ATOM 0 HE22 GLN X 98 84.036 16.551 -2.303 1.00 1.00 H new ATOM 1648 N VAL X 99 77.116 15.072 0.159 1.00 1.00 N ATOM 1649 CA VAL X 99 76.017 15.388 1.115 1.00 1.00 C ATOM 1650 C VAL X 99 74.669 15.259 0.402 1.00 1.00 C ATOM 1651 O VAL X 99 74.480 15.767 -0.686 1.00 1.00 O ATOM 1652 CB VAL X 99 76.185 16.816 1.634 1.00 1.00 C ATOM 1653 CG1 VAL X 99 74.935 17.230 2.412 1.00 1.00 C ATOM 1654 CG2 VAL X 99 77.404 16.882 2.557 1.00 1.00 C ATOM 0 H VAL X 99 77.075 15.570 -0.730 1.00 1.00 H new ATOM 0 HA VAL X 99 76.054 14.692 1.953 1.00 1.00 H new ATOM 0 HB VAL X 99 76.328 17.493 0.792 1.00 1.00 H new ATOM 0 HG11 VAL X 99 75.057 18.248 2.781 1.00 1.00 H new ATOM 0 HG12 VAL X 99 74.066 17.183 1.756 1.00 1.00 H new ATOM 0 HG13 VAL X 99 74.790 16.554 3.254 1.00 1.00 H new ATOM 0 HG21 VAL X 99 77.525 17.900 2.928 1.00 1.00 H new ATOM 0 HG22 VAL X 99 77.260 16.204 3.398 1.00 1.00 H new ATOM 0 HG23 VAL X 99 78.296 16.589 2.003 1.00 1.00 H new ATOM 1664 N MET X 100 73.728 14.587 1.007 1.00 1.00 N ATOM 1665 CA MET X 100 72.391 14.436 0.366 1.00 1.00 C ATOM 1666 C MET X 100 71.586 15.723 0.560 1.00 1.00 C ATOM 1667 O MET X 100 70.768 15.756 1.465 1.00 1.00 O ATOM 1668 CB MET X 100 71.647 13.267 1.013 1.00 1.00 C ATOM 1669 CG MET X 100 70.303 13.067 0.310 1.00 1.00 C ATOM 1670 SD MET X 100 69.465 11.624 1.010 1.00 1.00 S ATOM 1671 CE MET X 100 69.177 12.307 2.661 1.00 1.00 C ATOM 1672 OXT MET X 100 71.801 16.653 -0.200 1.00 1.00 O ATOM 0 H MET X 100 73.827 14.136 1.917 1.00 1.00 H new ATOM 0 HA MET X 100 72.516 14.243 -0.699 1.00 1.00 H new ATOM 0 HB2 MET X 100 72.245 12.358 0.943 1.00 1.00 H new ATOM 0 HB3 MET X 100 71.489 13.464 2.073 1.00 1.00 H new ATOM 0 HG2 MET X 100 69.682 13.955 0.430 1.00 1.00 H new ATOM 0 HG3 MET X 100 70.457 12.928 -0.760 1.00 1.00 H new ATOM 0 HE1 MET X 100 68.289 11.847 3.095 1.00 1.00 H new ATOM 0 HE2 MET X 100 70.039 12.101 3.295 1.00 1.00 H new ATOM 0 HE3 MET X 100 69.029 13.384 2.588 1.00 1.00 H new TER 1682 MET X 100