USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 70 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.422) USER MOD Set 1.2: 1 76 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.65) USER MOD Set 2.1: 1 38 ASN : amide:sc= -1.09 K(o=-4,f=-2.1) USER MOD Set 2.2: 1 42 GLN : amide:sc= -2.95 K(o=-4,f=-2.1) USER MOD Single : 1 23 ASN : amide:sc= -2.58 K(o=-2.6,f=-1.8) USER MOD Single : 1 27 GLN : amide:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : 1 32 SER OG : rot 180:sc= 0 USER MOD Single : 1 34 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 48 SER OG : rot 180:sc= -0.478 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 78 THR OG1 : rot 79:sc= 1 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00626) USER MOD Single : 1 92 GLN : amide:sc= -0.814 K(o=-0.81,f=-0.1) USER MOD Single : 1 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 99 THR OG1 : rot 180:sc=-0.00226 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN 1 23 -12.905 4.122 11.100 1.00 0.00 N ATOM 14 CA ASN 1 23 -11.778 4.268 12.013 1.00 0.00 C ATOM 15 C ASN 1 23 -10.647 3.317 11.635 1.00 0.00 C ATOM 16 O ASN 1 23 -10.087 2.629 12.489 1.00 0.00 O ATOM 17 CB ASN 1 23 -12.223 4.008 13.454 1.00 0.00 C ATOM 18 CG ASN 1 23 -12.984 5.179 14.044 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -12.394 6.194 14.414 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -14.301 5.043 14.136 1.00 0.00 N ATOM 0 HA ASN 1 23 -11.409 5.291 11.936 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.852 3.118 13.482 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -11.348 3.800 14.070 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -14.866 5.798 14.526 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -14.749 4.184 13.817 1.00 0.00 H new ATOM 27 N VAL 1 24 -10.315 3.286 10.349 1.00 0.00 N ATOM 28 CA VAL 1 24 -9.250 2.422 9.854 1.00 0.00 C ATOM 29 C VAL 1 24 -8.228 3.215 9.051 1.00 0.00 C ATOM 30 O VAL 1 24 -8.551 4.241 8.453 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.809 1.283 8.979 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.748 0.397 9.786 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -10.516 1.846 7.755 1.00 0.00 C ATOM 0 H VAL 1 24 -10.769 3.850 9.630 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.762 1.989 10.727 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.974 0.671 8.638 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -11.132 -0.401 9.150 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -10.206 -0.037 10.626 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.579 0.994 10.161 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.904 1.027 7.150 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -11.341 2.484 8.073 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -9.811 2.431 7.165 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.991 2.734 9.048 1.00 0.00 N ATOM 44 CA ARG 1 25 -5.916 3.399 8.324 1.00 0.00 C ATOM 45 C ARG 1 25 -4.886 2.390 7.825 1.00 0.00 C ATOM 46 O ARG 1 25 -4.352 1.598 8.601 1.00 0.00 O ATOM 47 CB ARG 1 25 -5.237 4.436 9.221 1.00 0.00 C ATOM 48 CG ARG 1 25 -5.095 3.994 10.670 1.00 0.00 C ATOM 49 CD ARG 1 25 -3.979 4.748 11.376 1.00 0.00 C ATOM 50 NE ARG 1 25 -2.761 3.948 11.484 1.00 0.00 N ATOM 51 CZ ARG 1 25 -1.775 4.212 12.338 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -1.858 5.252 13.158 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -0.702 3.433 12.372 1.00 0.00 N ATOM 0 H ARG 1 25 -6.708 1.886 9.539 1.00 0.00 H new ATOM 0 HA ARG 1 25 -6.351 3.902 7.460 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -4.248 4.658 8.820 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -5.810 5.363 9.188 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -6.036 4.158 11.195 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -4.892 2.924 10.707 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -3.762 5.667 10.832 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -4.312 5.038 12.373 1.00 0.00 H new ATOM 0 HE ARG 1 25 -2.661 3.140 10.869 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -2.681 5.854 13.136 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -1.099 5.449 13.810 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -0.633 2.632 11.744 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 0.054 3.635 13.026 1.00 0.00 H new ATOM 67 N LEU 1 26 -4.610 2.427 6.525 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.641 1.518 5.923 1.00 0.00 C ATOM 69 C LEU 1 26 -2.220 1.899 6.329 1.00 0.00 C ATOM 70 O LEU 1 26 -1.863 3.077 6.341 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.774 1.535 4.395 1.00 0.00 C ATOM 72 CG LEU 1 26 -3.773 0.164 3.711 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -2.864 -0.816 4.438 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -5.187 -0.376 3.626 1.00 0.00 C ATOM 0 H LEU 1 26 -5.044 3.076 5.869 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.846 0.510 6.285 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -4.699 2.049 4.135 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.955 2.126 3.984 1.00 0.00 H new ATOM 0 HG LEU 1 26 -3.382 0.287 2.701 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -2.885 -1.779 3.928 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -1.844 -0.431 4.444 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -3.210 -0.941 5.464 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.176 -1.351 3.138 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -5.599 -0.478 4.630 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -5.805 0.311 3.048 1.00 0.00 H new ATOM 86 N GLN 1 27 -1.413 0.897 6.661 1.00 0.00 N ATOM 87 CA GLN 1 27 -0.031 1.133 7.066 1.00 0.00 C ATOM 88 C GLN 1 27 0.930 0.860 5.912 1.00 0.00 C ATOM 89 O GLN 1 27 1.054 -0.274 5.451 1.00 0.00 O ATOM 90 CB GLN 1 27 0.327 0.254 8.267 1.00 0.00 C ATOM 91 CG GLN 1 27 0.949 1.025 9.420 1.00 0.00 C ATOM 92 CD GLN 1 27 2.385 1.427 9.145 1.00 0.00 C ATOM 93 OE1 GLN 1 27 3.092 0.766 8.385 1.00 0.00 O ATOM 94 NE2 GLN 1 27 2.823 2.517 9.765 1.00 0.00 N ATOM 0 H GLN 1 27 -1.691 -0.084 6.658 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.065 2.181 7.351 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 -0.573 -0.248 8.620 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 1.020 -0.523 7.944 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 0.357 1.919 9.616 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 0.913 0.414 10.322 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 2.202 3.034 10.387 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 3.781 2.837 9.619 1.00 0.00 H new ATOM 103 N VAL 1 28 1.610 1.905 5.451 1.00 0.00 N ATOM 104 CA VAL 1 28 2.562 1.770 4.350 1.00 0.00 C ATOM 105 C VAL 1 28 3.932 1.338 4.856 1.00 0.00 C ATOM 106 O VAL 1 28 4.488 1.947 5.770 1.00 0.00 O ATOM 107 CB VAL 1 28 2.725 3.081 3.545 1.00 0.00 C ATOM 108 CG1 VAL 1 28 1.754 3.113 2.375 1.00 0.00 C ATOM 109 CG2 VAL 1 28 2.546 4.304 4.435 1.00 0.00 C ATOM 0 H VAL 1 28 1.521 2.852 5.820 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.150 1.005 3.691 1.00 0.00 H new ATOM 0 HB VAL 1 28 3.740 3.109 3.150 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 1.883 4.042 1.820 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 1.950 2.267 1.716 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 0.732 3.053 2.749 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 2.667 5.209 3.839 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 1.549 4.290 4.876 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 3.294 4.290 5.228 1.00 0.00 H new ATOM 119 N GLU 1 29 4.473 0.285 4.254 1.00 0.00 N ATOM 120 CA GLU 1 29 5.782 -0.224 4.645 1.00 0.00 C ATOM 121 C GLU 1 29 6.566 -0.714 3.431 1.00 0.00 C ATOM 122 O GLU 1 29 6.112 -1.591 2.697 1.00 0.00 O ATOM 123 CB GLU 1 29 5.628 -1.360 5.658 1.00 0.00 C ATOM 124 CG GLU 1 29 5.606 -0.888 7.102 1.00 0.00 C ATOM 125 CD GLU 1 29 5.861 -2.013 8.086 1.00 0.00 C ATOM 126 OE1 GLU 1 29 6.821 -2.782 7.872 1.00 0.00 O ATOM 127 OE2 GLU 1 29 5.100 -2.125 9.071 1.00 0.00 O ATOM 0 H GLU 1 29 4.027 -0.231 3.496 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.337 0.594 5.105 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.706 -1.901 5.447 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.448 -2.066 5.528 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.360 -0.113 7.239 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 4.639 -0.434 7.317 1.00 0.00 H new ATOM 134 N GLY 1 30 7.752 -0.147 3.237 1.00 0.00 N ATOM 135 CA GLY 1 30 8.594 -0.541 2.122 1.00 0.00 C ATOM 136 C GLY 1 30 8.601 0.468 0.993 1.00 0.00 C ATOM 137 O GLY 1 30 8.635 0.099 -0.180 1.00 0.00 O ATOM 0 H GLY 1 30 8.146 0.580 3.834 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.614 -0.684 2.479 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.252 -1.502 1.739 1.00 0.00 H new ATOM 141 N LEU 1 31 8.581 1.744 1.352 1.00 0.00 N ATOM 142 CA LEU 1 31 8.596 2.819 0.372 1.00 0.00 C ATOM 143 C LEU 1 31 9.404 4.003 0.879 1.00 0.00 C ATOM 144 O LEU 1 31 9.573 4.185 2.085 1.00 0.00 O ATOM 145 CB LEU 1 31 7.181 3.267 0.043 1.00 0.00 C ATOM 146 CG LEU 1 31 6.166 2.139 -0.098 1.00 0.00 C ATOM 147 CD1 LEU 1 31 4.762 2.664 0.131 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.288 1.500 -1.470 1.00 0.00 C ATOM 0 H LEU 1 31 8.554 2.060 2.321 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.065 2.436 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 6.840 3.947 0.824 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.203 3.835 -0.887 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.371 1.379 0.656 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.047 1.848 0.027 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 4.690 3.084 1.134 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.539 3.438 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.559 0.695 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.100 2.250 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.293 1.096 -1.595 1.00 0.00 H new ATOM 160 N SER 1 32 9.901 4.803 -0.050 1.00 0.00 N ATOM 161 CA SER 1 32 10.694 5.974 0.297 1.00 0.00 C ATOM 162 C SER 1 32 10.422 7.122 -0.666 1.00 0.00 C ATOM 163 O SER 1 32 10.269 6.914 -1.869 1.00 0.00 O ATOM 164 CB SER 1 32 12.181 5.625 0.283 1.00 0.00 C ATOM 165 OG SER 1 32 12.537 4.856 1.419 1.00 0.00 O ATOM 0 H SER 1 32 9.770 4.664 -1.052 1.00 0.00 H new ATOM 0 HA SER 1 32 10.409 6.292 1.300 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.419 5.070 -0.624 1.00 0.00 H new ATOM 0 HB3 SER 1 32 12.772 6.541 0.260 1.00 0.00 H new ATOM 0 HG SER 1 32 13.493 4.645 1.384 1.00 0.00 H new ATOM 171 N GLY 1 33 10.368 8.334 -0.129 1.00 0.00 N ATOM 172 CA GLY 1 33 10.119 9.500 -0.954 1.00 0.00 C ATOM 173 C GLY 1 33 8.815 9.406 -1.723 1.00 0.00 C ATOM 174 O GLY 1 33 7.809 8.929 -1.198 1.00 0.00 O ATOM 0 H GLY 1 33 10.492 8.530 0.864 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 10.101 10.389 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 10.942 9.625 -1.657 1.00 0.00 H new ATOM 178 N GLN 1 34 8.838 9.869 -2.970 1.00 0.00 N ATOM 179 CA GLN 1 34 7.657 9.852 -3.833 1.00 0.00 C ATOM 180 C GLN 1 34 6.930 8.515 -3.758 1.00 0.00 C ATOM 181 O GLN 1 34 5.706 8.455 -3.868 1.00 0.00 O ATOM 182 CB GLN 1 34 8.057 10.143 -5.280 1.00 0.00 C ATOM 183 CG GLN 1 34 7.026 10.957 -6.045 1.00 0.00 C ATOM 184 CD GLN 1 34 6.851 10.481 -7.474 1.00 0.00 C ATOM 185 OE1 GLN 1 34 6.838 9.280 -7.743 1.00 0.00 O ATOM 186 NE2 GLN 1 34 6.716 11.424 -8.399 1.00 0.00 N ATOM 0 H GLN 1 34 9.669 10.264 -3.410 1.00 0.00 H new ATOM 0 HA GLN 1 34 6.977 10.628 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 9.007 10.678 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 8.221 9.199 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 6.068 10.902 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 7.326 12.005 -6.049 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 6.733 12.408 -8.131 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 6.595 11.164 -9.378 1.00 0.00 H new ATOM 195 N LEU 1 35 7.692 7.446 -3.565 1.00 0.00 N ATOM 196 CA LEU 1 35 7.122 6.111 -3.470 1.00 0.00 C ATOM 197 C LEU 1 35 6.193 6.014 -2.272 1.00 0.00 C ATOM 198 O LEU 1 35 5.008 5.713 -2.413 1.00 0.00 O ATOM 199 CB LEU 1 35 8.237 5.072 -3.360 1.00 0.00 C ATOM 200 CG LEU 1 35 9.432 5.290 -4.300 1.00 0.00 C ATOM 201 CD1 LEU 1 35 10.254 4.023 -4.432 1.00 0.00 C ATOM 202 CD2 LEU 1 35 8.972 5.758 -5.670 1.00 0.00 C ATOM 0 H LEU 1 35 8.707 7.479 -3.471 1.00 0.00 H new ATOM 0 HA LEU 1 35 6.543 5.914 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 8.601 5.061 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.814 4.087 -3.559 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.058 6.068 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 11.094 4.203 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 10.629 3.729 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 9.631 3.226 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 9.839 5.904 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 8.316 5.007 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 8.431 6.699 -5.570 1.00 0.00 H new ATOM 214 N GLU 1 36 6.736 6.287 -1.093 1.00 0.00 N ATOM 215 CA GLU 1 36 5.952 6.249 0.131 1.00 0.00 C ATOM 216 C GLU 1 36 4.799 7.247 0.041 1.00 0.00 C ATOM 217 O GLU 1 36 3.707 7.006 0.560 1.00 0.00 O ATOM 218 CB GLU 1 36 6.861 6.545 1.332 1.00 0.00 C ATOM 219 CG GLU 1 36 6.235 7.423 2.403 1.00 0.00 C ATOM 220 CD GLU 1 36 6.278 8.897 2.050 1.00 0.00 C ATOM 221 OE1 GLU 1 36 7.377 9.401 1.740 1.00 0.00 O ATOM 222 OE2 GLU 1 36 5.212 9.547 2.084 1.00 0.00 O ATOM 0 H GLU 1 36 7.716 6.537 -0.960 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.523 5.256 0.266 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 7.160 5.600 1.785 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 7.770 7.027 0.972 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 5.199 7.120 2.556 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 6.756 7.264 3.347 1.00 0.00 H new ATOM 229 N LYS 1 37 5.053 8.364 -0.633 1.00 0.00 N ATOM 230 CA LYS 1 37 4.044 9.402 -0.809 1.00 0.00 C ATOM 231 C LYS 1 37 2.926 8.923 -1.730 1.00 0.00 C ATOM 232 O LYS 1 37 1.744 9.078 -1.419 1.00 0.00 O ATOM 233 CB LYS 1 37 4.674 10.674 -1.382 1.00 0.00 C ATOM 234 CG LYS 1 37 6.051 10.987 -0.816 1.00 0.00 C ATOM 235 CD LYS 1 37 6.158 12.437 -0.370 1.00 0.00 C ATOM 236 CE LYS 1 37 6.838 13.296 -1.423 1.00 0.00 C ATOM 237 NZ LYS 1 37 7.736 14.315 -0.814 1.00 0.00 N ATOM 0 H LYS 1 37 5.952 8.574 -1.067 1.00 0.00 H new ATOM 0 HA LYS 1 37 3.621 9.625 0.170 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 4.751 10.574 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 4.011 11.517 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 6.255 10.330 0.029 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 6.810 10.781 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 5.162 12.830 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 6.719 12.491 0.563 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 7.414 12.659 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 6.081 13.795 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 8.180 14.880 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 7.182 14.939 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 8.474 13.839 -0.257 1.00 0.00 H new ATOM 251 N ASN 1 38 3.304 8.341 -2.867 1.00 0.00 N ATOM 252 CA ASN 1 38 2.326 7.844 -3.828 1.00 0.00 C ATOM 253 C ASN 1 38 1.405 6.814 -3.180 1.00 0.00 C ATOM 254 O ASN 1 38 0.182 6.967 -3.185 1.00 0.00 O ATOM 255 CB ASN 1 38 3.032 7.229 -5.038 1.00 0.00 C ATOM 256 CG ASN 1 38 2.549 7.817 -6.350 1.00 0.00 C ATOM 257 OD1 ASN 1 38 2.986 8.893 -6.760 1.00 0.00 O ATOM 258 ND2 ASN 1 38 1.642 7.112 -7.016 1.00 0.00 N ATOM 0 H ASN 1 38 4.276 8.203 -3.143 1.00 0.00 H new ATOM 0 HA ASN 1 38 1.721 8.687 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 4.107 7.386 -4.947 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 2.866 6.152 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 1.279 7.457 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 1.308 6.225 -6.639 1.00 0.00 H new ATOM 265 N VAL 1 39 2.001 5.768 -2.618 1.00 0.00 N ATOM 266 CA VAL 1 39 1.233 4.719 -1.962 1.00 0.00 C ATOM 267 C VAL 1 39 0.339 5.306 -0.876 1.00 0.00 C ATOM 268 O VAL 1 39 -0.781 4.840 -0.662 1.00 0.00 O ATOM 269 CB VAL 1 39 2.151 3.644 -1.350 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.329 2.501 -0.775 1.00 0.00 C ATOM 271 CG2 VAL 1 39 3.133 3.131 -2.393 1.00 0.00 C ATOM 0 H VAL 1 39 3.011 5.625 -2.604 1.00 0.00 H new ATOM 0 HA VAL 1 39 0.612 4.248 -2.724 1.00 0.00 H new ATOM 0 HB VAL 1 39 2.718 4.095 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 1.996 1.752 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 0.667 2.884 0.002 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 0.734 2.047 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 3.775 2.372 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 2.583 2.696 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 3.745 3.957 -2.754 1.00 0.00 H new ATOM 281 N ARG 1 40 0.831 6.344 -0.202 1.00 0.00 N ATOM 282 CA ARG 1 40 0.059 7.002 0.847 1.00 0.00 C ATOM 283 C ARG 1 40 -1.253 7.527 0.274 1.00 0.00 C ATOM 284 O ARG 1 40 -2.320 7.348 0.864 1.00 0.00 O ATOM 285 CB ARG 1 40 0.862 8.147 1.467 1.00 0.00 C ATOM 286 CG ARG 1 40 1.622 7.747 2.722 1.00 0.00 C ATOM 287 CD ARG 1 40 1.573 8.840 3.777 1.00 0.00 C ATOM 288 NE ARG 1 40 2.710 9.752 3.674 1.00 0.00 N ATOM 289 CZ ARG 1 40 3.077 10.592 4.640 1.00 0.00 C ATOM 290 NH1 ARG 1 40 2.400 10.638 5.781 1.00 0.00 N ATOM 291 NH2 ARG 1 40 4.123 11.387 4.464 1.00 0.00 N ATOM 0 H ARG 1 40 1.755 6.745 -0.363 1.00 0.00 H new ATOM 0 HA ARG 1 40 -0.160 6.274 1.628 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 1.569 8.525 0.729 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.184 8.966 1.708 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 1.197 6.829 3.128 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 2.660 7.533 2.467 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 0.646 9.403 3.672 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 1.561 8.387 4.768 1.00 0.00 H new ATOM 0 HE ARG 1 40 3.255 9.745 2.812 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 1.595 10.028 5.921 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 2.685 11.283 6.518 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 4.646 11.355 3.589 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 4.405 12.031 5.204 1.00 0.00 H new ATOM 305 N ALA 1 41 -1.173 8.156 -0.895 1.00 0.00 N ATOM 306 CA ALA 1 41 -2.361 8.676 -1.554 1.00 0.00 C ATOM 307 C ALA 1 41 -3.328 7.534 -1.831 1.00 0.00 C ATOM 308 O ALA 1 41 -4.536 7.649 -1.608 1.00 0.00 O ATOM 309 CB ALA 1 41 -1.988 9.389 -2.846 1.00 0.00 C ATOM 0 H ALA 1 41 -0.302 8.316 -1.401 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.844 9.401 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -2.890 9.771 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -1.317 10.218 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -1.490 8.689 -3.517 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.777 6.418 -2.297 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.576 5.238 -2.580 1.00 0.00 C ATOM 317 C GLN 1 42 -4.175 4.701 -1.287 1.00 0.00 C ATOM 318 O GLN 1 42 -5.313 4.237 -1.263 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.723 4.160 -3.252 1.00 0.00 C ATOM 320 CG GLN 1 42 -2.566 4.357 -4.751 1.00 0.00 C ATOM 321 CD GLN 1 42 -1.234 4.981 -5.120 1.00 0.00 C ATOM 322 OE1 GLN 1 42 -1.175 6.122 -5.577 1.00 0.00 O ATOM 323 NE2 GLN 1 42 -0.155 4.232 -4.923 1.00 0.00 N ATOM 0 H GLN 1 42 -1.781 6.309 -2.486 1.00 0.00 H new ATOM 0 HA GLN 1 42 -4.381 5.514 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -1.736 4.149 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -3.173 3.184 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -2.664 3.394 -5.253 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -3.374 4.990 -5.117 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 -0.250 3.291 -4.542 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 0.769 4.598 -5.153 1.00 0.00 H new ATOM 332 N LEU 1 43 -3.399 4.787 -0.208 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.848 4.327 1.101 1.00 0.00 C ATOM 334 C LEU 1 43 -5.142 5.025 1.499 1.00 0.00 C ATOM 335 O LEU 1 43 -6.040 4.413 2.078 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.774 4.589 2.158 1.00 0.00 C ATOM 337 CG LEU 1 43 -1.543 3.676 2.102 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.989 3.473 3.499 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.876 2.332 1.466 1.00 0.00 C ATOM 0 H LEU 1 43 -2.455 5.172 -0.217 1.00 0.00 H new ATOM 0 HA LEU 1 43 -4.030 3.254 1.039 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -2.441 5.622 2.061 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -3.230 4.492 3.143 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.789 4.160 1.481 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 -0.115 2.824 3.453 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 -0.703 4.437 3.921 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.750 3.013 4.129 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.982 1.709 1.442 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -2.649 1.834 2.051 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -2.236 2.490 0.449 1.00 0.00 H new ATOM 351 N SER 1 44 -5.228 6.311 1.182 1.00 0.00 N ATOM 352 CA SER 1 44 -6.410 7.099 1.504 1.00 0.00 C ATOM 353 C SER 1 44 -7.566 6.766 0.564 1.00 0.00 C ATOM 354 O SER 1 44 -8.731 6.823 0.958 1.00 0.00 O ATOM 355 CB SER 1 44 -6.089 8.593 1.425 1.00 0.00 C ATOM 356 OG SER 1 44 -5.522 9.058 2.638 1.00 0.00 O ATOM 0 H SER 1 44 -4.493 6.830 0.702 1.00 0.00 H new ATOM 0 HA SER 1 44 -6.712 6.850 2.521 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -5.397 8.776 0.603 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -6.999 9.153 1.207 1.00 0.00 H new ATOM 0 HG SER 1 44 -5.324 10.015 2.561 1.00 0.00 H new ATOM 362 N THR 1 45 -7.243 6.429 -0.682 1.00 0.00 N ATOM 363 CA THR 1 45 -8.268 6.102 -1.670 1.00 0.00 C ATOM 364 C THR 1 45 -8.762 4.657 -1.529 1.00 0.00 C ATOM 365 O THR 1 45 -9.759 4.278 -2.143 1.00 0.00 O ATOM 366 CB THR 1 45 -7.743 6.355 -3.090 1.00 0.00 C ATOM 367 OG1 THR 1 45 -8.811 6.661 -3.969 1.00 0.00 O ATOM 368 CG2 THR 1 45 -6.984 5.187 -3.687 1.00 0.00 C ATOM 0 H THR 1 45 -6.286 6.375 -1.030 1.00 0.00 H new ATOM 0 HA THR 1 45 -9.120 6.756 -1.485 1.00 0.00 H new ATOM 0 HB THR 1 45 -7.051 7.191 -2.986 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -8.458 6.821 -4.869 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -6.647 5.447 -4.691 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -6.121 4.957 -3.063 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -7.638 4.316 -3.738 1.00 0.00 H new ATOM 376 N ILE 1 46 -8.067 3.853 -0.723 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.457 2.457 -0.521 1.00 0.00 C ATOM 378 C ILE 1 46 -9.923 2.347 -0.104 1.00 0.00 C ATOM 379 O ILE 1 46 -10.525 3.320 0.351 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.576 1.766 0.541 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -6.097 1.936 0.187 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.934 0.288 0.654 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -5.163 1.113 1.046 1.00 0.00 C ATOM 0 H ILE 1 46 -7.238 4.141 -0.203 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.315 1.953 -1.477 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.760 2.235 1.508 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.950 1.662 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.829 2.988 0.282 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.303 -0.183 1.408 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.980 0.188 0.943 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -7.776 -0.199 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -4.133 1.288 0.734 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -5.280 1.402 2.090 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -5.402 0.056 0.933 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.488 1.154 -0.265 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.882 0.901 0.091 1.00 0.00 C ATOM 397 C GLU 1 47 -12.094 0.904 1.609 1.00 0.00 C ATOM 398 O GLU 1 47 -13.209 0.686 2.082 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.338 -0.437 -0.492 1.00 0.00 C ATOM 400 CG GLU 1 47 -11.989 -0.610 -1.961 1.00 0.00 C ATOM 401 CD GLU 1 47 -13.214 -0.783 -2.837 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -13.896 -1.821 -2.706 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -13.491 0.119 -3.655 1.00 0.00 O ATOM 0 H GLU 1 47 -9.999 0.342 -0.642 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.480 1.709 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -11.883 -1.247 0.079 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.417 -0.528 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -11.424 0.258 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.340 -1.478 -2.076 1.00 0.00 H new ATOM 410 N SER 1 48 -11.025 1.143 2.368 1.00 0.00 N ATOM 411 CA SER 1 48 -11.101 1.164 3.829 1.00 0.00 C ATOM 412 C SER 1 48 -11.992 2.295 4.354 1.00 0.00 C ATOM 413 O SER 1 48 -12.023 2.553 5.557 1.00 0.00 O ATOM 414 CB SER 1 48 -9.699 1.294 4.425 1.00 0.00 C ATOM 415 OG SER 1 48 -8.834 1.996 3.549 1.00 0.00 O ATOM 0 H SER 1 48 -10.094 1.325 1.994 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.553 0.222 4.139 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -9.754 1.815 5.381 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.292 0.303 4.625 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.945 2.067 3.955 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.722 2.962 3.461 1.00 0.00 N ATOM 422 CA ASP 1 49 -13.614 4.051 3.850 1.00 0.00 C ATOM 423 C ASP 1 49 -14.876 3.520 4.537 1.00 0.00 C ATOM 424 O ASP 1 49 -15.958 4.084 4.373 1.00 0.00 O ATOM 425 CB ASP 1 49 -14.001 4.881 2.624 1.00 0.00 C ATOM 426 CG ASP 1 49 -14.333 6.317 2.980 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -13.404 7.152 3.011 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -15.522 6.608 3.228 1.00 0.00 O ATOM 0 H ASP 1 49 -12.712 2.766 2.460 1.00 0.00 H new ATOM 0 HA ASP 1 49 -13.079 4.682 4.560 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -13.181 4.868 1.906 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -14.861 4.423 2.135 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.729 2.426 5.291 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.844 1.795 5.999 1.00 0.00 C ATOM 435 C GLU 1 50 -16.542 0.778 5.104 1.00 0.00 C ATOM 436 O GLU 1 50 -17.673 0.988 4.665 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.847 2.836 6.509 1.00 0.00 C ATOM 438 CG GLU 1 50 -17.337 2.558 7.919 1.00 0.00 C ATOM 439 CD GLU 1 50 -18.736 1.973 7.947 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -18.900 0.808 7.530 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -19.667 2.682 8.385 1.00 0.00 O ATOM 0 H GLU 1 50 -13.835 1.955 5.427 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.433 1.276 6.865 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -16.383 3.822 6.481 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.702 2.867 5.834 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -16.649 1.869 8.409 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -17.323 3.484 8.493 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.854 -0.330 4.840 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.396 -1.390 4.001 1.00 0.00 C ATOM 450 C VAL 1 51 -16.100 -2.765 4.596 1.00 0.00 C ATOM 451 O VAL 1 51 -15.623 -2.873 5.726 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.831 -1.316 2.566 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.945 0.100 2.024 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.386 -1.790 2.524 1.00 0.00 C ATOM 0 H VAL 1 51 -14.917 -0.515 5.198 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.476 -1.246 3.959 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.421 -1.979 1.934 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.542 0.136 1.012 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.993 0.400 2.009 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -15.382 0.780 2.663 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -14.012 -1.728 1.502 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.777 -1.159 3.172 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.332 -2.823 2.868 1.00 0.00 H new ATOM 464 N THR 1 52 -16.382 -3.812 3.828 1.00 0.00 N ATOM 465 CA THR 1 52 -16.141 -5.178 4.279 1.00 0.00 C ATOM 466 C THR 1 52 -14.861 -5.734 3.656 1.00 0.00 C ATOM 467 O THR 1 52 -14.864 -6.172 2.506 1.00 0.00 O ATOM 468 CB THR 1 52 -17.327 -6.073 3.915 1.00 0.00 C ATOM 469 OG1 THR 1 52 -17.103 -7.403 4.347 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.611 -6.115 2.429 1.00 0.00 C ATOM 0 H THR 1 52 -16.778 -3.741 2.891 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.024 -5.164 5.363 1.00 0.00 H new ATOM 0 HB THR 1 52 -18.186 -5.633 4.421 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -17.873 -7.959 4.106 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.464 -6.767 2.240 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -17.837 -5.110 2.073 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -16.737 -6.498 1.902 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.741 -5.718 4.404 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.457 -6.220 3.902 1.00 0.00 C ATOM 480 C PRO 1 53 -12.486 -7.717 3.613 1.00 0.00 C ATOM 481 O PRO 1 53 -12.676 -8.534 4.515 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.473 -5.911 5.036 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.318 -5.761 6.253 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.634 -5.210 5.783 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.189 -5.755 2.954 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -10.746 -6.714 5.157 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -10.910 -5.000 4.832 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.454 -6.720 6.753 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -11.849 -5.089 6.972 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.460 -5.556 6.404 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -13.648 -4.120 5.813 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.289 -8.065 2.347 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.282 -9.456 1.916 1.00 0.00 C ATOM 494 C ASP 1 54 -11.309 -9.649 0.759 1.00 0.00 C ATOM 495 O ASP 1 54 -10.633 -8.707 0.345 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.687 -9.894 1.499 1.00 0.00 C ATOM 497 CG ASP 1 54 -13.989 -11.325 1.899 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -13.288 -12.238 1.413 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -14.927 -11.533 2.698 1.00 0.00 O ATOM 0 H ASP 1 54 -12.131 -7.395 1.595 1.00 0.00 H new ATOM 0 HA ASP 1 54 -11.958 -10.073 2.754 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.422 -9.230 1.954 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.791 -9.792 0.419 1.00 0.00 H new ATOM 504 N ARG 1 55 -11.239 -10.873 0.241 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.345 -11.188 -0.873 1.00 0.00 C ATOM 506 C ARG 1 55 -10.407 -10.109 -1.954 1.00 0.00 C ATOM 507 O ARG 1 55 -9.428 -9.863 -2.658 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.703 -12.550 -1.471 1.00 0.00 C ATOM 509 CG ARG 1 55 -9.797 -13.677 -1.003 1.00 0.00 C ATOM 510 CD ARG 1 55 -10.391 -14.412 0.188 1.00 0.00 C ATOM 511 NE ARG 1 55 -9.951 -13.841 1.459 1.00 0.00 N ATOM 512 CZ ARG 1 55 -8.689 -13.862 1.883 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -7.742 -14.423 1.142 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -8.375 -13.321 3.053 1.00 0.00 N ATOM 0 H ARG 1 55 -11.790 -11.664 0.574 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.327 -11.224 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -11.734 -12.792 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -10.655 -12.484 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -9.635 -14.379 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -8.822 -13.273 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -11.479 -14.375 0.131 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -10.105 -15.463 0.145 1.00 0.00 H new ATOM 0 HE ARG 1 55 -10.651 -13.401 2.056 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -7.979 -14.841 0.242 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -6.777 -14.436 1.472 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -9.100 -12.890 3.626 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -7.409 -13.336 3.379 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.564 -9.467 -2.074 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.756 -8.412 -3.063 1.00 0.00 C ATOM 530 C ARG 1 56 -11.086 -7.120 -2.613 1.00 0.00 C ATOM 531 O ARG 1 56 -10.435 -6.437 -3.403 1.00 0.00 O ATOM 532 CB ARG 1 56 -13.247 -8.167 -3.297 1.00 0.00 C ATOM 533 CG ARG 1 56 -14.000 -7.750 -2.043 1.00 0.00 C ATOM 534 CD ARG 1 56 -15.456 -8.188 -2.093 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.611 -9.612 -1.798 1.00 0.00 N ATOM 536 CZ ARG 1 56 -15.712 -10.562 -2.726 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -15.669 -10.255 -4.017 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -15.855 -11.829 -2.361 1.00 0.00 N ATOM 0 H ARG 1 56 -12.384 -9.659 -1.498 1.00 0.00 H new ATOM 0 HA ARG 1 56 -11.297 -8.737 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -13.365 -7.393 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.698 -9.076 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -13.518 -8.185 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -13.949 -6.667 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -16.035 -7.605 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -15.864 -7.976 -3.081 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.644 -9.896 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -15.558 -9.283 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -15.747 -10.991 -4.719 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -15.887 -12.074 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -15.933 -12.558 -3.070 1.00 0.00 H new ATOM 552 N PHE 1 57 -11.236 -6.801 -1.333 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.634 -5.603 -0.766 1.00 0.00 C ATOM 554 C PHE 1 57 -9.124 -5.726 -0.845 1.00 0.00 C ATOM 555 O PHE 1 57 -8.417 -4.772 -1.173 1.00 0.00 O ATOM 556 CB PHE 1 57 -11.079 -5.437 0.689 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.669 -4.137 1.324 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.331 -3.826 1.506 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.627 -3.231 1.750 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.957 -2.635 2.098 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.260 -2.038 2.343 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.922 -1.740 2.517 1.00 0.00 C ATOM 0 H PHE 1 57 -11.771 -7.358 -0.667 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.955 -4.726 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -12.165 -5.522 0.735 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.669 -6.259 1.277 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.572 -4.522 1.181 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.674 -3.460 1.617 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.911 -2.404 2.233 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -12.017 -1.340 2.670 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.631 -0.809 2.980 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.647 -6.929 -0.558 1.00 0.00 N ATOM 573 CA ARG 1 58 -7.231 -7.238 -0.603 1.00 0.00 C ATOM 574 C ARG 1 58 -6.639 -6.857 -1.957 1.00 0.00 C ATOM 575 O ARG 1 58 -5.773 -5.987 -2.047 1.00 0.00 O ATOM 576 CB ARG 1 58 -7.050 -8.733 -0.353 1.00 0.00 C ATOM 577 CG ARG 1 58 -6.277 -9.056 0.909 1.00 0.00 C ATOM 578 CD ARG 1 58 -7.099 -8.751 2.150 1.00 0.00 C ATOM 579 NE ARG 1 58 -6.263 -8.321 3.266 1.00 0.00 N ATOM 580 CZ ARG 1 58 -6.693 -7.551 4.261 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -7.953 -7.134 4.295 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -5.862 -7.202 5.230 1.00 0.00 N ATOM 0 H ARG 1 58 -9.235 -7.717 -0.287 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.710 -6.665 0.164 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -8.032 -9.203 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.534 -9.174 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -5.995 -10.109 0.906 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.353 -8.478 0.931 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -7.827 -7.972 1.921 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -7.662 -9.638 2.439 1.00 0.00 H new ATOM 0 HE ARG 1 58 -5.291 -8.629 3.284 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -8.600 -7.404 3.554 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -8.274 -6.544 5.062 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -4.894 -7.524 5.212 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -6.189 -6.611 5.994 1.00 0.00 H new ATOM 596 N ALA 1 59 -7.120 -7.514 -3.010 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.647 -7.245 -4.363 1.00 0.00 C ATOM 598 C ALA 1 59 -6.780 -5.766 -4.702 1.00 0.00 C ATOM 599 O ALA 1 59 -5.878 -5.169 -5.289 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.413 -8.091 -5.368 1.00 0.00 C ATOM 0 H ALA 1 59 -7.837 -8.237 -2.951 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.591 -7.511 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.049 -7.880 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.264 -9.147 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.475 -7.853 -5.309 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.909 -5.176 -4.320 1.00 0.00 N ATOM 607 CA ARG 1 60 -8.160 -3.762 -4.574 1.00 0.00 C ATOM 608 C ARG 1 60 -6.997 -2.916 -4.070 1.00 0.00 C ATOM 609 O ARG 1 60 -6.523 -2.014 -4.762 1.00 0.00 O ATOM 610 CB ARG 1 60 -9.458 -3.322 -3.893 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.687 -3.462 -4.775 1.00 0.00 C ATOM 612 CD ARG 1 60 -11.933 -3.748 -3.953 1.00 0.00 C ATOM 613 NE ARG 1 60 -13.140 -3.762 -4.776 1.00 0.00 N ATOM 614 CZ ARG 1 60 -13.476 -4.767 -5.582 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -12.699 -5.839 -5.677 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -14.592 -4.699 -6.295 1.00 0.00 N ATOM 0 H ARG 1 60 -8.665 -5.657 -3.833 1.00 0.00 H new ATOM 0 HA ARG 1 60 -8.259 -3.618 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.602 -3.913 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -9.361 -2.282 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.831 -2.546 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -10.531 -4.267 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -11.824 -4.710 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -12.034 -2.993 -3.173 1.00 0.00 H new ATOM 0 HE ARG 1 60 -13.762 -2.955 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -11.839 -5.896 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -12.962 -6.606 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -15.192 -3.877 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -14.850 -5.468 -6.913 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.537 -3.223 -2.863 1.00 0.00 N ATOM 631 CA VAL 1 61 -5.423 -2.503 -2.265 1.00 0.00 C ATOM 632 C VAL 1 61 -4.113 -2.889 -2.935 1.00 0.00 C ATOM 633 O VAL 1 61 -3.344 -2.029 -3.361 1.00 0.00 O ATOM 634 CB VAL 1 61 -5.311 -2.788 -0.756 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.321 -1.833 -0.104 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.674 -2.694 -0.090 1.00 0.00 C ATOM 0 H VAL 1 61 -6.920 -3.967 -2.280 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.615 -1.440 -2.411 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.940 -3.804 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -4.255 -2.049 0.962 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.339 -1.958 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.659 -0.806 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.573 -2.899 0.976 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -7.079 -1.692 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -7.349 -3.424 -0.537 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.868 -4.193 -3.029 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.650 -4.697 -3.650 1.00 0.00 C ATOM 648 C ASP 1 62 -2.491 -4.130 -5.055 1.00 0.00 C ATOM 649 O ASP 1 62 -1.385 -3.807 -5.486 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.669 -6.226 -3.701 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.277 -6.823 -3.642 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.320 -6.141 -4.065 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.144 -7.973 -3.173 1.00 0.00 O ATOM 0 H ASP 1 62 -4.497 -4.918 -2.683 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.801 -4.376 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.261 -6.607 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -3.162 -6.550 -4.617 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.610 -4.001 -5.758 1.00 0.00 N ATOM 659 CA ASP 1 63 -3.605 -3.461 -7.109 1.00 0.00 C ATOM 660 C ASP 1 63 -3.357 -1.959 -7.074 1.00 0.00 C ATOM 661 O ASP 1 63 -2.691 -1.406 -7.949 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.937 -3.756 -7.800 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.789 -3.919 -9.300 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -4.806 -2.894 -10.013 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.655 -5.072 -9.761 1.00 0.00 O ATOM 0 H ASP 1 63 -4.533 -4.264 -5.413 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.803 -3.937 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -5.367 -4.665 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -5.637 -2.947 -7.593 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.897 -1.307 -6.050 1.00 0.00 N ATOM 671 CA ALA 1 64 -3.736 0.132 -5.888 1.00 0.00 C ATOM 672 C ALA 1 64 -2.264 0.505 -5.771 1.00 0.00 C ATOM 673 O ALA 1 64 -1.737 1.253 -6.594 1.00 0.00 O ATOM 674 CB ALA 1 64 -4.506 0.617 -4.669 1.00 0.00 C ATOM 0 H ALA 1 64 -4.451 -1.754 -5.319 1.00 0.00 H new ATOM 0 HA ALA 1 64 -4.140 0.622 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -4.376 1.694 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -5.565 0.390 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -4.130 0.115 -3.778 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.600 -0.024 -4.747 1.00 0.00 N ATOM 681 CA ILE 1 65 -0.186 0.252 -4.532 1.00 0.00 C ATOM 682 C ILE 1 65 0.629 -0.077 -5.773 1.00 0.00 C ATOM 683 O ILE 1 65 1.336 0.772 -6.301 1.00 0.00 O ATOM 684 CB ILE 1 65 0.370 -0.558 -3.346 1.00 0.00 C ATOM 685 CG1 ILE 1 65 -0.350 -0.166 -2.056 1.00 0.00 C ATOM 686 CG2 ILE 1 65 1.872 -0.345 -3.206 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -1.449 -1.126 -1.661 1.00 0.00 C ATOM 0 H ILE 1 65 -2.019 -0.645 -4.055 1.00 0.00 H new ATOM 0 HA ILE 1 65 -0.102 1.316 -4.311 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.193 -1.617 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.378 -0.107 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.775 0.831 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.245 -0.926 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.372 -0.669 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.075 0.712 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.916 -0.785 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -2.198 -1.167 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -1.027 -2.119 -1.509 1.00 0.00 H new ATOM 699 N ARG 1 66 0.527 -1.321 -6.224 1.00 0.00 N ATOM 700 CA ARG 1 66 1.258 -1.780 -7.398 1.00 0.00 C ATOM 701 C ARG 1 66 1.147 -0.785 -8.550 1.00 0.00 C ATOM 702 O ARG 1 66 2.150 -0.422 -9.162 1.00 0.00 O ATOM 703 CB ARG 1 66 0.730 -3.147 -7.829 1.00 0.00 C ATOM 704 CG ARG 1 66 1.452 -3.726 -9.030 1.00 0.00 C ATOM 705 CD ARG 1 66 1.504 -5.244 -8.971 1.00 0.00 C ATOM 706 NE ARG 1 66 1.543 -5.843 -10.302 1.00 0.00 N ATOM 707 CZ ARG 1 66 0.471 -6.006 -11.074 1.00 0.00 C ATOM 708 NH1 ARG 1 66 -0.725 -5.614 -10.652 1.00 0.00 N ATOM 709 NH2 ARG 1 66 0.594 -6.563 -12.271 1.00 0.00 N ATOM 0 H ARG 1 66 -0.059 -2.034 -5.791 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.312 -1.862 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 0.818 -3.841 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 -0.332 -3.060 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 0.948 -3.414 -9.944 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 2.466 -3.328 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 2.384 -5.555 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 0.633 -5.616 -8.432 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.445 -6.155 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 -0.826 -5.185 -9.732 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 -1.543 -5.741 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 1.510 -6.867 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 -0.228 -6.688 -12.862 1.00 0.00 H new ATOM 723 N GLU 1 67 -0.072 -0.337 -8.837 1.00 0.00 N ATOM 724 CA GLU 1 67 -0.288 0.627 -9.911 1.00 0.00 C ATOM 725 C GLU 1 67 0.489 1.904 -9.628 1.00 0.00 C ATOM 726 O GLU 1 67 1.315 2.332 -10.434 1.00 0.00 O ATOM 727 CB GLU 1 67 -1.779 0.938 -10.063 1.00 0.00 C ATOM 728 CG GLU 1 67 -2.587 -0.223 -10.619 1.00 0.00 C ATOM 729 CD GLU 1 67 -2.781 -0.133 -12.120 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -1.768 -0.144 -12.851 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -3.945 -0.051 -12.565 1.00 0.00 O ATOM 0 H GLU 1 67 -0.919 -0.623 -8.345 1.00 0.00 H new ATOM 0 HA GLU 1 67 0.070 0.193 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -2.184 1.220 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -1.897 1.800 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -2.084 -1.159 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -3.562 -0.249 -10.131 1.00 0.00 H new ATOM 738 N GLY 1 68 0.237 2.495 -8.466 1.00 0.00 N ATOM 739 CA GLY 1 68 0.945 3.700 -8.090 1.00 0.00 C ATOM 740 C GLY 1 68 2.431 3.444 -7.952 1.00 0.00 C ATOM 741 O GLY 1 68 3.244 4.340 -8.160 1.00 0.00 O ATOM 0 H GLY 1 68 -0.442 2.162 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 0.775 4.473 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 0.550 4.078 -7.147 1.00 0.00 H new ATOM 745 N LEU 1 69 2.776 2.203 -7.612 1.00 0.00 N ATOM 746 CA LEU 1 69 4.165 1.796 -7.451 1.00 0.00 C ATOM 747 C LEU 1 69 4.806 1.556 -8.819 1.00 0.00 C ATOM 748 O LEU 1 69 6.010 1.721 -8.996 1.00 0.00 O ATOM 749 CB LEU 1 69 4.247 0.538 -6.557 1.00 0.00 C ATOM 750 CG LEU 1 69 4.441 0.830 -5.063 1.00 0.00 C ATOM 751 CD1 LEU 1 69 4.799 -0.439 -4.308 1.00 0.00 C ATOM 752 CD2 LEU 1 69 5.515 1.891 -4.864 1.00 0.00 C ATOM 0 H LEU 1 69 2.102 1.457 -7.442 1.00 0.00 H new ATOM 0 HA LEU 1 69 4.721 2.594 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 3.334 -0.043 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 5.072 -0.085 -6.903 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.501 1.210 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 4.932 -0.208 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 3.997 -1.169 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 5.725 -0.852 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.640 2.087 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 6.458 1.537 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 5.217 2.810 -5.369 1.00 0.00 H new ATOM 764 N LYS 1 70 3.980 1.193 -9.791 1.00 0.00 N ATOM 765 CA LYS 1 70 4.448 0.952 -11.154 1.00 0.00 C ATOM 766 C LYS 1 70 4.742 2.266 -11.875 1.00 0.00 C ATOM 767 O LYS 1 70 5.403 2.278 -12.913 1.00 0.00 O ATOM 768 CB LYS 1 70 3.400 0.150 -11.931 1.00 0.00 C ATOM 769 CG LYS 1 70 3.733 -0.028 -13.404 1.00 0.00 C ATOM 770 CD LYS 1 70 3.022 -1.236 -13.993 1.00 0.00 C ATOM 771 CE LYS 1 70 3.601 -2.537 -13.462 1.00 0.00 C ATOM 772 NZ LYS 1 70 3.178 -3.708 -14.279 1.00 0.00 N ATOM 0 H LYS 1 70 2.977 1.058 -9.662 1.00 0.00 H new ATOM 0 HA LYS 1 70 5.374 0.380 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 3.293 -0.832 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 2.435 0.650 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 3.446 0.868 -13.954 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 4.810 -0.144 -13.523 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 1.959 -1.186 -13.755 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 3.107 -1.215 -15.079 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 4.689 -2.474 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.283 -2.681 -12.429 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 3.878 -4.471 -14.181 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 2.251 -4.045 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 3.109 -3.428 -15.278 1.00 0.00 H new ATOM 786 N ALA 1 71 4.233 3.364 -11.331 1.00 0.00 N ATOM 787 CA ALA 1 71 4.425 4.676 -11.937 1.00 0.00 C ATOM 788 C ALA 1 71 5.539 5.488 -11.274 1.00 0.00 C ATOM 789 O ALA 1 71 5.842 6.597 -11.714 1.00 0.00 O ATOM 790 CB ALA 1 71 3.120 5.454 -11.913 1.00 0.00 C ATOM 0 H ALA 1 71 3.684 3.373 -10.471 1.00 0.00 H new ATOM 0 HA ALA 1 71 4.737 4.506 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 3.272 6.433 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 2.361 4.908 -12.473 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 2.790 5.580 -10.882 1.00 0.00 H new ATOM 796 N LEU 1 72 6.133 4.961 -10.209 1.00 0.00 N ATOM 797 CA LEU 1 72 7.188 5.688 -9.502 1.00 0.00 C ATOM 798 C LEU 1 72 8.503 4.910 -9.442 1.00 0.00 C ATOM 799 O LEU 1 72 9.391 5.253 -8.660 1.00 0.00 O ATOM 800 CB LEU 1 72 6.724 6.017 -8.085 1.00 0.00 C ATOM 801 CG LEU 1 72 5.936 4.904 -7.401 1.00 0.00 C ATOM 802 CD1 LEU 1 72 6.878 3.834 -6.869 1.00 0.00 C ATOM 803 CD2 LEU 1 72 5.076 5.473 -6.283 1.00 0.00 C ATOM 0 H LEU 1 72 5.908 4.046 -9.818 1.00 0.00 H new ATOM 0 HA LEU 1 72 7.379 6.603 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.597 6.253 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 6.106 6.914 -8.118 1.00 0.00 H new ATOM 0 HG LEU 1 72 5.277 4.441 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 6.299 3.048 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 7.448 3.408 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 7.563 4.278 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 4.520 4.666 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 5.714 5.961 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 4.377 6.200 -6.696 1.00 0.00 H new ATOM 815 N GLY 1 73 8.640 3.875 -10.265 1.00 0.00 N ATOM 816 CA GLY 1 73 9.872 3.101 -10.265 1.00 0.00 C ATOM 817 C GLY 1 73 9.681 1.665 -9.818 1.00 0.00 C ATOM 818 O GLY 1 73 10.573 0.838 -9.987 1.00 0.00 O ATOM 0 H GLY 1 73 7.930 3.559 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 10.297 3.108 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 10.596 3.585 -9.609 1.00 0.00 H new ATOM 822 N TYR 1 74 8.530 1.364 -9.237 1.00 0.00 N ATOM 823 CA TYR 1 74 8.261 0.019 -8.754 1.00 0.00 C ATOM 824 C TYR 1 74 7.386 -0.766 -9.729 1.00 0.00 C ATOM 825 O TYR 1 74 6.171 -0.602 -9.756 1.00 0.00 O ATOM 826 CB TYR 1 74 7.592 0.110 -7.389 1.00 0.00 C ATOM 827 CG TYR 1 74 8.557 0.349 -6.251 1.00 0.00 C ATOM 828 CD1 TYR 1 74 9.673 1.156 -6.420 1.00 0.00 C ATOM 829 CD2 TYR 1 74 8.346 -0.223 -5.008 1.00 0.00 C ATOM 830 CE1 TYR 1 74 10.553 1.382 -5.382 1.00 0.00 C ATOM 831 CE2 TYR 1 74 9.222 -0.001 -3.961 1.00 0.00 C ATOM 832 CZ TYR 1 74 10.324 0.802 -4.154 1.00 0.00 C ATOM 833 OH TYR 1 74 11.199 1.026 -3.116 1.00 0.00 O ATOM 0 H TYR 1 74 7.771 2.029 -9.089 1.00 0.00 H new ATOM 0 HA TYR 1 74 9.206 -0.518 -8.669 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 6.859 0.917 -7.407 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 7.045 -0.814 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 9.856 1.615 -7.380 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 7.483 -0.853 -4.853 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 11.418 2.011 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 9.043 -0.455 -2.998 1.00 0.00 H new ATOM 0 HH TYR 1 74 10.892 0.545 -2.319 1.00 0.00 H new ATOM 843 N TYR 1 75 8.019 -1.623 -10.528 1.00 0.00 N ATOM 844 CA TYR 1 75 7.311 -2.429 -11.519 1.00 0.00 C ATOM 845 C TYR 1 75 6.121 -3.180 -10.919 1.00 0.00 C ATOM 846 O TYR 1 75 4.984 -2.718 -11.001 1.00 0.00 O ATOM 847 CB TYR 1 75 8.277 -3.416 -12.183 1.00 0.00 C ATOM 848 CG TYR 1 75 8.695 -3.010 -13.579 1.00 0.00 C ATOM 849 CD1 TYR 1 75 7.772 -2.493 -14.480 1.00 0.00 C ATOM 850 CD2 TYR 1 75 10.014 -3.145 -13.995 1.00 0.00 C ATOM 851 CE1 TYR 1 75 8.151 -2.122 -15.756 1.00 0.00 C ATOM 852 CE2 TYR 1 75 10.400 -2.775 -15.269 1.00 0.00 C ATOM 853 CZ TYR 1 75 9.466 -2.265 -16.146 1.00 0.00 C ATOM 854 OH TYR 1 75 9.848 -1.897 -17.415 1.00 0.00 O ATOM 0 H TYR 1 75 9.027 -1.777 -10.507 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.915 -1.744 -12.268 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 9.167 -3.515 -11.561 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.807 -4.399 -12.225 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 6.741 -2.379 -14.178 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 10.749 -3.545 -13.312 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 7.421 -1.722 -16.444 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 11.429 -2.885 -15.577 1.00 0.00 H new ATOM 0 HH TYR 1 75 10.808 -2.061 -17.528 1.00 0.00 H new ATOM 864 N GLN 1 76 6.383 -4.347 -10.335 1.00 0.00 N ATOM 865 CA GLN 1 76 5.316 -5.159 -9.750 1.00 0.00 C ATOM 866 C GLN 1 76 5.672 -5.641 -8.344 1.00 0.00 C ATOM 867 O GLN 1 76 5.733 -6.844 -8.086 1.00 0.00 O ATOM 868 CB GLN 1 76 5.015 -6.359 -10.651 1.00 0.00 C ATOM 869 CG GLN 1 76 4.626 -5.973 -12.069 1.00 0.00 C ATOM 870 CD GLN 1 76 4.517 -7.172 -12.990 1.00 0.00 C ATOM 871 OE1 GLN 1 76 5.309 -8.111 -12.902 1.00 0.00 O ATOM 872 NE2 GLN 1 76 3.533 -7.147 -13.881 1.00 0.00 N ATOM 0 H GLN 1 76 7.316 -4.750 -10.254 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.430 -4.529 -9.671 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 5.892 -7.005 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 4.208 -6.942 -10.208 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 3.672 -5.446 -12.050 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 5.365 -5.279 -12.468 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 2.899 -6.348 -13.919 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 3.411 -7.926 -14.528 1.00 0.00 H new ATOM 881 N PRO 1 77 5.908 -4.704 -7.414 1.00 0.00 N ATOM 882 CA PRO 1 77 6.254 -5.031 -6.027 1.00 0.00 C ATOM 883 C PRO 1 77 5.288 -6.011 -5.383 1.00 0.00 C ATOM 884 O PRO 1 77 4.110 -6.065 -5.740 1.00 0.00 O ATOM 885 CB PRO 1 77 6.145 -3.686 -5.313 1.00 0.00 C ATOM 886 CG PRO 1 77 6.403 -2.677 -6.360 1.00 0.00 C ATOM 887 CD PRO 1 77 5.859 -3.248 -7.639 1.00 0.00 C ATOM 0 HA PRO 1 77 7.233 -5.507 -5.971 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.158 -3.553 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 6.870 -3.609 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 5.916 -1.732 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.470 -2.472 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 4.842 -2.906 -7.831 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.462 -2.954 -8.498 1.00 0.00 H new ATOM 895 N THR 1 78 5.781 -6.755 -4.399 1.00 0.00 N ATOM 896 CA THR 1 78 4.943 -7.692 -3.673 1.00 0.00 C ATOM 897 C THR 1 78 4.350 -6.979 -2.466 1.00 0.00 C ATOM 898 O THR 1 78 5.039 -6.738 -1.475 1.00 0.00 O ATOM 899 CB THR 1 78 5.754 -8.910 -3.225 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.792 -9.188 -4.149 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.920 -10.164 -3.080 1.00 0.00 C ATOM 0 H THR 1 78 6.752 -6.725 -4.090 1.00 0.00 H new ATOM 0 HA THR 1 78 4.144 -8.046 -4.325 1.00 0.00 H new ATOM 0 HB THR 1 78 6.156 -8.646 -2.247 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.541 -8.576 -3.993 1.00 0.00 H new ATOM 0 HG21 THR 1 78 5.556 -10.989 -2.760 1.00 0.00 H new ATOM 0 HG22 THR 1 78 4.140 -9.998 -2.337 1.00 0.00 H new ATOM 0 HG23 THR 1 78 4.462 -10.409 -4.038 1.00 0.00 H new ATOM 909 N ILE 1 79 3.078 -6.613 -2.567 1.00 0.00 N ATOM 910 CA ILE 1 79 2.410 -5.893 -1.494 1.00 0.00 C ATOM 911 C ILE 1 79 1.365 -6.756 -0.796 1.00 0.00 C ATOM 912 O ILE 1 79 0.322 -7.074 -1.367 1.00 0.00 O ATOM 913 CB ILE 1 79 1.745 -4.605 -2.028 1.00 0.00 C ATOM 914 CG1 ILE 1 79 2.778 -3.747 -2.771 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.111 -3.816 -0.889 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.384 -3.404 -4.194 1.00 0.00 C ATOM 0 H ILE 1 79 2.491 -6.803 -3.379 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.176 -5.628 -0.765 1.00 0.00 H new ATOM 0 HB ILE 1 79 0.956 -4.884 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 2.935 -2.823 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 3.731 -4.276 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 0.648 -2.913 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.353 -4.428 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 1.878 -3.542 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.165 -2.796 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.256 -4.322 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.447 -2.847 -4.188 1.00 0.00 H new ATOM 928 N GLU 1 80 1.652 -7.118 0.450 1.00 0.00 N ATOM 929 CA GLU 1 80 0.739 -7.930 1.243 1.00 0.00 C ATOM 930 C GLU 1 80 0.056 -7.076 2.302 1.00 0.00 C ATOM 931 O GLU 1 80 0.377 -5.897 2.462 1.00 0.00 O ATOM 932 CB GLU 1 80 1.484 -9.083 1.911 1.00 0.00 C ATOM 933 CG GLU 1 80 1.643 -10.305 1.021 1.00 0.00 C ATOM 934 CD GLU 1 80 2.533 -11.365 1.639 1.00 0.00 C ATOM 935 OE1 GLU 1 80 3.570 -10.999 2.231 1.00 0.00 O ATOM 936 OE2 GLU 1 80 2.192 -12.562 1.531 1.00 0.00 O ATOM 0 H GLU 1 80 2.513 -6.860 0.933 1.00 0.00 H new ATOM 0 HA GLU 1 80 -0.017 -8.342 0.575 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.471 -8.737 2.218 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 0.952 -9.371 2.817 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 0.661 -10.733 0.819 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 2.061 -9.999 0.062 1.00 0.00 H new ATOM 943 N PHE 1 81 -0.890 -7.671 3.021 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.615 -6.946 4.055 1.00 0.00 C ATOM 945 C PHE 1 81 -1.872 -7.815 5.282 1.00 0.00 C ATOM 946 O PHE 1 81 -2.093 -9.021 5.171 1.00 0.00 O ATOM 947 CB PHE 1 81 -2.939 -6.430 3.493 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.789 -5.750 2.164 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -1.994 -4.625 2.040 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -3.440 -6.235 1.042 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.848 -3.993 0.821 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -3.298 -5.608 -0.181 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.501 -4.485 -0.291 1.00 0.00 C ATOM 0 H PHE 1 81 -1.170 -8.645 2.908 1.00 0.00 H new ATOM 0 HA PHE 1 81 -0.997 -6.105 4.370 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.633 -7.264 3.391 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.381 -5.732 4.204 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -1.481 -4.236 2.907 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -4.065 -7.112 1.124 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.224 -3.115 0.738 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -3.809 -5.995 -1.050 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -2.389 -3.993 -1.246 1.00 0.00 H new ATOM 963 N ASP 1 82 -1.848 -7.184 6.452 1.00 0.00 N ATOM 964 CA ASP 1 82 -2.084 -7.881 7.710 1.00 0.00 C ATOM 965 C ASP 1 82 -3.147 -7.155 8.528 1.00 0.00 C ATOM 966 O ASP 1 82 -2.848 -6.207 9.254 1.00 0.00 O ATOM 967 CB ASP 1 82 -0.787 -7.985 8.514 1.00 0.00 C ATOM 968 CG ASP 1 82 -0.961 -8.780 9.793 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -1.856 -8.431 10.592 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -0.204 -9.753 9.995 1.00 0.00 O ATOM 0 H ASP 1 82 -1.666 -6.186 6.554 1.00 0.00 H new ATOM 0 HA ASP 1 82 -2.439 -8.887 7.484 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 -0.019 -8.454 7.900 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -0.433 -6.983 8.758 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.391 -7.600 8.392 1.00 0.00 N ATOM 976 CA LEU 1 83 -5.508 -6.992 9.103 1.00 0.00 C ATOM 977 C LEU 1 83 -5.442 -7.277 10.599 1.00 0.00 C ATOM 978 O LEU 1 83 -5.237 -8.415 11.020 1.00 0.00 O ATOM 979 CB LEU 1 83 -6.826 -7.521 8.532 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.073 -6.662 8.785 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -7.760 -5.172 8.694 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -9.161 -7.037 7.792 1.00 0.00 C ATOM 0 H LEU 1 83 -4.651 -8.383 7.793 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.450 -5.912 8.966 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.708 -7.643 7.455 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -7.004 -8.513 8.947 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.421 -6.859 9.799 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -8.668 -4.598 8.879 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -7.008 -4.912 9.439 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -7.380 -4.940 7.699 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -10.045 -6.426 7.973 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -8.803 -6.864 6.777 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.416 -8.090 7.912 1.00 0.00 H new ATOM 994 N ARG 1 84 -5.638 -6.233 11.396 1.00 0.00 N ATOM 995 CA ARG 1 84 -5.625 -6.356 12.847 1.00 0.00 C ATOM 996 C ARG 1 84 -6.852 -5.663 13.430 1.00 0.00 C ATOM 997 O ARG 1 84 -6.813 -4.475 13.753 1.00 0.00 O ATOM 998 CB ARG 1 84 -4.343 -5.769 13.460 1.00 0.00 C ATOM 999 CG ARG 1 84 -3.438 -5.046 12.483 1.00 0.00 C ATOM 1000 CD ARG 1 84 -2.221 -5.879 12.142 1.00 0.00 C ATOM 1001 NE ARG 1 84 -1.142 -5.697 13.113 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -0.862 -6.556 14.093 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -1.576 -7.665 14.245 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 0.138 -6.304 14.925 1.00 0.00 N ATOM 0 H ARG 1 84 -5.809 -5.286 11.058 1.00 0.00 H new ATOM 0 HA ARG 1 84 -5.648 -7.417 13.095 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -4.622 -5.076 14.254 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -3.778 -6.577 13.926 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -3.991 -4.817 11.572 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -3.122 -4.095 12.912 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -2.501 -6.932 12.105 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -1.864 -5.609 11.148 1.00 0.00 H new ATOM 0 HE ARG 1 84 -0.567 -4.858 13.035 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -2.347 -7.866 13.608 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -1.353 -8.316 14.998 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 0.691 -5.454 14.815 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 0.354 -6.960 15.676 1.00 0.00 H new ATOM 1018 N PRO 1 85 -7.971 -6.399 13.555 1.00 0.00 N ATOM 1019 CA PRO 1 85 -9.226 -5.859 14.081 1.00 0.00 C ATOM 1020 C PRO 1 85 -9.091 -5.113 15.414 1.00 0.00 C ATOM 1021 O PRO 1 85 -9.882 -4.211 15.686 1.00 0.00 O ATOM 1022 CB PRO 1 85 -10.129 -7.092 14.249 1.00 0.00 C ATOM 1023 CG PRO 1 85 -9.259 -8.281 14.012 1.00 0.00 C ATOM 1024 CD PRO 1 85 -8.109 -7.811 13.171 1.00 0.00 C ATOM 0 HA PRO 1 85 -9.620 -5.105 13.399 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -10.565 -7.122 15.247 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -10.957 -7.068 13.540 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -8.905 -8.696 14.956 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -9.813 -9.071 13.504 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -7.200 -8.376 13.379 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -8.316 -7.921 12.107 1.00 0.00 H new ATOM 1032 N PRO 1 86 -8.130 -5.482 16.289 1.00 0.00 N ATOM 1033 CA PRO 1 86 -7.962 -4.845 17.586 1.00 0.00 C ATOM 1034 C PRO 1 86 -6.831 -3.811 17.627 1.00 0.00 C ATOM 1035 O PRO 1 86 -5.793 -4.048 18.244 1.00 0.00 O ATOM 1036 CB PRO 1 86 -7.613 -6.044 18.467 1.00 0.00 C ATOM 1037 CG PRO 1 86 -6.904 -7.012 17.559 1.00 0.00 C ATOM 1038 CD PRO 1 86 -7.155 -6.567 16.133 1.00 0.00 C ATOM 0 HA PRO 1 86 -8.843 -4.277 17.885 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -6.976 -5.747 19.300 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -8.510 -6.491 18.895 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -5.835 -7.026 17.774 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -7.274 -8.025 17.715 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -6.240 -6.221 15.652 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -7.549 -7.378 15.521 1.00 0.00 H new ATOM 1046 N PRO 1 87 -7.016 -2.640 16.987 1.00 0.00 N ATOM 1047 CA PRO 1 87 -6.000 -1.580 16.984 1.00 0.00 C ATOM 1048 C PRO 1 87 -5.763 -1.013 18.377 1.00 0.00 C ATOM 1049 O PRO 1 87 -6.437 -1.390 19.335 1.00 0.00 O ATOM 1050 CB PRO 1 87 -6.597 -0.502 16.078 1.00 0.00 C ATOM 1051 CG PRO 1 87 -8.061 -0.759 16.100 1.00 0.00 C ATOM 1052 CD PRO 1 87 -8.217 -2.246 16.232 1.00 0.00 C ATOM 0 HA PRO 1 87 -5.033 -1.951 16.645 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -6.365 0.497 16.446 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -6.198 -0.570 15.066 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -8.536 -0.241 16.933 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.535 -0.396 15.188 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -9.132 -2.510 16.763 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -8.260 -2.735 15.259 1.00 0.00 H new ATOM 1060 N LYS 1 88 -4.802 -0.103 18.483 1.00 0.00 N ATOM 1061 CA LYS 1 88 -4.479 0.517 19.760 1.00 0.00 C ATOM 1062 C LYS 1 88 -5.174 1.871 19.915 1.00 0.00 C ATOM 1063 O LYS 1 88 -5.498 2.286 21.028 1.00 0.00 O ATOM 1064 CB LYS 1 88 -2.955 0.665 19.908 1.00 0.00 C ATOM 1065 CG LYS 1 88 -2.403 2.035 19.526 1.00 0.00 C ATOM 1066 CD LYS 1 88 -2.552 2.311 18.037 1.00 0.00 C ATOM 1067 CE LYS 1 88 -1.247 2.796 17.425 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -0.585 1.736 16.616 1.00 0.00 N ATOM 0 H LYS 1 88 -4.234 0.221 17.700 1.00 0.00 H new ATOM 0 HA LYS 1 88 -4.847 -0.132 20.555 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -2.683 0.455 20.942 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -2.469 -0.091 19.291 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.924 2.807 20.092 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -1.350 2.092 19.802 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -2.878 1.403 17.529 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -3.328 3.060 17.881 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -1.442 3.664 16.796 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -0.573 3.122 18.218 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 0.301 2.107 16.216 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -0.376 0.917 17.222 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -1.217 1.443 15.844 1.00 0.00 H new ATOM 1082 N LYS 1 89 -5.381 2.565 18.798 1.00 0.00 N ATOM 1083 CA LYS 1 89 -6.014 3.882 18.829 1.00 0.00 C ATOM 1084 C LYS 1 89 -7.156 3.998 17.829 1.00 0.00 C ATOM 1085 O LYS 1 89 -7.401 5.075 17.286 1.00 0.00 O ATOM 1086 CB LYS 1 89 -4.974 4.971 18.561 1.00 0.00 C ATOM 1087 CG LYS 1 89 -5.425 6.361 18.978 1.00 0.00 C ATOM 1088 CD LYS 1 89 -4.321 7.387 18.779 1.00 0.00 C ATOM 1089 CE LYS 1 89 -4.384 8.011 17.394 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -5.458 9.037 17.295 1.00 0.00 N ATOM 0 H LYS 1 89 -5.122 2.241 17.866 1.00 0.00 H new ATOM 0 HA LYS 1 89 -6.437 4.014 19.825 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.055 4.722 19.092 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.735 4.980 17.497 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.301 6.650 18.397 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.727 6.348 20.025 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.407 8.167 19.535 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -3.351 6.911 18.921 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.423 8.468 17.158 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -4.557 7.231 16.652 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.782 9.106 16.309 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -6.256 8.764 17.903 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -5.087 9.959 17.603 1.00 0.00 H new ATOM 1104 N GLY 1 90 -7.853 2.898 17.581 1.00 0.00 N ATOM 1105 CA GLY 1 90 -8.951 2.942 16.639 1.00 0.00 C ATOM 1106 C GLY 1 90 -9.879 1.748 16.739 1.00 0.00 C ATOM 1107 O GLY 1 90 -9.968 1.104 17.784 1.00 0.00 O ATOM 0 H GLY 1 90 -7.681 1.988 18.009 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -9.525 3.854 16.804 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -8.550 2.997 15.627 1.00 0.00 H new ATOM 1111 N ARG 1 91 -10.580 1.460 15.645 1.00 0.00 N ATOM 1112 CA ARG 1 91 -11.515 0.344 15.599 1.00 0.00 C ATOM 1113 C ARG 1 91 -10.893 -0.860 14.899 1.00 0.00 C ATOM 1114 O ARG 1 91 -10.920 -1.975 15.419 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.795 0.763 14.875 1.00 0.00 C ATOM 1116 CG ARG 1 91 -13.725 1.616 15.724 1.00 0.00 C ATOM 1117 CD ARG 1 91 -12.995 2.786 16.365 1.00 0.00 C ATOM 1118 NE ARG 1 91 -13.881 3.926 16.591 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -13.496 5.060 17.173 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -12.244 5.210 17.588 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -14.365 6.047 17.340 1.00 0.00 N ATOM 0 H ARG 1 91 -10.516 1.989 14.775 1.00 0.00 H new ATOM 0 HA ARG 1 91 -11.757 0.059 16.623 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -12.528 1.317 13.975 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -13.329 -0.131 14.553 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -14.539 1.992 15.105 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -14.175 0.999 16.502 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -12.564 2.468 17.314 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -12.167 3.091 15.725 1.00 0.00 H new ATOM 0 HE ARG 1 91 -14.851 3.848 16.285 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -11.571 4.454 17.462 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -11.955 6.081 18.033 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -15.328 5.938 17.023 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -14.070 6.916 17.786 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.333 -0.625 13.716 1.00 0.00 N ATOM 1136 CA GLN 1 92 -9.701 -1.687 12.940 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.520 -1.145 12.141 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.636 -0.125 11.462 1.00 0.00 O ATOM 1139 CB GLN 1 92 -10.716 -2.328 11.990 1.00 0.00 C ATOM 1140 CG GLN 1 92 -11.502 -3.467 12.617 1.00 0.00 C ATOM 1141 CD GLN 1 92 -11.766 -4.601 11.645 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -12.915 -4.899 11.319 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -10.701 -5.242 11.176 1.00 0.00 N ATOM 0 H GLN 1 92 -10.304 0.293 13.273 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.335 -2.442 13.636 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.412 -1.563 11.646 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.192 -2.701 11.110 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -10.953 -3.851 13.477 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -12.452 -3.085 12.990 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -9.766 -4.962 11.472 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -10.818 -6.014 10.519 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.381 -1.826 12.228 1.00 0.00 N ATOM 1153 CA VAL 1 93 -6.186 -1.407 11.518 1.00 0.00 C ATOM 1154 C VAL 1 93 -5.741 -2.459 10.509 1.00 0.00 C ATOM 1155 O VAL 1 93 -5.940 -3.657 10.714 1.00 0.00 O ATOM 1156 CB VAL 1 93 -5.027 -1.139 12.488 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -5.111 0.270 13.054 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -5.008 -2.175 13.601 1.00 0.00 C ATOM 0 H VAL 1 93 -7.265 -2.672 12.786 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.442 -0.487 10.993 1.00 0.00 H new ATOM 0 HB VAL 1 93 -4.092 -1.222 11.934 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -4.280 0.437 13.739 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -5.061 0.993 12.240 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -6.052 0.391 13.590 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -4.179 -1.967 14.278 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -5.947 -2.133 14.153 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -4.885 -3.169 13.171 1.00 0.00 H new ATOM 1168 N LEU 1 94 -5.127 -2.000 9.426 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.637 -2.891 8.383 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.238 -2.471 7.939 1.00 0.00 C ATOM 1171 O LEU 1 94 -3.031 -1.337 7.506 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.597 -2.888 7.185 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.438 -4.041 6.177 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -5.350 -3.501 4.758 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.215 -4.894 6.490 1.00 0.00 C ATOM 0 H LEU 1 94 -4.956 -1.011 9.247 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.585 -3.902 8.787 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.618 -2.905 7.566 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.472 -1.947 6.650 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.321 -4.675 6.262 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -5.238 -4.330 4.059 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -6.259 -2.948 4.522 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -4.490 -2.837 4.674 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.135 -5.698 5.758 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.319 -4.275 6.448 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -4.315 -5.321 7.488 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.278 -3.384 8.054 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.901 -3.094 7.667 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.642 -3.462 6.209 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.226 -4.408 5.683 1.00 0.00 O ATOM 1191 CB ILE 1 95 0.104 -3.846 8.560 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.220 -3.615 10.037 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.526 -3.402 8.250 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 0.713 -4.342 10.981 1.00 0.00 C ATOM 0 H ILE 1 95 -2.427 -4.328 8.411 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.761 -2.021 7.795 1.00 0.00 H new ATOM 0 HB ILE 1 95 0.023 -4.913 8.351 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 -0.177 -2.546 10.247 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.243 -3.937 10.231 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 2.224 -3.943 8.890 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.753 -3.613 7.205 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.621 -2.332 8.433 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 0.424 -4.133 12.011 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 0.652 -5.415 10.798 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 1.735 -4.003 10.815 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.241 -2.706 5.562 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.584 -2.950 4.165 1.00 0.00 C ATOM 1208 C ALA 1 96 2.096 -2.921 3.960 1.00 0.00 C ATOM 1209 O ALA 1 96 2.742 -1.894 4.175 1.00 0.00 O ATOM 1210 CB ALA 1 96 -0.090 -1.922 3.269 1.00 0.00 C ATOM 0 H ALA 1 96 0.732 -1.918 5.984 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.224 -3.943 3.895 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.175 -2.116 2.230 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -1.171 -1.990 3.387 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.243 -0.922 3.548 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.654 -4.054 3.546 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.092 -4.156 3.317 1.00 0.00 C ATOM 1218 C LYS 1 97 4.394 -4.515 1.865 1.00 0.00 C ATOM 1219 O LYS 1 97 3.882 -5.504 1.341 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.705 -5.203 4.249 1.00 0.00 C ATOM 1221 CG LYS 1 97 4.205 -5.109 5.682 1.00 0.00 C ATOM 1222 CD LYS 1 97 3.027 -6.039 5.922 1.00 0.00 C ATOM 1223 CE LYS 1 97 3.464 -7.494 5.963 1.00 0.00 C ATOM 1224 NZ LYS 1 97 2.327 -8.423 5.719 1.00 0.00 N ATOM 0 H LYS 1 97 2.135 -4.912 3.362 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.535 -3.183 3.529 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.484 -6.197 3.860 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.789 -5.092 4.243 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 5.014 -5.360 6.368 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 3.910 -4.082 5.899 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 2.542 -5.777 6.862 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 2.288 -5.902 5.133 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 4.237 -7.662 5.213 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 3.909 -7.712 6.934 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 2.667 -9.405 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 1.600 -8.281 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 1.918 -8.233 4.782 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.230 -3.705 1.222 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.602 -3.937 -0.168 1.00 0.00 C ATOM 1240 C VAL 1 98 7.040 -4.442 -0.271 1.00 0.00 C ATOM 1241 O VAL 1 98 7.906 -4.031 0.501 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.455 -2.649 -1.000 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.349 -1.550 -0.445 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 5.764 -2.915 -2.466 1.00 0.00 C ATOM 0 H VAL 1 98 5.662 -2.882 1.642 1.00 0.00 H new ATOM 0 HA VAL 1 98 4.927 -4.696 -0.563 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.421 -2.312 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.232 -0.648 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.068 -1.338 0.587 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.389 -1.875 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.654 -1.992 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 6.786 -3.280 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.073 -3.664 -2.853 1.00 0.00 H new ATOM 1254 N THR 1 99 7.288 -5.335 -1.224 1.00 0.00 N ATOM 1255 CA THR 1 99 8.623 -5.891 -1.415 1.00 0.00 C ATOM 1256 C THR 1 99 8.911 -6.163 -2.891 1.00 0.00 C ATOM 1257 O THR 1 99 8.696 -7.273 -3.379 1.00 0.00 O ATOM 1258 CB THR 1 99 8.778 -7.182 -0.610 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.495 -6.956 0.760 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.165 -7.781 -0.700 1.00 0.00 C ATOM 0 H THR 1 99 6.585 -5.688 -1.874 1.00 0.00 H new ATOM 0 HA THR 1 99 9.343 -5.153 -1.060 1.00 0.00 H new ATOM 0 HB THR 1 99 8.068 -7.883 -1.049 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.598 -7.794 1.258 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.206 -8.694 -0.106 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.394 -8.014 -1.740 1.00 0.00 H new ATOM 0 HG23 THR 1 99 10.895 -7.067 -0.319 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.400 -5.147 -3.624 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.722 -5.260 -5.037 1.00 0.00 C ATOM 1270 C PRO 1 100 11.190 -5.615 -5.266 1.00 0.00 C ATOM 1271 O PRO 1 100 11.521 -6.761 -5.573 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.426 -3.858 -5.566 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.383 -2.954 -4.364 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.677 -3.796 -3.147 1.00 0.00 C ATOM 0 HA PRO 1 100 9.157 -6.051 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.196 -3.536 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.477 -3.837 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.116 -2.153 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.405 -2.482 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.710 -3.686 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.042 -3.525 -2.303 1.00 0.00 H new ATOM 1282 N GLY 1 101 12.068 -4.624 -5.105 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.488 -4.852 -5.288 1.00 0.00 C ATOM 1284 C GLY 1 101 14.086 -4.038 -6.421 1.00 0.00 C ATOM 1285 O GLY 1 101 15.289 -3.780 -6.434 1.00 0.00 O ATOM 0 H GLY 1 101 11.817 -3.668 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 14.010 -4.611 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 13.657 -5.911 -5.482 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.256 -3.641 -7.383 1.00 0.00 N ATOM 1290 CA VAL 1 102 13.735 -2.866 -8.525 1.00 0.00 C ATOM 1291 C VAL 1 102 13.124 -1.467 -8.572 1.00 0.00 C ATOM 1292 O VAL 1 102 11.965 -1.270 -8.205 1.00 0.00 O ATOM 1293 CB VAL 1 102 13.432 -3.585 -9.854 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 11.934 -3.612 -10.126 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 14.177 -2.920 -11.002 1.00 0.00 C ATOM 0 H VAL 1 102 12.256 -3.841 -7.395 1.00 0.00 H new ATOM 0 HA VAL 1 102 14.813 -2.771 -8.395 1.00 0.00 H new ATOM 0 HB VAL 1 102 13.778 -4.615 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 11.745 -4.124 -11.069 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 11.427 -4.140 -9.318 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 11.557 -2.591 -10.186 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 13.951 -3.441 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 13.865 -1.879 -11.084 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 15.250 -2.963 -10.813 1.00 0.00 H new ATOM 1305 N LEU 1 103 13.907 -0.506 -9.055 1.00 0.00 N ATOM 1306 CA LEU 1 103 13.440 0.869 -9.187 1.00 0.00 C ATOM 1307 C LEU 1 103 13.962 1.491 -10.478 1.00 0.00 C ATOM 1308 O LEU 1 103 15.112 1.275 -10.862 1.00 0.00 O ATOM 1309 CB LEU 1 103 13.864 1.722 -7.989 1.00 0.00 C ATOM 1310 CG LEU 1 103 13.482 3.202 -8.097 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 12.200 3.484 -7.332 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 14.610 4.088 -7.596 1.00 0.00 C ATOM 0 H LEU 1 103 14.868 -0.655 -9.361 1.00 0.00 H new ATOM 0 HA LEU 1 103 12.351 0.843 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.414 1.308 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 14.945 1.646 -7.869 1.00 0.00 H new ATOM 0 HG LEU 1 103 13.310 3.431 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 11.947 4.540 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 11.391 2.881 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 12.341 3.233 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 14.317 5.134 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 14.820 3.855 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 15.504 3.912 -8.194 1.00 0.00 H new