USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 651 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 6 SER OG : rot -28:sc= -0.262 USER MOD Single : X 7 GLN : amide:sc= -0.0225 K(o=-0.022,f=-1.7!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 16 LYS NZ :NH3+ -167:sc= -0.0217 (180deg=-0.344) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : X 20 LYS NZ :NH3+ -135:sc= -0.093 (180deg=-0.619) USER MOD Single : X 21 THR OG1 : rot 80:sc= 0.216 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 82:sc= 0.652 USER MOD Single : X 64 GLN : amide:sc= -3.41 K(o=-3.4,f=-4.3!) 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= 0.7 K(o=0.7,f=-6.1!) USER MOD Single : X 69 THR OG1 : rot 63:sc= 1.19 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -85:sc= 0.605 USER MOD Single : X 84 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.84) USER MOD Single : X 87 LYS NZ :NH3+ 168:sc= 0.165 (180deg=0.127) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 69.166 0.293 -10.325 1.00 1.00 N ATOM 79 CA SER X 6 69.500 1.613 -9.805 1.00 1.00 C ATOM 80 C SER X 6 70.974 1.923 -10.041 1.00 1.00 C ATOM 81 O SER X 6 71.771 1.026 -10.315 1.00 1.00 O ATOM 82 CB SER X 6 69.194 1.679 -8.308 1.00 1.00 C ATOM 83 OG SER X 6 69.803 0.574 -7.657 1.00 1.00 O ATOM 0 HA SER X 6 68.896 2.353 -10.330 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.567 2.614 -7.889 1.00 1.00 H new ATOM 0 HB3 SER X 6 68.117 1.664 -8.144 1.00 1.00 H new ATOM 0 HG SER X 6 69.880 -0.174 -8.285 1.00 1.00 H new ATOM 89 N GLN X 7 71.327 3.199 -9.941 1.00 1.00 N ATOM 90 CA GLN X 7 72.706 3.622 -10.154 1.00 1.00 C ATOM 91 C GLN X 7 73.628 2.997 -9.113 1.00 1.00 C ATOM 92 O GLN X 7 74.786 2.694 -9.399 1.00 1.00 O ATOM 93 CB GLN X 7 72.802 5.148 -10.072 1.00 1.00 C ATOM 94 CG GLN X 7 74.240 5.587 -10.356 1.00 1.00 C ATOM 95 CD GLN X 7 74.315 7.107 -10.447 1.00 1.00 C ATOM 96 OE1 GLN X 7 73.289 7.773 -10.591 1.00 1.00 O ATOM 97 NE2 GLN X 7 75.475 7.699 -10.374 1.00 1.00 N ATOM 0 H GLN X 7 70.681 3.955 -9.715 1.00 1.00 H new ATOM 0 HA GLN X 7 73.018 3.289 -11.144 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.123 5.605 -10.792 1.00 1.00 H new ATOM 0 HB3 GLN X 7 72.495 5.489 -9.083 1.00 1.00 H new ATOM 0 HG2 GLN X 7 74.901 5.229 -9.566 1.00 1.00 H new ATOM 0 HG3 GLN X 7 74.587 5.141 -11.288 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.323 7.146 -10.255 1.00 1.00 H new ATOM 0 HE22 GLN X 7 75.534 8.715 -10.436 1.00 1.00 H new ATOM 106 N HIS X 8 73.110 2.811 -7.905 1.00 1.00 N ATOM 107 CA HIS X 8 73.900 2.224 -6.831 1.00 1.00 C ATOM 108 C HIS X 8 74.225 0.768 -7.149 1.00 1.00 C ATOM 109 O HIS X 8 75.342 0.306 -6.921 1.00 1.00 O ATOM 110 CB HIS X 8 73.135 2.311 -5.511 1.00 1.00 C ATOM 111 CG HIS X 8 72.963 3.755 -5.125 1.00 1.00 C ATOM 112 ND1 HIS X 8 71.804 4.459 -5.408 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.793 4.642 -4.485 1.00 1.00 C ATOM 114 CE1 HIS X 8 71.964 5.712 -4.943 1.00 1.00 C ATOM 115 NE2 HIS X 8 73.160 5.877 -4.371 1.00 1.00 N ATOM 0 H HIS X 8 72.154 3.056 -7.646 1.00 1.00 H new ATOM 0 HA HIS X 8 74.833 2.780 -6.739 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.161 1.832 -5.611 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.675 1.776 -4.730 1.00 1.00 H new ATOM 0 HD2 HIS X 8 74.786 4.416 -4.125 1.00 1.00 H new ATOM 0 HE1 HIS X 8 71.217 6.488 -5.023 1.00 1.00 H new ATOM 0 HE2 HIS X 8 73.530 6.726 -3.943 1.00 1.00 H new ATOM 123 N GLU X 9 73.239 0.051 -7.682 1.00 1.00 N ATOM 124 CA GLU X 9 73.435 -1.351 -8.033 1.00 1.00 C ATOM 125 C GLU X 9 74.421 -1.487 -9.189 1.00 1.00 C ATOM 126 O GLU X 9 75.317 -2.330 -9.155 1.00 1.00 O ATOM 127 CB GLU X 9 72.096 -1.982 -8.420 1.00 1.00 C ATOM 128 CG GLU X 9 71.222 -2.133 -7.173 1.00 1.00 C ATOM 129 CD GLU X 9 69.873 -2.732 -7.553 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.730 -3.144 -8.693 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.004 -2.779 -6.698 1.00 1.00 O ATOM 0 H GLU X 9 72.306 0.414 -7.878 1.00 1.00 H new ATOM 0 HA GLU X 9 73.844 -1.869 -7.165 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.589 -1.361 -9.159 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.261 -2.956 -8.881 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.721 -2.772 -6.444 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.078 -1.162 -6.700 1.00 1.00 H new ATOM 138 N ARG X 10 74.252 -0.653 -10.209 1.00 1.00 N ATOM 139 CA ARG X 10 75.132 -0.688 -11.369 1.00 1.00 C ATOM 140 C ARG X 10 76.554 -0.302 -10.975 1.00 1.00 C ATOM 141 O ARG X 10 77.525 -0.849 -11.498 1.00 1.00 O ATOM 142 CB ARG X 10 74.616 0.279 -12.432 1.00 1.00 C ATOM 143 CG ARG X 10 73.255 -0.204 -12.931 1.00 1.00 C ATOM 144 CD ARG X 10 72.692 0.796 -13.941 1.00 1.00 C ATOM 145 NE ARG X 10 73.557 0.873 -15.112 1.00 1.00 N ATOM 146 CZ ARG X 10 73.293 1.712 -16.109 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.237 2.476 -16.056 1.00 1.00 N ATOM 148 NH2 ARG X 10 74.090 1.771 -17.140 1.00 1.00 N ATOM 0 H ARG X 10 73.517 0.052 -10.256 1.00 1.00 H new ATOM 0 HA ARG X 10 75.143 -1.702 -11.768 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.529 1.283 -12.016 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.321 0.337 -13.261 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.354 -1.186 -13.394 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.568 -0.315 -12.092 1.00 1.00 H new ATOM 0 HD2 ARG X 10 71.688 0.495 -14.241 1.00 1.00 H new ATOM 0 HD3 ARG X 10 72.605 1.780 -13.479 1.00 1.00 H new ATOM 0 HE ARG X 10 74.380 0.272 -15.167 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.614 2.430 -15.250 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.034 3.120 -16.821 1.00 1.00 H new ATOM 0 HH21 ARG X 10 74.916 1.173 -17.181 1.00 1.00 H new ATOM 0 HH22 ARG X 10 73.888 2.415 -17.905 1.00 1.00 H new ATOM 162 N TYR X 11 76.666 0.650 -10.054 1.00 1.00 N ATOM 163 CA TYR X 11 77.971 1.112 -9.599 1.00 1.00 C ATOM 164 C TYR X 11 78.765 -0.047 -9.006 1.00 1.00 C ATOM 165 O TYR X 11 79.946 -0.225 -9.308 1.00 1.00 O ATOM 166 CB TYR X 11 77.798 2.212 -8.549 1.00 1.00 C ATOM 167 CG TYR X 11 79.151 2.636 -8.030 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.010 3.372 -8.856 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.551 2.295 -6.733 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.267 3.768 -8.384 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.807 2.691 -6.260 1.00 1.00 C ATOM 172 CZ TYR X 11 81.666 3.428 -7.086 1.00 1.00 C ATOM 173 OH TYR X 11 82.904 3.818 -6.619 1.00 1.00 O ATOM 0 H TYR X 11 75.873 1.114 -9.611 1.00 1.00 H new ATOM 0 HA TYR X 11 78.517 1.513 -10.453 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.281 3.067 -8.985 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.179 1.850 -7.728 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.702 3.634 -9.858 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.890 1.726 -6.097 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.929 4.336 -9.021 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.114 2.429 -5.258 1.00 1.00 H new ATOM 0 HH TYR X 11 83.021 3.501 -5.699 1.00 1.00 H new ATOM 183 N VAL X 12 78.106 -0.842 -8.170 1.00 1.00 N ATOM 184 CA VAL X 12 78.759 -1.988 -7.553 1.00 1.00 C ATOM 185 C VAL X 12 79.180 -2.987 -8.611 1.00 1.00 C ATOM 186 O VAL X 12 80.302 -3.479 -8.595 1.00 1.00 O ATOM 187 CB VAL X 12 77.816 -2.666 -6.561 1.00 1.00 C ATOM 188 CG1 VAL X 12 78.328 -4.070 -6.231 1.00 1.00 C ATOM 189 CG2 VAL X 12 77.781 -1.850 -5.276 1.00 1.00 C ATOM 0 H VAL X 12 77.129 -0.715 -7.906 1.00 1.00 H new ATOM 0 HA VAL X 12 79.643 -1.633 -7.023 1.00 1.00 H new ATOM 0 HB VAL X 12 76.821 -2.733 -7.000 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.650 -4.547 -5.523 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.376 -4.664 -7.144 1.00 1.00 H new ATOM 0 HG13 VAL X 12 79.323 -4.000 -5.791 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.110 -2.326 -4.561 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.784 -1.796 -4.852 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.424 -0.843 -5.494 1.00 1.00 H new ATOM 199 N GLU X 13 78.275 -3.289 -9.528 1.00 1.00 N ATOM 200 CA GLU X 13 78.582 -4.242 -10.585 1.00 1.00 C ATOM 201 C GLU X 13 79.923 -3.919 -11.225 1.00 1.00 C ATOM 202 O GLU X 13 80.705 -4.818 -11.530 1.00 1.00 O ATOM 203 CB GLU X 13 77.493 -4.224 -11.656 1.00 1.00 C ATOM 204 CG GLU X 13 76.220 -4.868 -11.105 1.00 1.00 C ATOM 205 CD GLU X 13 75.111 -4.810 -12.149 1.00 1.00 C ATOM 206 OE1 GLU X 13 75.390 -4.385 -13.258 1.00 1.00 O ATOM 207 OE2 GLU X 13 74.001 -5.201 -11.827 1.00 1.00 O ATOM 0 H GLU X 13 77.335 -2.895 -9.564 1.00 1.00 H new ATOM 0 HA GLU X 13 78.629 -5.235 -10.138 1.00 1.00 H new ATOM 0 HB2 GLU X 13 77.289 -3.199 -11.965 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.831 -4.762 -12.542 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.417 -5.904 -10.829 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.904 -4.351 -10.199 1.00 1.00 H new ATOM 214 N GLN X 14 80.188 -2.635 -11.428 1.00 1.00 N ATOM 215 CA GLN X 14 81.447 -2.229 -12.038 1.00 1.00 C ATOM 216 C GLN X 14 82.618 -2.578 -11.130 1.00 1.00 C ATOM 217 O GLN X 14 83.613 -3.148 -11.577 1.00 1.00 O ATOM 218 CB GLN X 14 81.438 -0.722 -12.306 1.00 1.00 C ATOM 219 CG GLN X 14 80.394 -0.396 -13.375 1.00 1.00 C ATOM 220 CD GLN X 14 80.321 1.111 -13.591 1.00 1.00 C ATOM 221 OE1 GLN X 14 81.049 1.867 -12.947 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.490 1.595 -14.473 1.00 1.00 N ATOM 0 H GLN X 14 79.560 -1.869 -11.184 1.00 1.00 H new ATOM 0 HA GLN X 14 81.560 -2.764 -12.981 1.00 1.00 H new ATOM 0 HB2 GLN X 14 81.213 -0.181 -11.387 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.424 -0.395 -12.635 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.652 -0.893 -14.310 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.419 -0.776 -13.070 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.888 0.967 -15.005 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.442 2.602 -14.630 1.00 1.00 H new ATOM 231 N LEU X 15 82.492 -2.237 -9.854 1.00 1.00 N ATOM 232 CA LEU X 15 83.552 -2.527 -8.898 1.00 1.00 C ATOM 233 C LEU X 15 83.734 -4.028 -8.756 1.00 1.00 C ATOM 234 O LEU X 15 84.849 -4.520 -8.681 1.00 1.00 O ATOM 235 CB LEU X 15 83.213 -1.931 -7.533 1.00 1.00 C ATOM 236 CG LEU X 15 83.233 -0.399 -7.630 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.646 0.200 -6.355 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.670 0.111 -7.804 1.00 1.00 C ATOM 0 H LEU X 15 81.677 -1.765 -9.461 1.00 1.00 H new ATOM 0 HA LEU X 15 84.476 -2.082 -9.266 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.231 -2.274 -7.207 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.932 -2.269 -6.787 1.00 1.00 H new ATOM 0 HG LEU X 15 82.640 -0.099 -8.494 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.660 1.288 -6.424 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.619 -0.142 -6.232 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.239 -0.117 -5.497 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.664 1.199 -7.871 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.271 -0.197 -6.949 1.00 1.00 H new ATOM 0 HD23 LEU X 15 85.096 -0.306 -8.716 1.00 1.00 H new ATOM 250 N LYS X 16 82.630 -4.753 -8.715 1.00 1.00 N ATOM 251 CA LYS X 16 82.696 -6.190 -8.563 1.00 1.00 C ATOM 252 C LYS X 16 83.576 -6.803 -9.640 1.00 1.00 C ATOM 253 O LYS X 16 84.404 -7.661 -9.352 1.00 1.00 O ATOM 254 CB LYS X 16 81.294 -6.783 -8.669 1.00 1.00 C ATOM 255 CG LYS X 16 81.277 -8.161 -8.014 1.00 1.00 C ATOM 256 CD LYS X 16 80.158 -8.993 -8.636 1.00 1.00 C ATOM 257 CE LYS X 16 80.011 -10.318 -7.883 1.00 1.00 C ATOM 258 NZ LYS X 16 81.284 -11.091 -7.973 1.00 1.00 N ATOM 0 H LYS X 16 81.686 -4.372 -8.784 1.00 1.00 H new ATOM 0 HA LYS X 16 83.123 -6.413 -7.585 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.572 -6.128 -8.182 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.998 -6.862 -9.715 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.238 -8.657 -8.155 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.122 -8.065 -6.939 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.220 -8.439 -8.601 1.00 1.00 H new ATOM 0 HD3 LYS X 16 80.377 -9.184 -9.687 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.762 -10.128 -6.839 1.00 1.00 H new ATOM 0 HE3 LYS X 16 79.191 -10.899 -8.306 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 81.119 -12.069 -7.659 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 81.619 -11.095 -8.958 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 82.003 -10.649 -7.365 1.00 1.00 H new ATOM 272 N GLN X 17 83.393 -6.378 -10.884 1.00 1.00 N ATOM 273 CA GLN X 17 84.186 -6.931 -11.972 1.00 1.00 C ATOM 274 C GLN X 17 85.635 -6.462 -11.909 1.00 1.00 C ATOM 275 O GLN X 17 86.562 -7.263 -12.030 1.00 1.00 O ATOM 276 CB GLN X 17 83.579 -6.528 -13.310 1.00 1.00 C ATOM 277 CG GLN X 17 82.187 -7.137 -13.422 1.00 1.00 C ATOM 278 CD GLN X 17 81.626 -6.883 -14.814 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.309 -6.302 -15.658 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.422 -7.290 -15.112 1.00 1.00 N ATOM 0 H GLN X 17 82.716 -5.667 -11.160 1.00 1.00 H new ATOM 0 HA GLN X 17 84.178 -8.016 -11.870 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.523 -5.442 -13.387 1.00 1.00 H new ATOM 0 HB3 GLN X 17 84.209 -6.874 -14.130 1.00 1.00 H new ATOM 0 HG2 GLN X 17 82.232 -8.209 -13.227 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.528 -6.704 -12.669 1.00 1.00 H new ATOM 0 HE21 GLN X 17 79.858 -7.771 -14.411 1.00 1.00 H new ATOM 0 HE22 GLN X 17 80.045 -7.127 -16.046 1.00 1.00 H new ATOM 289 N ALA X 18 85.820 -5.159 -11.745 1.00 1.00 N ATOM 290 CA ALA X 18 87.164 -4.585 -11.697 1.00 1.00 C ATOM 291 C ALA X 18 87.983 -5.163 -10.542 1.00 1.00 C ATOM 292 O ALA X 18 89.101 -5.638 -10.741 1.00 1.00 O ATOM 293 CB ALA X 18 87.064 -3.066 -11.544 1.00 1.00 C ATOM 0 H ALA X 18 85.065 -4.481 -11.643 1.00 1.00 H new ATOM 0 HA ALA X 18 87.672 -4.837 -12.628 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.065 -2.637 -11.508 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.521 -2.650 -12.393 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.534 -2.827 -10.622 1.00 1.00 H new ATOM 299 N LEU X 19 87.423 -5.120 -9.341 1.00 1.00 N ATOM 300 CA LEU X 19 88.106 -5.643 -8.166 1.00 1.00 C ATOM 301 C LEU X 19 88.299 -7.150 -8.269 1.00 1.00 C ATOM 302 O LEU X 19 89.354 -7.676 -7.916 1.00 1.00 O ATOM 303 CB LEU X 19 87.305 -5.303 -6.908 1.00 1.00 C ATOM 304 CG LEU X 19 87.632 -3.875 -6.459 1.00 1.00 C ATOM 305 CD1 LEU X 19 87.511 -2.898 -7.633 1.00 1.00 C ATOM 306 CD2 LEU X 19 86.651 -3.457 -5.366 1.00 1.00 C ATOM 0 H LEU X 19 86.499 -4.729 -9.155 1.00 1.00 H new ATOM 0 HA LEU X 19 89.090 -5.179 -8.107 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.238 -5.396 -7.108 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.543 -6.008 -6.112 1.00 1.00 H new ATOM 0 HG LEU X 19 88.655 -3.852 -6.083 1.00 1.00 H new ATOM 0 HD11 LEU X 19 87.747 -1.890 -7.293 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.207 -3.188 -8.421 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.493 -2.921 -8.022 1.00 1.00 H new ATOM 0 HD21 LEU X 19 86.878 -2.441 -5.042 1.00 1.00 H new ATOM 0 HD22 LEU X 19 85.634 -3.494 -5.756 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.739 -4.137 -4.518 1.00 1.00 H new ATOM 318 N LYS X 20 87.279 -7.846 -8.754 1.00 1.00 N ATOM 319 CA LYS X 20 87.360 -9.292 -8.888 1.00 1.00 C ATOM 320 C LYS X 20 88.523 -9.683 -9.781 1.00 1.00 C ATOM 321 O LYS X 20 89.143 -10.728 -9.589 1.00 1.00 O ATOM 322 CB LYS X 20 86.041 -9.850 -9.435 1.00 1.00 C ATOM 323 CG LYS X 20 86.175 -11.348 -9.710 1.00 1.00 C ATOM 324 CD LYS X 20 84.807 -11.917 -10.087 1.00 1.00 C ATOM 325 CE LYS X 20 84.935 -13.420 -10.329 1.00 1.00 C ATOM 326 NZ LYS X 20 85.860 -13.659 -11.472 1.00 1.00 N ATOM 0 H LYS X 20 86.395 -7.437 -9.058 1.00 1.00 H new ATOM 0 HA LYS X 20 87.533 -9.723 -7.902 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.239 -9.675 -8.718 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.769 -9.327 -10.352 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.888 -11.519 -10.517 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.563 -11.858 -8.828 1.00 1.00 H new ATOM 0 HD2 LYS X 20 84.088 -11.725 -9.290 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.429 -11.424 -10.983 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.311 -13.913 -9.433 1.00 1.00 H new ATOM 0 HE3 LYS X 20 83.956 -13.850 -10.542 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 85.450 -14.373 -12.107 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 86.002 -12.771 -11.995 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 86.775 -13.999 -11.113 1.00 1.00 H new ATOM 340 N THR X 21 88.820 -8.839 -10.747 1.00 1.00 N ATOM 341 CA THR X 21 89.920 -9.104 -11.652 1.00 1.00 C ATOM 342 C THR X 21 91.259 -8.971 -10.926 1.00 1.00 C ATOM 343 O THR X 21 92.286 -9.452 -11.404 1.00 1.00 O ATOM 344 CB THR X 21 89.854 -8.132 -12.824 1.00 1.00 C ATOM 345 OG1 THR X 21 88.815 -8.532 -13.704 1.00 1.00 O ATOM 346 CG2 THR X 21 91.185 -8.138 -13.562 1.00 1.00 C ATOM 0 H THR X 21 88.319 -7.969 -10.926 1.00 1.00 H new ATOM 0 HA THR X 21 89.838 -10.125 -12.024 1.00 1.00 H new ATOM 0 HB THR X 21 89.652 -7.125 -12.458 1.00 1.00 H new ATOM 0 HG1 THR X 21 87.952 -8.236 -13.347 1.00 1.00 H new ATOM 0 HG21 THR X 21 91.139 -7.443 -14.401 1.00 1.00 H new ATOM 0 HG22 THR X 21 91.980 -7.833 -12.881 1.00 1.00 H new ATOM 0 HG23 THR X 21 91.391 -9.142 -13.933 1.00 1.00 H new ATOM 354 N ARG X 22 91.241 -8.306 -9.772 1.00 1.00 N ATOM 355 CA ARG X 22 92.461 -8.108 -8.995 1.00 1.00 C ATOM 356 C ARG X 22 92.641 -9.194 -7.937 1.00 1.00 C ATOM 357 O ARG X 22 93.657 -9.222 -7.247 1.00 1.00 O ATOM 358 CB ARG X 22 92.425 -6.743 -8.313 1.00 1.00 C ATOM 359 CG ARG X 22 92.499 -5.647 -9.374 1.00 1.00 C ATOM 360 CD ARG X 22 93.961 -5.264 -9.601 1.00 1.00 C ATOM 361 NE ARG X 22 94.494 -4.600 -8.419 1.00 1.00 N ATOM 362 CZ ARG X 22 95.802 -4.449 -8.244 1.00 1.00 C ATOM 363 NH1 ARG X 22 96.635 -4.890 -9.147 1.00 1.00 N ATOM 364 NH2 ARG X 22 96.255 -3.861 -7.172 1.00 1.00 N ATOM 0 H ARG X 22 90.402 -7.899 -9.358 1.00 1.00 H new ATOM 0 HA ARG X 22 93.303 -8.162 -9.685 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.510 -6.639 -7.730 1.00 1.00 H new ATOM 0 HB3 ARG X 22 93.259 -6.649 -7.618 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.053 -5.996 -10.306 1.00 1.00 H new ATOM 0 HG3 ARG X 22 91.928 -4.775 -9.054 1.00 1.00 H new ATOM 0 HD2 ARG X 22 94.548 -6.155 -9.823 1.00 1.00 H new ATOM 0 HD3 ARG X 22 94.042 -4.605 -10.466 1.00 1.00 H new ATOM 0 HE ARG X 22 93.850 -4.244 -7.712 1.00 1.00 H new ATOM 0 HH11 ARG X 22 96.281 -5.350 -9.986 1.00 1.00 H new ATOM 0 HH12 ARG X 22 97.640 -4.775 -9.014 1.00 1.00 H new ATOM 0 HH21 ARG X 22 95.605 -3.516 -6.466 1.00 1.00 H new ATOM 0 HH22 ARG X 22 97.260 -3.746 -7.039 1.00 1.00 H new ATOM 378 N GLY X 23 91.661 -10.087 -7.816 1.00 1.00 N ATOM 379 CA GLY X 23 91.741 -11.165 -6.831 1.00 1.00 C ATOM 380 C GLY X 23 90.740 -10.969 -5.698 1.00 1.00 C ATOM 381 O GLY X 23 90.916 -11.509 -4.605 1.00 1.00 O ATOM 0 H GLY X 23 90.811 -10.087 -8.380 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.553 -12.120 -7.321 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.750 -11.210 -6.421 1.00 1.00 H new ATOM 385 N VAL X 24 89.694 -10.195 -5.958 1.00 1.00 N ATOM 386 CA VAL X 24 88.682 -9.943 -4.940 1.00 1.00 C ATOM 387 C VAL X 24 87.493 -10.890 -5.099 1.00 1.00 C ATOM 388 O VAL X 24 86.916 -11.002 -6.175 1.00 1.00 O ATOM 389 CB VAL X 24 88.202 -8.494 -5.041 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.115 -8.238 -3.998 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.382 -7.549 -4.795 1.00 1.00 C ATOM 0 H VAL X 24 89.525 -9.736 -6.853 1.00 1.00 H new ATOM 0 HA VAL X 24 89.130 -10.117 -3.962 1.00 1.00 H new ATOM 0 HB VAL X 24 87.794 -8.316 -6.036 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.775 -7.205 -4.073 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.275 -8.910 -4.175 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.518 -8.416 -3.001 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.042 -6.516 -4.867 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.791 -7.728 -3.801 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.154 -7.729 -5.543 1.00 1.00 H new ATOM 401 N LYS X 25 87.124 -11.566 -4.013 1.00 1.00 N ATOM 402 CA LYS X 25 85.994 -12.494 -4.051 1.00 1.00 C ATOM 403 C LYS X 25 84.869 -11.995 -3.148 1.00 1.00 C ATOM 404 O LYS X 25 84.662 -12.515 -2.051 1.00 1.00 O ATOM 405 CB LYS X 25 86.440 -13.885 -3.595 1.00 1.00 C ATOM 406 CG LYS X 25 85.297 -14.879 -3.790 1.00 1.00 C ATOM 407 CD LYS X 25 85.765 -16.273 -3.375 1.00 1.00 C ATOM 408 CE LYS X 25 84.630 -17.274 -3.585 1.00 1.00 C ATOM 409 NZ LYS X 25 85.097 -18.637 -3.212 1.00 1.00 N ATOM 0 H LYS X 25 87.584 -11.491 -3.106 1.00 1.00 H new ATOM 0 HA LYS X 25 85.628 -12.553 -5.076 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.313 -14.203 -4.165 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.736 -13.857 -2.546 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.434 -14.580 -3.195 1.00 1.00 H new ATOM 0 HG3 LYS X 25 84.979 -14.885 -4.832 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.636 -16.566 -3.962 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.072 -16.269 -2.329 1.00 1.00 H new ATOM 0 HE2 LYS X 25 83.768 -16.995 -2.980 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.307 -17.261 -4.626 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 84.325 -19.319 -3.354 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 85.907 -18.901 -3.808 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.385 -18.644 -2.213 1.00 1.00 H new ATOM 423 N VAL X 26 84.150 -10.979 -3.621 1.00 1.00 N ATOM 424 CA VAL X 26 83.048 -10.403 -2.857 1.00 1.00 C ATOM 425 C VAL X 26 81.772 -10.370 -3.688 1.00 1.00 C ATOM 426 O VAL X 26 81.789 -9.982 -4.857 1.00 1.00 O ATOM 427 CB VAL X 26 83.404 -8.985 -2.417 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.151 -8.292 -1.883 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.460 -9.049 -1.316 1.00 1.00 C ATOM 0 H VAL X 26 84.311 -10.539 -4.527 1.00 1.00 H new ATOM 0 HA VAL X 26 82.879 -11.027 -1.980 1.00 1.00 H new ATOM 0 HB VAL X 26 83.796 -8.424 -3.265 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.402 -7.279 -1.568 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.395 -8.251 -2.668 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.761 -8.851 -1.032 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.717 -8.038 -0.999 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.066 -9.607 -0.466 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.352 -9.548 -1.696 1.00 1.00 H new ATOM 439 N LYS X 27 80.667 -10.779 -3.078 1.00 1.00 N ATOM 440 CA LYS X 27 79.385 -10.794 -3.765 1.00 1.00 C ATOM 441 C LYS X 27 78.920 -9.369 -4.056 1.00 1.00 C ATOM 442 O LYS X 27 79.249 -8.437 -3.323 1.00 1.00 O ATOM 443 CB LYS X 27 78.343 -11.504 -2.898 1.00 1.00 C ATOM 444 CG LYS X 27 78.962 -12.760 -2.276 1.00 1.00 C ATOM 445 CD LYS X 27 79.610 -13.611 -3.368 1.00 1.00 C ATOM 446 CE LYS X 27 79.924 -15.003 -2.817 1.00 1.00 C ATOM 447 NZ LYS X 27 80.500 -15.846 -3.902 1.00 1.00 N ATOM 0 H LYS X 27 80.634 -11.104 -2.112 1.00 1.00 H new ATOM 0 HA LYS X 27 79.501 -11.327 -4.709 1.00 1.00 H new ATOM 0 HB2 LYS X 27 77.990 -10.834 -2.114 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.476 -11.774 -3.501 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.706 -12.479 -1.531 1.00 1.00 H new ATOM 0 HG3 LYS X 27 78.195 -13.337 -1.759 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.942 -13.691 -4.225 1.00 1.00 H new ATOM 0 HD3 LYS X 27 80.524 -13.134 -3.720 1.00 1.00 H new ATOM 0 HE2 LYS X 27 80.627 -14.928 -1.988 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.017 -15.464 -2.425 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 80.714 -16.793 -3.529 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 79.814 -15.927 -4.680 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 81.374 -15.407 -4.255 1.00 1.00 H new ATOM 461 N TYR X 28 78.154 -9.210 -5.128 1.00 1.00 N ATOM 462 CA TYR X 28 77.646 -7.896 -5.507 1.00 1.00 C ATOM 463 C TYR X 28 76.783 -7.307 -4.402 1.00 1.00 C ATOM 464 O TYR X 28 76.949 -6.150 -4.016 1.00 1.00 O ATOM 465 CB TYR X 28 76.817 -8.021 -6.784 1.00 1.00 C ATOM 466 CG TYR X 28 75.423 -7.498 -6.540 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.132 -6.139 -6.708 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.415 -8.385 -6.144 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.835 -5.666 -6.479 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.117 -7.913 -5.916 1.00 1.00 C ATOM 471 CZ TYR X 28 72.827 -6.553 -6.083 1.00 1.00 C ATOM 472 OH TYR X 28 71.548 -6.088 -5.859 1.00 1.00 O ATOM 0 H TYR X 28 77.872 -9.969 -5.748 1.00 1.00 H new ATOM 0 HA TYR X 28 78.495 -7.233 -5.675 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.289 -7.462 -7.592 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.774 -9.063 -7.101 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.909 -5.455 -7.015 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.639 -9.434 -6.014 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.612 -4.617 -6.608 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.339 -8.598 -5.611 1.00 1.00 H new ATOM 0 HH TYR X 28 70.971 -6.834 -5.592 1.00 1.00 H new ATOM 482 N ALA X 29 75.862 -8.108 -3.900 1.00 1.00 N ATOM 483 CA ALA X 29 74.971 -7.658 -2.843 1.00 1.00 C ATOM 484 C ALA X 29 75.763 -7.187 -1.630 1.00 1.00 C ATOM 485 O ALA X 29 75.456 -6.154 -1.046 1.00 1.00 O ATOM 486 CB ALA X 29 74.040 -8.798 -2.427 1.00 1.00 C ATOM 0 H ALA X 29 75.710 -9.070 -4.204 1.00 1.00 H new ATOM 0 HA ALA X 29 74.384 -6.823 -3.225 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.375 -8.454 -1.635 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.448 -9.116 -3.285 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.633 -9.638 -2.064 1.00 1.00 H new ATOM 492 N ASP X 30 76.785 -7.942 -1.250 1.00 1.00 N ATOM 493 CA ASP X 30 77.586 -7.578 -0.090 1.00 1.00 C ATOM 494 C ASP X 30 78.026 -6.120 -0.174 1.00 1.00 C ATOM 495 O ASP X 30 77.850 -5.355 0.773 1.00 1.00 O ATOM 496 CB ASP X 30 78.817 -8.478 -0.020 1.00 1.00 C ATOM 497 CG ASP X 30 78.408 -9.899 0.350 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.348 -10.059 0.931 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.159 -10.808 0.040 1.00 1.00 O ATOM 0 H ASP X 30 77.076 -8.799 -1.721 1.00 1.00 H new ATOM 0 HA ASP X 30 76.980 -7.707 0.807 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.332 -8.478 -0.981 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.519 -8.090 0.718 1.00 1.00 H new ATOM 504 N LEU X 31 78.588 -5.741 -1.312 1.00 1.00 N ATOM 505 CA LEU X 31 79.035 -4.368 -1.511 1.00 1.00 C ATOM 506 C LEU X 31 77.855 -3.406 -1.493 1.00 1.00 C ATOM 507 O LEU X 31 77.954 -2.303 -0.959 1.00 1.00 O ATOM 508 CB LEU X 31 79.780 -4.234 -2.846 1.00 1.00 C ATOM 509 CG LEU X 31 81.235 -4.703 -2.694 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.907 -4.758 -4.068 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.016 -3.734 -1.794 1.00 1.00 C ATOM 0 H LEU X 31 78.745 -6.359 -2.108 1.00 1.00 H new ATOM 0 HA LEU X 31 79.710 -4.116 -0.694 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.278 -4.826 -3.611 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.758 -3.197 -3.180 1.00 1.00 H new ATOM 0 HG LEU X 31 81.234 -5.695 -2.242 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.939 -5.091 -3.955 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.368 -5.456 -4.709 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.893 -3.766 -4.520 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.045 -4.079 -1.695 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.008 -2.738 -2.238 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.550 -3.696 -0.809 1.00 1.00 H new ATOM 523 N LEU X 32 76.743 -3.818 -2.094 1.00 1.00 N ATOM 524 CA LEU X 32 75.568 -2.962 -2.143 1.00 1.00 C ATOM 525 C LEU X 32 75.089 -2.642 -0.732 1.00 1.00 C ATOM 526 O LEU X 32 74.902 -1.476 -0.380 1.00 1.00 O ATOM 527 CB LEU X 32 74.464 -3.672 -2.939 1.00 1.00 C ATOM 528 CG LEU X 32 73.202 -2.800 -2.989 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.508 -1.493 -3.725 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.094 -3.553 -3.727 1.00 1.00 C ATOM 0 H LEU X 32 76.633 -4.725 -2.547 1.00 1.00 H new ATOM 0 HA LEU X 32 75.820 -2.023 -2.635 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.812 -3.880 -3.951 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.233 -4.632 -2.478 1.00 1.00 H new ATOM 0 HG LEU X 32 72.877 -2.574 -1.973 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.610 -0.876 -3.759 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.298 -0.956 -3.200 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.834 -1.715 -4.741 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.197 -2.935 -3.764 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.421 -3.779 -4.742 1.00 1.00 H new ATOM 0 HD23 LEU X 32 71.874 -4.482 -3.202 1.00 1.00 H new ATOM 542 N LYS X 33 74.909 -3.674 0.078 1.00 1.00 N ATOM 543 CA LYS X 33 74.470 -3.484 1.447 1.00 1.00 C ATOM 544 C LYS X 33 75.535 -2.748 2.246 1.00 1.00 C ATOM 545 O LYS X 33 75.218 -1.892 3.074 1.00 1.00 O ATOM 546 CB LYS X 33 74.197 -4.833 2.101 1.00 1.00 C ATOM 547 CG LYS X 33 73.228 -5.645 1.238 1.00 1.00 C ATOM 548 CD LYS X 33 71.918 -4.889 1.047 1.00 1.00 C ATOM 549 CE LYS X 33 70.861 -5.858 0.528 1.00 1.00 C ATOM 550 NZ LYS X 33 69.585 -5.123 0.307 1.00 1.00 N ATOM 0 H LYS X 33 75.060 -4.647 -0.190 1.00 1.00 H new ATOM 0 HA LYS X 33 73.555 -2.892 1.435 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.131 -5.381 2.228 1.00 1.00 H new ATOM 0 HB3 LYS X 33 73.776 -4.686 3.096 1.00 1.00 H new ATOM 0 HG2 LYS X 33 73.681 -5.850 0.268 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.033 -6.609 1.709 1.00 1.00 H new ATOM 0 HD2 LYS X 33 71.595 -4.449 1.991 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.055 -4.068 0.343 1.00 1.00 H new ATOM 0 HE2 LYS X 33 71.196 -6.315 -0.403 1.00 1.00 H new ATOM 0 HE3 LYS X 33 70.709 -6.666 1.244 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 68.862 -5.781 -0.047 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 69.264 -4.707 1.204 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 69.736 -4.367 -0.391 1.00 1.00 H new ATOM 564 N PHE X 34 76.802 -3.089 2.016 1.00 1.00 N ATOM 565 CA PHE X 34 77.870 -2.443 2.753 1.00 1.00 C ATOM 566 C PHE X 34 77.886 -0.944 2.473 1.00 1.00 C ATOM 567 O PHE X 34 78.037 -0.132 3.386 1.00 1.00 O ATOM 568 CB PHE X 34 79.233 -3.053 2.402 1.00 1.00 C ATOM 569 CG PHE X 34 80.359 -2.260 3.057 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.173 -1.598 4.276 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.594 -2.189 2.403 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.223 -0.864 4.842 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.644 -1.455 2.969 1.00 1.00 C ATOM 574 CZ PHE X 34 82.458 -0.793 4.188 1.00 1.00 C ATOM 0 H PHE X 34 77.103 -3.792 1.341 1.00 1.00 H new ATOM 0 HA PHE X 34 77.683 -2.604 3.815 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.270 -4.090 2.735 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.367 -3.060 1.320 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.220 -1.653 4.780 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.737 -2.700 1.462 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.080 -0.353 5.783 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.597 -1.400 2.465 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.268 -0.227 4.624 1.00 1.00 H new ATOM 584 N PHE X 35 77.727 -0.584 1.201 1.00 1.00 N ATOM 585 CA PHE X 35 77.722 0.820 0.812 1.00 1.00 C ATOM 586 C PHE X 35 76.588 1.558 1.508 1.00 1.00 C ATOM 587 O PHE X 35 76.715 2.730 1.860 1.00 1.00 O ATOM 588 CB PHE X 35 77.566 0.951 -0.708 1.00 1.00 C ATOM 589 CG PHE X 35 78.824 1.541 -1.300 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.252 2.809 -0.888 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.559 0.832 -2.259 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.413 3.368 -1.435 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.720 1.391 -2.805 1.00 1.00 C ATOM 594 CZ PHE X 35 81.148 2.659 -2.393 1.00 1.00 C ATOM 0 H PHE X 35 77.601 -1.240 0.430 1.00 1.00 H new ATOM 0 HA PHE X 35 78.672 1.263 1.112 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.369 -0.026 -1.149 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.711 1.585 -0.942 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.686 3.356 -0.148 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.230 -0.146 -2.577 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.742 4.347 -1.118 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.286 0.844 -3.544 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.044 3.090 -2.814 1.00 1.00 H new ATOM 604 N ASP X 36 75.481 0.864 1.715 1.00 1.00 N ATOM 605 CA ASP X 36 74.343 1.471 2.380 1.00 1.00 C ATOM 606 C ASP X 36 74.620 1.621 3.877 1.00 1.00 C ATOM 607 O ASP X 36 74.094 2.528 4.523 1.00 1.00 O ATOM 608 CB ASP X 36 73.087 0.623 2.161 1.00 1.00 C ATOM 609 CG ASP X 36 72.426 0.988 0.829 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.963 1.838 0.137 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.402 0.403 0.518 1.00 1.00 O ATOM 0 H ASP X 36 75.348 -0.108 1.436 1.00 1.00 H new ATOM 0 HA ASP X 36 74.179 2.460 1.953 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.349 -0.435 2.167 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.385 0.783 2.979 1.00 1.00 H new ATOM 616 N PHE X 37 75.445 0.729 4.425 1.00 1.00 N ATOM 617 CA PHE X 37 75.770 0.783 5.847 1.00 1.00 C ATOM 618 C PHE X 37 76.491 2.086 6.187 1.00 1.00 C ATOM 619 O PHE X 37 76.066 2.830 7.075 1.00 1.00 O ATOM 620 CB PHE X 37 76.676 -0.389 6.202 1.00 1.00 C ATOM 621 CG PHE X 37 76.900 -0.417 7.689 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.855 0.427 8.270 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.155 -1.290 8.492 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.066 0.398 9.653 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.367 -1.319 9.876 1.00 1.00 C ATOM 626 CZ PHE X 37 77.321 -0.474 10.457 1.00 1.00 C ATOM 0 H PHE X 37 75.895 -0.030 3.912 1.00 1.00 H new ATOM 0 HA PHE X 37 74.842 0.732 6.417 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.223 -1.325 5.874 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.629 -0.296 5.682 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.429 1.100 7.650 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.418 -1.940 8.044 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.803 1.048 10.100 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.795 -1.993 10.496 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.482 -0.495 11.525 1.00 1.00 H new ATOM 636 N VAL X 38 77.573 2.368 5.463 1.00 1.00 N ATOM 637 CA VAL X 38 78.321 3.602 5.696 1.00 1.00 C ATOM 638 C VAL X 38 77.447 4.801 5.359 1.00 1.00 C ATOM 639 O VAL X 38 77.583 5.859 5.956 1.00 1.00 O ATOM 640 CB VAL X 38 79.600 3.645 4.840 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.229 3.599 3.361 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.368 4.948 5.111 1.00 1.00 C ATOM 0 H VAL X 38 77.946 1.772 4.724 1.00 1.00 H new ATOM 0 HA VAL X 38 78.608 3.634 6.747 1.00 1.00 H new ATOM 0 HB VAL X 38 80.223 2.788 5.097 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.136 3.630 2.757 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.684 2.679 3.151 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.601 4.456 3.117 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.272 4.971 4.502 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.738 5.801 4.858 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.640 4.998 6.165 1.00 1.00 H new ATOM 652 N LYS X 39 76.566 4.639 4.381 1.00 1.00 N ATOM 653 CA LYS X 39 75.697 5.738 3.972 1.00 1.00 C ATOM 654 C LYS X 39 74.776 6.153 5.118 1.00 1.00 C ATOM 655 O LYS X 39 74.551 7.341 5.346 1.00 1.00 O ATOM 656 CB LYS X 39 74.859 5.326 2.759 1.00 1.00 C ATOM 657 CG LYS X 39 74.046 6.524 2.264 1.00 1.00 C ATOM 658 CD LYS X 39 73.254 6.118 1.020 1.00 1.00 C ATOM 659 CE LYS X 39 72.450 7.316 0.508 1.00 1.00 C ATOM 660 NZ LYS X 39 71.700 6.920 -0.719 1.00 1.00 N ATOM 0 H LYS X 39 76.434 3.771 3.862 1.00 1.00 H new ATOM 0 HA LYS X 39 76.325 6.587 3.703 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.508 4.961 1.963 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.192 4.507 3.027 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.368 6.866 3.046 1.00 1.00 H new ATOM 0 HG3 LYS X 39 74.709 7.357 2.031 1.00 1.00 H new ATOM 0 HD2 LYS X 39 73.933 5.765 0.244 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.583 5.292 1.257 1.00 1.00 H new ATOM 0 HE2 LYS X 39 71.757 7.659 1.277 1.00 1.00 H new ATOM 0 HE3 LYS X 39 73.118 8.149 0.287 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 71.153 7.732 -1.069 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 72.371 6.613 -1.452 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 71.053 6.138 -0.493 1.00 1.00 H new ATOM 674 N ASP X 40 74.234 5.166 5.824 1.00 1.00 N ATOM 675 CA ASP X 40 73.325 5.437 6.933 1.00 1.00 C ATOM 676 C ASP X 40 74.023 6.204 8.058 1.00 1.00 C ATOM 677 O ASP X 40 73.476 7.167 8.594 1.00 1.00 O ATOM 678 CB ASP X 40 72.787 4.117 7.488 1.00 1.00 C ATOM 679 CG ASP X 40 71.817 3.489 6.494 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.385 4.186 5.591 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.533 2.311 6.641 1.00 1.00 O ATOM 0 H ASP X 40 74.407 4.176 5.650 1.00 1.00 H new ATOM 0 HA ASP X 40 72.509 6.051 6.553 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.612 3.433 7.685 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.284 4.291 8.439 1.00 1.00 H new ATOM 836 N ILE X 51 94.252 7.466 -0.912 1.00 1.00 N ATOM 837 CA ILE X 51 93.165 6.494 -0.985 1.00 1.00 C ATOM 838 C ILE X 51 91.953 6.996 -0.202 1.00 1.00 C ATOM 839 O ILE X 51 91.963 7.024 1.029 1.00 1.00 O ATOM 840 CB ILE X 51 93.631 5.148 -0.403 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.864 4.631 -1.164 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.502 4.125 -0.532 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.611 3.611 -0.301 1.00 1.00 C ATOM 0 HA ILE X 51 92.883 6.361 -2.029 1.00 1.00 H new ATOM 0 HB ILE X 51 93.894 5.291 0.645 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.557 4.172 -2.104 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.523 5.462 -1.415 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.828 3.170 -0.121 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.628 4.477 0.016 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.244 3.998 -1.583 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.484 3.246 -0.842 1.00 1.00 H new ATOM 0 HD12 ILE X 51 95.931 4.085 0.627 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.950 2.775 -0.072 1.00 1.00 H new ATOM 855 N ASP X 52 90.912 7.391 -0.931 1.00 1.00 N ATOM 856 CA ASP X 52 89.692 7.891 -0.307 1.00 1.00 C ATOM 857 C ASP X 52 88.914 6.758 0.345 1.00 1.00 C ATOM 858 O ASP X 52 88.346 6.919 1.426 1.00 1.00 O ATOM 859 CB ASP X 52 88.819 8.588 -1.353 1.00 1.00 C ATOM 860 CG ASP X 52 87.470 8.958 -0.745 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.378 8.986 0.470 1.00 1.00 O ATOM 862 OD2 ASP X 52 86.547 9.196 -1.505 1.00 1.00 O ATOM 0 H ASP X 52 90.890 7.374 -1.951 1.00 1.00 H new ATOM 0 HA ASP X 52 89.970 8.607 0.466 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.320 9.484 -1.718 1.00 1.00 H new ATOM 0 HB3 ASP X 52 88.673 7.932 -2.211 1.00 1.00 H new ATOM 867 N ILE X 53 88.890 5.614 -0.321 1.00 1.00 N ATOM 868 CA ILE X 53 88.177 4.460 0.198 1.00 1.00 C ATOM 869 C ILE X 53 88.714 4.056 1.565 1.00 1.00 C ATOM 870 O ILE X 53 88.046 3.348 2.320 1.00 1.00 O ATOM 871 CB ILE X 53 88.300 3.290 -0.765 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.522 3.621 -2.037 1.00 1.00 C ATOM 873 CG2 ILE X 53 87.717 2.046 -0.105 1.00 1.00 C ATOM 874 CD1 ILE X 53 87.773 2.549 -3.096 1.00 1.00 C ATOM 0 H ILE X 53 89.353 5.461 -1.217 1.00 1.00 H new ATOM 0 HA ILE X 53 87.127 4.733 0.304 1.00 1.00 H new ATOM 0 HB ILE X 53 89.345 3.107 -1.016 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.456 3.683 -1.816 1.00 1.00 H new ATOM 0 HG13 ILE X 53 87.826 4.597 -2.416 1.00 1.00 H new ATOM 0 HG21 ILE X 53 87.800 1.200 -0.787 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.266 1.829 0.811 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.667 2.219 0.133 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.215 2.793 -4.000 1.00 1.00 H new ATOM 0 HD12 ILE X 53 88.837 2.508 -3.327 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.446 1.580 -2.718 1.00 1.00 H new ATOM 886 N LYS X 54 89.922 4.505 1.877 1.00 1.00 N ATOM 887 CA LYS X 54 90.537 4.181 3.155 1.00 1.00 C ATOM 888 C LYS X 54 89.629 4.622 4.294 1.00 1.00 C ATOM 889 O LYS X 54 89.405 3.875 5.246 1.00 1.00 O ATOM 890 CB LYS X 54 91.894 4.881 3.269 1.00 1.00 C ATOM 891 CG LYS X 54 92.588 4.452 4.560 1.00 1.00 C ATOM 892 CD LYS X 54 93.978 5.087 4.623 1.00 1.00 C ATOM 893 CE LYS X 54 94.681 4.645 5.906 1.00 1.00 C ATOM 894 NZ LYS X 54 96.051 5.230 5.951 1.00 1.00 N ATOM 0 H LYS X 54 90.492 5.091 1.267 1.00 1.00 H new ATOM 0 HA LYS X 54 90.685 3.103 3.217 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.516 4.631 2.410 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.758 5.962 3.260 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.997 4.758 5.423 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.670 3.366 4.599 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.565 4.791 3.753 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.895 6.174 4.597 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.108 4.967 6.776 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.737 3.557 5.946 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.529 4.929 6.824 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.596 4.902 5.128 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.986 6.268 5.932 1.00 1.00 H new ATOM 908 N ARG X 55 89.093 5.829 4.182 1.00 1.00 N ATOM 909 CA ARG X 55 88.194 6.341 5.204 1.00 1.00 C ATOM 910 C ARG X 55 86.909 5.520 5.264 1.00 1.00 C ATOM 911 O ARG X 55 86.380 5.275 6.348 1.00 1.00 O ATOM 912 CB ARG X 55 87.861 7.810 4.937 1.00 1.00 C ATOM 913 CG ARG X 55 89.049 8.682 5.348 1.00 1.00 C ATOM 914 CD ARG X 55 88.751 10.147 5.024 1.00 1.00 C ATOM 915 NE ARG X 55 88.747 10.345 3.582 1.00 1.00 N ATOM 916 CZ ARG X 55 89.884 10.516 2.917 1.00 1.00 C ATOM 917 NH1 ARG X 55 91.022 10.512 3.557 1.00 1.00 N ATOM 918 NH2 ARG X 55 89.864 10.689 1.624 1.00 1.00 N ATOM 0 H ARG X 55 89.263 6.465 3.403 1.00 1.00 H new ATOM 0 HA ARG X 55 88.701 6.260 6.166 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.636 7.957 3.881 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.972 8.100 5.496 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.244 8.568 6.414 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.948 8.359 4.823 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.785 10.432 5.441 1.00 1.00 H new ATOM 0 HD3 ARG X 55 89.500 10.790 5.486 1.00 1.00 H new ATOM 0 HE ARG X 55 87.861 10.353 3.076 1.00 1.00 H new ATOM 0 HH11 ARG X 55 91.038 10.378 4.568 1.00 1.00 H new ATOM 0 HH12 ARG X 55 91.895 10.643 3.046 1.00 1.00 H new ATOM 0 HH21 ARG X 55 88.975 10.693 1.124 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.737 10.820 1.113 1.00 1.00 H new ATOM 932 N TRP X 56 86.405 5.094 4.104 1.00 1.00 N ATOM 933 CA TRP X 56 85.183 4.311 4.084 1.00 1.00 C ATOM 934 C TRP X 56 85.416 2.962 4.770 1.00 1.00 C ATOM 935 O TRP X 56 84.595 2.493 5.559 1.00 1.00 O ATOM 936 CB TRP X 56 84.721 4.120 2.630 1.00 1.00 C ATOM 937 CG TRP X 56 83.597 3.134 2.562 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.738 2.864 3.572 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.199 2.281 1.449 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.840 1.900 3.152 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.083 1.508 1.850 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.695 2.103 0.145 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.480 0.592 0.987 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.090 1.182 -0.726 1.00 1.00 C ATOM 945 CH2 TRP X 56 81.985 0.428 -0.306 1.00 1.00 C ATOM 0 H TRP X 56 86.818 5.276 3.189 1.00 1.00 H new ATOM 0 HA TRP X 56 84.400 4.837 4.630 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.400 5.076 2.216 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.555 3.772 2.020 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.752 3.326 4.548 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.090 1.524 3.732 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.546 2.678 -0.189 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.629 0.014 1.316 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.478 1.054 -1.726 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.525 -0.279 -0.981 1.00 1.00 H new ATOM 956 N ARG X 57 86.553 2.352 4.475 1.00 1.00 N ATOM 957 CA ARG X 57 86.895 1.066 5.070 1.00 1.00 C ATOM 958 C ARG X 57 87.109 1.201 6.572 1.00 1.00 C ATOM 959 O ARG X 57 86.781 0.294 7.329 1.00 1.00 O ATOM 960 CB ARG X 57 88.147 0.497 4.402 1.00 1.00 C ATOM 961 CG ARG X 57 87.740 -0.466 3.274 1.00 1.00 C ATOM 962 CD ARG X 57 86.680 0.184 2.375 1.00 1.00 C ATOM 963 NE ARG X 57 86.880 -0.209 0.981 1.00 1.00 N ATOM 964 CZ ARG X 57 85.868 -0.481 0.164 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.641 -0.423 0.603 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.101 -0.807 -1.078 1.00 1.00 N ATOM 0 H ARG X 57 87.252 2.722 3.831 1.00 1.00 H new ATOM 0 HA ARG X 57 86.064 0.379 4.908 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.756 1.306 4.000 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.758 -0.027 5.138 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.615 -0.733 2.681 1.00 1.00 H new ATOM 0 HG3 ARG X 57 87.349 -1.390 3.699 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.684 -0.113 2.704 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.734 1.269 2.465 1.00 1.00 H new ATOM 0 HE ARG X 57 87.832 -0.277 0.622 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.458 -0.169 1.574 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.864 -0.632 -0.024 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.060 -0.853 -1.422 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.324 -1.016 -1.705 1.00 1.00 H new ATOM 980 N ARG X 58 87.650 2.333 7.002 1.00 1.00 N ATOM 981 CA ARG X 58 87.880 2.551 8.427 1.00 1.00 C ATOM 982 C ARG X 58 86.570 2.482 9.207 1.00 1.00 C ATOM 983 O ARG X 58 86.508 1.871 10.273 1.00 1.00 O ATOM 984 CB ARG X 58 88.533 3.913 8.650 1.00 1.00 C ATOM 985 CG ARG X 58 90.040 3.804 8.423 1.00 1.00 C ATOM 986 CD ARG X 58 90.676 5.182 8.596 1.00 1.00 C ATOM 987 NE ARG X 58 92.125 5.090 8.467 1.00 1.00 N ATOM 988 CZ ARG X 58 92.888 4.793 9.515 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.343 4.588 10.682 1.00 1.00 N ATOM 990 NH2 ARG X 58 94.184 4.710 9.375 1.00 1.00 N ATOM 0 H ARG X 58 87.934 3.104 6.398 1.00 1.00 H new ATOM 0 HA ARG X 58 88.543 1.764 8.787 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.105 4.648 7.969 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.332 4.262 9.663 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.476 3.098 9.130 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.242 3.420 7.423 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.280 5.869 7.848 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.416 5.590 9.573 1.00 1.00 H new ATOM 0 HE ARG X 58 92.560 5.256 7.560 1.00 1.00 H new ATOM 0 HH11 ARG X 58 91.331 4.655 10.791 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.929 4.360 11.485 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.610 4.873 8.463 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.770 4.482 10.178 1.00 1.00 H new ATOM 1004 N VAL X 59 85.526 3.102 8.670 1.00 1.00 N ATOM 1005 CA VAL X 59 84.224 3.088 9.332 1.00 1.00 C ATOM 1006 C VAL X 59 83.716 1.660 9.445 1.00 1.00 C ATOM 1007 O VAL X 59 83.239 1.244 10.500 1.00 1.00 O ATOM 1008 CB VAL X 59 83.224 3.935 8.533 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.849 3.894 9.198 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.714 5.383 8.477 1.00 1.00 C ATOM 0 H VAL X 59 85.552 3.615 7.789 1.00 1.00 H new ATOM 0 HA VAL X 59 84.329 3.508 10.332 1.00 1.00 H new ATOM 0 HB VAL X 59 83.145 3.531 7.524 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.148 4.498 8.622 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.494 2.864 9.236 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.923 4.290 10.211 1.00 1.00 H new ATOM 0 HG21 VAL X 59 83.005 5.986 7.910 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.798 5.778 9.489 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.689 5.419 7.992 1.00 1.00 H new ATOM 1020 N GLY X 60 83.826 0.904 8.360 1.00 1.00 N ATOM 1021 CA GLY X 60 83.372 -0.476 8.378 1.00 1.00 C ATOM 1022 C GLY X 60 84.245 -1.312 9.305 1.00 1.00 C ATOM 1023 O GLY X 60 83.756 -1.982 10.187 1.00 1.00 O ATOM 0 H GLY X 60 84.219 1.218 7.472 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.334 -0.519 8.709 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.403 -0.888 7.370 1.00 1.00 H new ATOM 1027 N ASP X 61 85.542 -1.251 9.121 1.00 1.00 N ATOM 1028 CA ASP X 61 86.449 -2.017 9.959 1.00 1.00 C ATOM 1029 C ASP X 61 86.070 -1.865 11.425 1.00 1.00 C ATOM 1030 O ASP X 61 86.083 -2.838 12.178 1.00 1.00 O ATOM 1031 CB ASP X 61 87.882 -1.525 9.750 1.00 1.00 C ATOM 1032 CG ASP X 61 88.353 -1.864 8.340 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.670 -2.626 7.674 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.382 -1.347 7.942 1.00 1.00 O ATOM 0 H ASP X 61 85.996 -0.684 8.405 1.00 1.00 H new ATOM 0 HA ASP X 61 86.378 -3.069 9.682 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.932 -0.448 9.909 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.544 -1.986 10.483 1.00 1.00 H new ATOM 1039 N CYS X 62 85.722 -0.652 11.830 1.00 1.00 N ATOM 1040 CA CYS X 62 85.344 -0.422 13.222 1.00 1.00 C ATOM 1041 C CYS X 62 83.930 -0.931 13.513 1.00 1.00 C ATOM 1042 O CYS X 62 83.734 -1.808 14.362 1.00 1.00 O ATOM 1043 CB CYS X 62 85.424 1.068 13.542 1.00 1.00 C ATOM 1044 SG CYS X 62 87.123 1.644 13.309 1.00 1.00 S ATOM 0 H CYS X 62 85.692 0.174 11.232 1.00 1.00 H new ATOM 0 HA CYS X 62 86.041 -0.975 13.851 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.747 1.627 12.895 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.105 1.248 14.569 1.00 1.00 H new ATOM 0 HG CYS X 62 87.331 1.884 12.048 1.00 1.00 H new ATOM 1050 N PHE X 63 82.946 -0.365 12.819 1.00 1.00 N ATOM 1051 CA PHE X 63 81.557 -0.752 13.028 1.00 1.00 C ATOM 1052 C PHE X 63 81.326 -2.228 12.711 1.00 1.00 C ATOM 1053 O PHE X 63 80.679 -2.943 13.475 1.00 1.00 O ATOM 1054 CB PHE X 63 80.642 0.105 12.160 1.00 1.00 C ATOM 1055 CG PHE X 63 80.259 1.351 12.919 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.251 1.294 13.890 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.905 2.563 12.652 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.890 2.451 14.592 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.544 3.719 13.354 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.536 3.663 14.325 1.00 1.00 C ATOM 0 H PHE X 63 83.085 0.358 12.113 1.00 1.00 H new ATOM 0 HA PHE X 63 81.326 -0.593 14.081 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.147 0.372 11.232 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.749 -0.457 11.887 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.753 0.359 14.097 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.683 2.607 11.904 1.00 1.00 H new ATOM 0 HE1 PHE X 63 78.112 2.408 15.340 1.00 1.00 H new ATOM 0 HE2 PHE X 63 81.043 4.654 13.147 1.00 1.00 H new ATOM 0 HZ PHE X 63 79.258 4.555 14.867 1.00 1.00 H new ATOM 1070 N GLN X 64 81.853 -2.668 11.576 1.00 1.00 N ATOM 1071 CA GLN X 64 81.706 -4.052 11.140 1.00 1.00 C ATOM 1072 C GLN X 64 82.304 -5.010 12.167 1.00 1.00 C ATOM 1073 O GLN X 64 81.752 -6.078 12.415 1.00 1.00 O ATOM 1074 CB GLN X 64 82.382 -4.248 9.765 1.00 1.00 C ATOM 1075 CG GLN X 64 83.842 -4.692 9.933 1.00 1.00 C ATOM 1076 CD GLN X 64 84.601 -4.548 8.618 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.102 -3.960 7.659 1.00 1.00 O ATOM 1078 NE2 GLN X 64 85.797 -5.062 8.522 1.00 1.00 N ATOM 0 H GLN X 64 82.390 -2.083 10.936 1.00 1.00 H new ATOM 0 HA GLN X 64 80.643 -4.274 11.047 1.00 1.00 H new ATOM 0 HB2 GLN X 64 81.835 -4.994 9.189 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.343 -3.317 9.200 1.00 1.00 H new ATOM 0 HG2 GLN X 64 84.324 -4.092 10.705 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.876 -5.729 10.267 1.00 1.00 H new ATOM 0 HE21 GLN X 64 86.208 -5.549 9.318 1.00 1.00 H new ATOM 0 HE22 GLN X 64 86.320 -4.977 7.651 1.00 1.00 H new ATOM 1087 N ASP X 65 83.432 -4.630 12.759 1.00 1.00 N ATOM 1088 CA ASP X 65 84.075 -5.484 13.748 1.00 1.00 C ATOM 1089 C ASP X 65 83.124 -5.776 14.901 1.00 1.00 C ATOM 1090 O ASP X 65 82.975 -6.925 15.315 1.00 1.00 O ATOM 1091 CB ASP X 65 85.342 -4.808 14.275 1.00 1.00 C ATOM 1092 CG ASP X 65 85.913 -5.591 15.454 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.479 -6.711 15.669 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.773 -5.051 16.131 1.00 1.00 O ATOM 0 H ASP X 65 83.913 -3.750 12.574 1.00 1.00 H new ATOM 0 HA ASP X 65 84.343 -6.427 13.272 1.00 1.00 H new ATOM 0 HB2 ASP X 65 86.085 -4.743 13.480 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.116 -3.787 14.584 1.00 1.00 H new ATOM 1099 N TYR X 66 82.481 -4.735 15.418 1.00 1.00 N ATOM 1100 CA TYR X 66 81.544 -4.910 16.522 1.00 1.00 C ATOM 1101 C TYR X 66 80.241 -5.552 16.051 1.00 1.00 C ATOM 1102 O TYR X 66 79.734 -6.479 16.680 1.00 1.00 O ATOM 1103 CB TYR X 66 81.254 -3.560 17.171 1.00 1.00 C ATOM 1104 CG TYR X 66 82.478 -3.091 17.920 1.00 1.00 C ATOM 1105 CD1 TYR X 66 82.871 -3.751 19.091 1.00 1.00 C ATOM 1106 CD2 TYR X 66 83.215 -1.996 17.454 1.00 1.00 C ATOM 1107 CE1 TYR X 66 84.000 -3.316 19.795 1.00 1.00 C ATOM 1108 CE2 TYR X 66 84.345 -1.561 18.157 1.00 1.00 C ATOM 1109 CZ TYR X 66 84.738 -2.223 19.328 1.00 1.00 C ATOM 1110 OH TYR X 66 85.853 -1.795 20.020 1.00 1.00 O ATOM 0 H TYR X 66 82.589 -3.773 15.096 1.00 1.00 H new ATOM 0 HA TYR X 66 82.002 -5.577 17.253 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.978 -2.830 16.410 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.408 -3.646 17.853 1.00 1.00 H new ATOM 0 HD1 TYR X 66 82.303 -4.596 19.451 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.912 -1.486 16.551 1.00 1.00 H new ATOM 0 HE1 TYR X 66 84.301 -3.824 20.699 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.913 -0.716 17.797 1.00 1.00 H new ATOM 0 HH TYR X 66 86.249 -1.026 19.559 1.00 1.00 H new ATOM 1120 N TYR X 67 79.704 -5.058 14.942 1.00 1.00 N ATOM 1121 CA TYR X 67 78.457 -5.589 14.400 1.00 1.00 C ATOM 1122 C TYR X 67 78.580 -7.083 14.120 1.00 1.00 C ATOM 1123 O TYR X 67 77.688 -7.860 14.462 1.00 1.00 O ATOM 1124 CB TYR X 67 78.105 -4.838 13.117 1.00 1.00 C ATOM 1125 CG TYR X 67 77.138 -3.720 13.437 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.377 -2.877 14.529 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.007 -3.524 12.636 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.483 -1.839 14.820 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.114 -2.487 12.927 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.351 -1.644 14.019 1.00 1.00 C ATOM 1131 OH TYR X 67 74.471 -0.620 14.305 1.00 1.00 O ATOM 0 H TYR X 67 80.109 -4.294 14.402 1.00 1.00 H new ATOM 0 HA TYR X 67 77.664 -5.449 15.134 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.008 -4.433 12.661 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.661 -5.521 12.393 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.250 -3.027 15.147 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.824 -4.174 11.793 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.667 -1.189 15.662 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.241 -2.337 12.309 1.00 1.00 H new ATOM 0 HH TYR X 67 73.741 -0.624 13.651 1.00 1.00 H new ATOM 1141 N ASN X 68 79.685 -7.484 13.510 1.00 1.00 N ATOM 1142 CA ASN X 68 79.904 -8.888 13.210 1.00 1.00 C ATOM 1143 C ASN X 68 80.008 -9.699 14.498 1.00 1.00 C ATOM 1144 O ASN X 68 79.462 -10.797 14.597 1.00 1.00 O ATOM 1145 CB ASN X 68 81.183 -9.047 12.393 1.00 1.00 C ATOM 1146 CG ASN X 68 80.899 -8.733 10.929 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.739 -9.649 10.122 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.829 -7.491 10.534 1.00 1.00 N ATOM 0 H ASN X 68 80.438 -6.862 13.216 1.00 1.00 H new ATOM 0 HA ASN X 68 79.057 -9.259 12.632 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.955 -8.380 12.775 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.564 -10.064 12.490 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.641 -7.277 9.554 1.00 1.00 H new ATOM 0 HD22 ASN X 68 80.962 -6.734 11.205 1.00 1.00 H new ATOM 1155 N THR X 69 80.715 -9.151 15.484 1.00 1.00 N ATOM 1156 CA THR X 69 80.880 -9.837 16.762 1.00 1.00 C ATOM 1157 C THR X 69 79.534 -10.010 17.457 1.00 1.00 C ATOM 1158 O THR X 69 79.201 -11.100 17.923 1.00 1.00 O ATOM 1159 CB THR X 69 81.822 -9.041 17.666 1.00 1.00 C ATOM 1160 OG1 THR X 69 83.099 -8.945 17.050 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.955 -9.748 19.016 1.00 1.00 C ATOM 0 H THR X 69 81.178 -8.244 15.424 1.00 1.00 H new ATOM 0 HA THR X 69 81.306 -10.822 16.569 1.00 1.00 H new ATOM 0 HB THR X 69 81.418 -8.041 17.821 1.00 1.00 H new ATOM 0 HG1 THR X 69 83.019 -8.454 16.205 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.627 -9.180 19.660 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.975 -9.819 19.487 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.358 -10.749 18.864 1.00 1.00 H new ATOM 1169 N PHE X 70 78.762 -8.931 17.518 1.00 1.00 N ATOM 1170 CA PHE X 70 77.450 -8.979 18.156 1.00 1.00 C ATOM 1171 C PHE X 70 76.530 -9.958 17.432 1.00 1.00 C ATOM 1172 O PHE X 70 75.803 -10.723 18.066 1.00 1.00 O ATOM 1173 CB PHE X 70 76.807 -7.587 18.164 1.00 1.00 C ATOM 1174 CG PHE X 70 77.271 -6.814 19.378 1.00 1.00 C ATOM 1175 CD1 PHE X 70 76.861 -7.213 20.656 1.00 1.00 C ATOM 1176 CD2 PHE X 70 78.110 -5.703 19.227 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.289 -6.501 21.783 1.00 1.00 C ATOM 1178 CE2 PHE X 70 78.538 -4.991 20.354 1.00 1.00 C ATOM 1179 CZ PHE X 70 78.127 -5.390 21.631 1.00 1.00 C ATOM 0 H PHE X 70 79.018 -8.020 17.138 1.00 1.00 H new ATOM 0 HA PHE X 70 77.590 -9.318 19.183 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.074 -7.048 17.255 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.721 -7.678 18.173 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.214 -8.070 20.772 1.00 1.00 H new ATOM 0 HD2 PHE X 70 78.427 -5.395 18.241 1.00 1.00 H new ATOM 0 HE1 PHE X 70 76.973 -6.809 22.769 1.00 1.00 H new ATOM 0 HE2 PHE X 70 79.185 -4.134 20.238 1.00 1.00 H new ATOM 0 HZ PHE X 70 78.457 -4.840 22.500 1.00 1.00 H new ATOM 1189 N GLY X 71 76.555 -9.921 16.103 1.00 1.00 N ATOM 1190 CA GLY X 71 75.707 -10.798 15.310 1.00 1.00 C ATOM 1191 C GLY X 71 75.480 -10.221 13.913 1.00 1.00 C ATOM 1192 O GLY X 71 75.721 -10.897 12.913 1.00 1.00 O ATOM 0 H GLY X 71 77.150 -9.297 15.558 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.169 -11.782 15.231 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.749 -10.935 15.811 1.00 1.00 H new ATOM 1196 N PRO X 72 75.025 -8.993 13.824 1.00 1.00 N ATOM 1197 CA PRO X 72 74.764 -8.334 12.512 1.00 1.00 C ATOM 1198 C PRO X 72 75.914 -8.527 11.525 1.00 1.00 C ATOM 1199 O PRO X 72 76.925 -7.824 11.578 1.00 1.00 O ATOM 1200 CB PRO X 72 74.596 -6.856 12.869 1.00 1.00 C ATOM 1201 CG PRO X 72 74.179 -6.826 14.303 1.00 1.00 C ATOM 1202 CD PRO X 72 74.701 -8.108 14.957 1.00 1.00 C ATOM 0 HA PRO X 72 73.892 -8.758 12.014 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.528 -6.310 12.722 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.846 -6.384 12.234 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.586 -5.947 14.803 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.094 -6.767 14.386 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.580 -7.911 15.571 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.950 -8.556 15.609 1.00 1.00 H new ATOM 1210 N GLU X 73 75.741 -9.486 10.623 1.00 1.00 N ATOM 1211 CA GLU X 73 76.750 -9.782 9.611 1.00 1.00 C ATOM 1212 C GLU X 73 76.501 -8.970 8.341 1.00 1.00 C ATOM 1213 O GLU X 73 77.191 -9.144 7.339 1.00 1.00 O ATOM 1214 CB GLU X 73 76.743 -11.280 9.291 1.00 1.00 C ATOM 1215 CG GLU X 73 75.430 -11.661 8.599 1.00 1.00 C ATOM 1216 CD GLU X 73 75.362 -13.173 8.408 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.405 -13.773 8.211 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.266 -13.707 8.452 1.00 1.00 O ATOM 0 H GLU X 73 74.909 -10.074 10.571 1.00 1.00 H new ATOM 0 HA GLU X 73 77.728 -9.505 10.006 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.588 -11.527 8.648 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.861 -11.857 10.208 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.583 -11.323 9.196 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.359 -11.160 7.633 1.00 1.00 H new ATOM 1225 N LYS X 74 75.500 -8.095 8.388 1.00 1.00 N ATOM 1226 CA LYS X 74 75.153 -7.272 7.235 1.00 1.00 C ATOM 1227 C LYS X 74 76.411 -6.780 6.528 1.00 1.00 C ATOM 1228 O LYS X 74 76.473 -6.774 5.298 1.00 1.00 O ATOM 1229 CB LYS X 74 74.298 -6.079 7.684 1.00 1.00 C ATOM 1230 CG LYS X 74 74.001 -5.171 6.486 1.00 1.00 C ATOM 1231 CD LYS X 74 73.124 -4.003 6.929 1.00 1.00 C ATOM 1232 CE LYS X 74 72.897 -3.076 5.737 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.025 -1.942 6.148 1.00 1.00 N ATOM 0 H LYS X 74 74.917 -7.938 9.210 1.00 1.00 H new ATOM 0 HA LYS X 74 74.580 -7.879 6.534 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.365 -6.433 8.123 1.00 1.00 H new ATOM 0 HB3 LYS X 74 74.821 -5.516 8.457 1.00 1.00 H new ATOM 0 HG2 LYS X 74 74.933 -4.798 6.061 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.498 -5.739 5.703 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.170 -4.370 7.308 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.603 -3.460 7.744 1.00 1.00 H new ATOM 0 HE2 LYS X 74 73.851 -2.700 5.369 1.00 1.00 H new ATOM 0 HE3 LYS X 74 72.434 -3.626 4.918 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 71.871 -1.311 5.336 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.110 -2.310 6.480 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.484 -1.412 6.916 1.00 1.00 H new ATOM 1247 N VAL X 75 77.407 -6.377 7.307 1.00 1.00 N ATOM 1248 CA VAL X 75 78.666 -5.898 6.741 1.00 1.00 C ATOM 1249 C VAL X 75 79.810 -6.812 7.191 1.00 1.00 C ATOM 1250 O VAL X 75 80.462 -6.547 8.199 1.00 1.00 O ATOM 1251 CB VAL X 75 78.935 -4.456 7.192 1.00 1.00 C ATOM 1252 CG1 VAL X 75 80.084 -3.853 6.379 1.00 1.00 C ATOM 1253 CG2 VAL X 75 77.687 -3.610 6.961 1.00 1.00 C ATOM 0 H VAL X 75 77.370 -6.371 8.326 1.00 1.00 H new ATOM 0 HA VAL X 75 78.599 -5.915 5.653 1.00 1.00 H new ATOM 0 HB VAL X 75 79.198 -4.466 8.250 1.00 1.00 H new ATOM 0 HG11 VAL X 75 80.265 -2.830 6.708 1.00 1.00 H new ATOM 0 HG12 VAL X 75 80.986 -4.447 6.528 1.00 1.00 H new ATOM 0 HG13 VAL X 75 79.820 -3.852 5.321 1.00 1.00 H new ATOM 0 HG21 VAL X 75 77.877 -2.586 7.281 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.433 -3.618 5.901 1.00 1.00 H new ATOM 0 HG23 VAL X 75 76.857 -4.021 7.536 1.00 1.00 H new ATOM 1263 N PRO X 76 80.054 -7.886 6.475 1.00 1.00 N ATOM 1264 CA PRO X 76 81.138 -8.858 6.821 1.00 1.00 C ATOM 1265 C PRO X 76 82.507 -8.193 6.936 1.00 1.00 C ATOM 1266 O PRO X 76 82.818 -7.256 6.202 1.00 1.00 O ATOM 1267 CB PRO X 76 81.124 -9.856 5.661 1.00 1.00 C ATOM 1268 CG PRO X 76 79.765 -9.744 5.058 1.00 1.00 C ATOM 1269 CD PRO X 76 79.323 -8.303 5.268 1.00 1.00 C ATOM 0 HA PRO X 76 80.964 -9.319 7.793 1.00 1.00 H new ATOM 0 HB2 PRO X 76 81.898 -9.620 4.931 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.315 -10.870 6.013 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.788 -9.993 3.997 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.070 -10.437 5.533 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.575 -7.678 4.411 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.244 -8.231 5.408 1.00 1.00 H new ATOM 1277 N VAL X 77 83.312 -8.684 7.873 1.00 1.00 N ATOM 1278 CA VAL X 77 84.643 -8.132 8.091 1.00 1.00 C ATOM 1279 C VAL X 77 85.588 -8.523 6.960 1.00 1.00 C ATOM 1280 O VAL X 77 86.590 -7.850 6.718 1.00 1.00 O ATOM 1281 CB VAL X 77 85.210 -8.626 9.423 1.00 1.00 C ATOM 1282 CG1 VAL X 77 84.082 -8.730 10.451 1.00 1.00 C ATOM 1283 CG2 VAL X 77 85.861 -9.997 9.224 1.00 1.00 C ATOM 0 H VAL X 77 83.067 -9.459 8.490 1.00 1.00 H new ATOM 0 HA VAL X 77 84.556 -7.046 8.114 1.00 1.00 H new ATOM 0 HB VAL X 77 85.960 -7.922 9.784 1.00 1.00 H new ATOM 0 HG11 VAL X 77 84.486 -9.082 11.400 1.00 1.00 H new ATOM 0 HG12 VAL X 77 83.626 -7.750 10.592 1.00 1.00 H new ATOM 0 HG13 VAL X 77 83.329 -9.432 10.095 1.00 1.00 H new ATOM 0 HG21 VAL X 77 86.265 -10.349 10.173 1.00 1.00 H new ATOM 0 HG22 VAL X 77 85.115 -10.705 8.862 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.667 -9.915 8.495 1.00 1.00 H new ATOM 1293 N THR X 78 85.268 -9.615 6.278 1.00 1.00 N ATOM 1294 CA THR X 78 86.102 -10.090 5.181 1.00 1.00 C ATOM 1295 C THR X 78 86.471 -8.939 4.245 1.00 1.00 C ATOM 1296 O THR X 78 87.364 -9.068 3.403 1.00 1.00 O ATOM 1297 CB THR X 78 85.359 -11.174 4.398 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.211 -10.607 3.782 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.929 -12.291 5.350 1.00 1.00 C ATOM 0 H THR X 78 84.443 -10.185 6.463 1.00 1.00 H new ATOM 0 HA THR X 78 87.019 -10.506 5.598 1.00 1.00 H new ATOM 0 HB THR X 78 86.018 -11.586 3.633 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.734 -11.299 3.278 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.400 -13.062 4.790 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.810 -12.725 5.823 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.270 -11.882 6.116 1.00 1.00 H new ATOM 1307 N ALA X 79 85.784 -7.814 4.403 1.00 1.00 N ATOM 1308 CA ALA X 79 86.049 -6.645 3.575 1.00 1.00 C ATOM 1309 C ALA X 79 87.487 -6.170 3.765 1.00 1.00 C ATOM 1310 O ALA X 79 88.064 -5.542 2.878 1.00 1.00 O ATOM 1311 CB ALA X 79 85.078 -5.519 3.940 1.00 1.00 C ATOM 0 H ALA X 79 85.043 -7.687 5.093 1.00 1.00 H new ATOM 0 HA ALA X 79 85.908 -6.919 2.530 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.281 -4.647 3.318 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.054 -5.853 3.773 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.207 -5.253 4.989 1.00 1.00 H new ATOM 1317 N PHE X 80 88.057 -6.468 4.928 1.00 1.00 N ATOM 1318 CA PHE X 80 89.426 -6.054 5.218 1.00 1.00 C ATOM 1319 C PHE X 80 90.411 -6.678 4.225 1.00 1.00 C ATOM 1320 O PHE X 80 91.262 -5.991 3.661 1.00 1.00 O ATOM 1321 CB PHE X 80 89.796 -6.469 6.646 1.00 1.00 C ATOM 1322 CG PHE X 80 91.150 -5.901 7.003 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.321 -6.481 6.500 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.228 -4.782 7.843 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.569 -5.942 6.836 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.476 -4.244 8.178 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.647 -4.824 7.675 1.00 1.00 C ATOM 0 H PHE X 80 87.600 -6.988 5.677 1.00 1.00 H new ATOM 0 HA PHE X 80 89.486 -4.970 5.122 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.043 -6.109 7.347 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.813 -7.556 6.727 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.262 -7.344 5.853 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.325 -4.335 8.232 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.472 -6.389 6.448 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.536 -3.381 8.825 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.610 -4.409 7.934 1.00 1.00 H new ATOM 1337 N SER X 81 90.302 -7.984 4.022 1.00 1.00 N ATOM 1338 CA SER X 81 91.197 -8.683 3.097 1.00 1.00 C ATOM 1339 C SER X 81 91.001 -8.192 1.660 1.00 1.00 C ATOM 1340 O SER X 81 91.963 -7.841 0.948 1.00 1.00 O ATOM 1341 CB SER X 81 90.915 -10.184 3.163 1.00 1.00 C ATOM 1342 OG SER X 81 91.400 -10.700 4.395 1.00 1.00 O ATOM 0 H SER X 81 89.611 -8.580 4.478 1.00 1.00 H new ATOM 0 HA SER X 81 92.226 -8.478 3.391 1.00 1.00 H new ATOM 0 HB2 SER X 81 89.844 -10.369 3.075 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.396 -10.693 2.328 1.00 1.00 H new ATOM 0 HG SER X 81 91.219 -11.662 4.441 1.00 1.00 H new ATOM 1348 N TYR X 82 89.744 -8.154 1.240 1.00 1.00 N ATOM 1349 CA TYR X 82 89.427 -7.707 -0.104 1.00 1.00 C ATOM 1350 C TYR X 82 89.895 -6.271 -0.291 1.00 1.00 C ATOM 1351 O TYR X 82 90.291 -5.868 -1.389 1.00 1.00 O ATOM 1352 CB TYR X 82 87.917 -7.819 -0.358 1.00 1.00 C ATOM 1353 CG TYR X 82 87.469 -9.267 -0.227 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.066 -10.258 -1.015 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.458 -9.607 0.680 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.651 -11.590 -0.897 1.00 1.00 C ATOM 1357 CE2 TYR X 82 86.043 -10.940 0.798 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.640 -11.931 0.009 1.00 1.00 C ATOM 1359 OH TYR X 82 86.228 -13.243 0.127 1.00 1.00 O ATOM 0 H TYR X 82 88.938 -8.424 1.804 1.00 1.00 H new ATOM 0 HA TYR X 82 89.943 -8.342 -0.824 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.374 -7.197 0.353 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.680 -7.446 -1.354 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.846 -9.995 -1.714 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.998 -8.842 1.288 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.111 -12.355 -1.505 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.263 -11.203 1.497 1.00 1.00 H new ATOM 0 HH TYR X 82 85.551 -13.436 -0.555 1.00 1.00 H new ATOM 1369 N TRP X 83 89.864 -5.506 0.786 1.00 1.00 N ATOM 1370 CA TRP X 83 90.302 -4.126 0.722 1.00 1.00 C ATOM 1371 C TRP X 83 91.779 -4.055 0.366 1.00 1.00 C ATOM 1372 O TRP X 83 92.211 -3.163 -0.363 1.00 1.00 O ATOM 1373 CB TRP X 83 90.063 -3.423 2.049 1.00 1.00 C ATOM 1374 CG TRP X 83 90.688 -2.071 2.006 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.569 -1.195 0.982 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.499 -1.408 3.020 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.254 -0.037 1.303 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.845 -0.120 2.549 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.962 -1.796 4.290 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.623 0.753 3.309 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.747 -0.920 5.059 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.076 0.352 4.569 1.00 1.00 C ATOM 0 H TRP X 83 89.544 -5.813 1.704 1.00 1.00 H new ATOM 0 HA TRP X 83 89.722 -3.624 -0.052 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.994 -3.337 2.241 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.487 -4.007 2.865 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.028 -1.371 0.064 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.315 0.779 0.694 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.713 -2.773 4.677 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.874 1.732 2.927 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.099 -1.228 6.033 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.679 1.021 5.165 1.00 1.00 H new ATOM 1393 N ASN X 84 92.556 -5.000 0.884 1.00 1.00 N ATOM 1394 CA ASN X 84 93.982 -5.015 0.599 1.00 1.00 C ATOM 1395 C ASN X 84 94.184 -4.990 -0.903 1.00 1.00 C ATOM 1396 O ASN X 84 95.047 -4.271 -1.411 1.00 1.00 O ATOM 1397 CB ASN X 84 94.625 -6.282 1.156 1.00 1.00 C ATOM 1398 CG ASN X 84 96.089 -6.027 1.498 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.721 -5.139 0.927 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.668 -6.761 2.409 1.00 1.00 N ATOM 0 H ASN X 84 92.229 -5.751 1.492 1.00 1.00 H new ATOM 0 HA ASN X 84 94.444 -4.144 1.065 1.00 1.00 H new ATOM 0 HB2 ASN X 84 94.088 -6.609 2.047 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.550 -7.087 0.425 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.646 -6.599 2.649 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.142 -7.497 2.881 1.00 1.00 H new ATOM 1407 N LEU X 85 93.377 -5.766 -1.621 1.00 1.00 N ATOM 1408 CA LEU X 85 93.501 -5.787 -3.074 1.00 1.00 C ATOM 1409 C LEU X 85 93.206 -4.404 -3.655 1.00 1.00 C ATOM 1410 O LEU X 85 93.890 -3.952 -4.574 1.00 1.00 O ATOM 1411 CB LEU X 85 92.557 -6.823 -3.692 1.00 1.00 C ATOM 1412 CG LEU X 85 93.200 -8.217 -3.658 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.425 -8.279 -4.582 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.638 -8.534 -2.232 1.00 1.00 C ATOM 0 H LEU X 85 92.652 -6.371 -1.236 1.00 1.00 H new ATOM 0 HA LEU X 85 94.526 -6.065 -3.318 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.614 -6.837 -3.146 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.326 -6.547 -4.721 1.00 1.00 H new ATOM 0 HG LEU X 85 92.465 -8.945 -4.001 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.862 -9.277 -4.540 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.120 -8.059 -5.605 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.163 -7.545 -4.258 1.00 1.00 H new ATOM 0 HD21 LEU X 85 94.095 -9.523 -2.203 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.362 -7.790 -1.900 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.770 -8.516 -1.572 1.00 1.00 H new ATOM 1426 N ILE X 86 92.195 -3.729 -3.113 1.00 1.00 N ATOM 1427 CA ILE X 86 91.834 -2.397 -3.590 1.00 1.00 C ATOM 1428 C ILE X 86 92.962 -1.398 -3.352 1.00 1.00 C ATOM 1429 O ILE X 86 93.256 -0.567 -4.212 1.00 1.00 O ATOM 1430 CB ILE X 86 90.594 -1.932 -2.863 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.403 -2.783 -3.286 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.311 -0.470 -3.203 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.245 -2.548 -2.321 1.00 1.00 C ATOM 0 H ILE X 86 91.616 -4.079 -2.350 1.00 1.00 H new ATOM 0 HA ILE X 86 91.649 -2.453 -4.663 1.00 1.00 H new ATOM 0 HB ILE X 86 90.754 -2.031 -1.789 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.102 -2.528 -4.302 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.679 -3.838 -3.291 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.416 -0.141 -2.676 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.158 0.145 -2.899 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.157 -0.370 -4.277 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.392 -3.156 -2.622 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.550 -2.825 -1.312 1.00 1.00 H new ATOM 0 HD13 ILE X 86 87.964 -1.495 -2.339 1.00 1.00 H new ATOM 1445 N LYS X 87 93.580 -1.468 -2.177 1.00 1.00 N ATOM 1446 CA LYS X 87 94.660 -0.549 -1.843 1.00 1.00 C ATOM 1447 C LYS X 87 95.718 -0.574 -2.928 1.00 1.00 C ATOM 1448 O LYS X 87 96.181 0.469 -3.388 1.00 1.00 O ATOM 1449 CB LYS X 87 95.302 -0.962 -0.521 1.00 1.00 C ATOM 1450 CG LYS X 87 94.314 -0.714 0.613 1.00 1.00 C ATOM 1451 CD LYS X 87 94.919 -1.176 1.946 1.00 1.00 C ATOM 1452 CE LYS X 87 95.883 -0.115 2.490 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.307 -0.495 3.869 1.00 1.00 N ATOM 0 H LYS X 87 93.354 -2.144 -1.448 1.00 1.00 H new ATOM 0 HA LYS X 87 94.247 0.456 -1.756 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.582 -2.015 -0.552 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.217 -0.394 -0.354 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.066 0.346 0.665 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.385 -1.250 0.421 1.00 1.00 H new ATOM 0 HD2 LYS X 87 94.125 -1.360 2.669 1.00 1.00 H new ATOM 0 HD3 LYS X 87 95.447 -2.119 1.806 1.00 1.00 H new ATOM 0 HE2 LYS X 87 96.754 -0.031 1.840 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.398 0.861 2.502 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 97.107 0.101 4.163 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.513 -0.358 4.526 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.597 -1.494 3.880 1.00 1.00 H new ATOM 1467 N GLU X 88 96.083 -1.772 -3.338 1.00 1.00 N ATOM 1468 CA GLU X 88 97.081 -1.928 -4.383 1.00 1.00 C ATOM 1469 C GLU X 88 96.545 -1.413 -5.716 1.00 1.00 C ATOM 1470 O GLU X 88 97.299 -0.876 -6.529 1.00 1.00 O ATOM 1471 CB GLU X 88 97.491 -3.397 -4.518 1.00 1.00 C ATOM 1472 CG GLU X 88 98.354 -3.800 -3.322 1.00 1.00 C ATOM 1473 CD GLU X 88 98.702 -5.283 -3.406 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.324 -5.905 -4.385 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.332 -5.777 -2.486 1.00 1.00 O ATOM 0 H GLU X 88 95.709 -2.646 -2.969 1.00 1.00 H new ATOM 0 HA GLU X 88 97.958 -1.342 -4.107 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.605 -4.029 -4.569 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.044 -3.547 -5.445 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.267 -3.204 -3.304 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.822 -3.595 -2.393 1.00 1.00 H new ATOM 1482 N LEU X 89 95.242 -1.586 -5.946 1.00 1.00 N ATOM 1483 CA LEU X 89 94.641 -1.136 -7.198 1.00 1.00 C ATOM 1484 C LEU X 89 94.686 0.384 -7.320 1.00 1.00 C ATOM 1485 O LEU X 89 95.104 0.922 -8.344 1.00 1.00 O ATOM 1486 CB LEU X 89 93.184 -1.612 -7.263 1.00 1.00 C ATOM 1487 CG LEU X 89 92.489 -1.060 -8.519 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.273 -1.465 -9.768 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.069 -1.627 -8.608 1.00 1.00 C ATOM 0 H LEU X 89 94.594 -2.027 -5.293 1.00 1.00 H new ATOM 0 HA LEU X 89 95.212 -1.560 -8.024 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.152 -2.701 -7.272 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.649 -1.285 -6.371 1.00 1.00 H new ATOM 0 HG LEU X 89 92.448 0.027 -8.455 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.775 -1.071 -10.654 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.284 -1.061 -9.710 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.320 -2.552 -9.832 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.576 -1.236 -9.498 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.114 -2.714 -8.667 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.504 -1.335 -7.723 1.00 1.00 H new ATOM 1501 N ILE X 90 94.237 1.068 -6.276 1.00 1.00 N ATOM 1502 CA ILE X 90 94.214 2.524 -6.285 1.00 1.00 C ATOM 1503 C ILE X 90 95.630 3.082 -6.231 1.00 1.00 C ATOM 1504 O ILE X 90 95.967 4.025 -6.945 1.00 1.00 O ATOM 1505 CB ILE X 90 93.407 3.034 -5.091 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.031 2.375 -5.096 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.217 4.546 -5.216 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.351 2.606 -3.750 1.00 1.00 C ATOM 0 H ILE X 90 93.886 0.642 -5.418 1.00 1.00 H new ATOM 0 HA ILE X 90 93.745 2.861 -7.209 1.00 1.00 H new ATOM 0 HB ILE X 90 93.937 2.796 -4.169 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.421 2.788 -5.899 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.129 1.306 -5.287 1.00 1.00 H new ATOM 0 HG21 ILE X 90 92.642 4.912 -4.366 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.191 5.035 -5.233 1.00 1.00 H new ATOM 0 HG23 ILE X 90 92.683 4.770 -6.139 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.368 2.135 -3.753 1.00 1.00 H new ATOM 0 HD12 ILE X 90 91.959 2.172 -2.956 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.240 3.677 -3.577 1.00 1.00 H new ATOM 1520 N ASP X 91 96.451 2.490 -5.373 1.00 1.00 N ATOM 1521 CA ASP X 91 97.832 2.933 -5.221 1.00 1.00 C ATOM 1522 C ASP X 91 98.573 2.842 -6.551 1.00 1.00 C ATOM 1523 O ASP X 91 99.211 3.803 -6.984 1.00 1.00 O ATOM 1524 CB ASP X 91 98.545 2.065 -4.181 1.00 1.00 C ATOM 1525 CG ASP X 91 99.996 2.512 -4.039 1.00 1.00 C ATOM 1526 OD1 ASP X 91 100.381 3.431 -4.742 1.00 1.00 O ATOM 1527 OD2 ASP X 91 100.699 1.931 -3.229 1.00 1.00 O ATOM 0 H ASP X 91 96.188 1.707 -4.775 1.00 1.00 H new ATOM 0 HA ASP X 91 97.827 3.971 -4.890 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.036 2.142 -3.220 1.00 1.00 H new ATOM 0 HB3 ASP X 91 98.506 1.018 -4.480 1.00 1.00 H new