USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 LYS NZ :NH3+ -176:sc= 1.95 (180deg=1.18) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.42 K(o=4.4,f=-3.1) USER MOD Set 2.1: A 92 GLN : amide:sc= 0 K(o=0.00038,f=-1.4!) USER MOD Set 2.2: A 95 CYS SG : rot 123:sc=0.000378 USER MOD Set 3.1: A 77 SER OG : rot 122:sc= 1.27 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.384 X(o=1.7,f=1.2) USER MOD Set 4.1: A 76 MET CE :methyl 162:sc= -0.0303 (180deg=-0.389) USER MOD Set 4.2: A 84 LYS NZ :NH3+ -139:sc= 1.93 (180deg=0.296) USER MOD Set 5.1: A 55 SER OG : rot 180:sc= 0.011 USER MOD Set 5.2: A 57 THR OG1 : rot -150:sc= 0.975 USER MOD Single : A 56 ASN : amide:sc= 1.04 K(o=1,f=-0.18) USER MOD Single : A 64 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.042) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.13) USER MOD Single : A 66 GLN : amide:sc= 1.11 K(o=1.1,f=-6.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 71 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.71) USER MOD Single : A 74 ASN : amide:sc= 0.794 K(o=0.79,f=-7.9!) USER MOD Single : A 79 HIS : no HD1:sc= -7! K(o=-7!,f=-5.7) USER MOD Single : A 81 CYS SG : rot 62:sc= -0.769 USER MOD Single : A 83 MET CE :methyl 172:sc= -0.243 (180deg=-0.391) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 118:sc= 0.851 USER MOD Single : A 103 HIS : no HD1:sc= 0.856 K(o=0.86,f=-9.1!) USER MOD Single : A 105 HIS : no HD1:sc= -4.82! C(o=-4.8!,f=-5.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.494 USER MOD Single : A 120 SER OG : rot 40:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.654 7.721 2.845 1.00 0.00 N ATOM 2 CA SER A 55 -12.464 7.215 1.484 1.00 0.00 C ATOM 3 C SER A 55 -12.548 5.721 1.470 1.00 0.00 C ATOM 4 O SER A 55 -12.821 5.086 2.486 1.00 0.00 O ATOM 5 CB SER A 55 -11.078 7.621 0.949 1.00 0.00 C ATOM 6 OG SER A 55 -11.053 7.539 -0.473 1.00 0.00 O ATOM 0 HA SER A 55 -13.246 7.642 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.842 8.637 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.313 6.970 1.371 1.00 0.00 H new ATOM 0 HG SER A 55 -10.167 7.801 -0.800 1.00 0.00 H new ATOM 14 N ASN A 56 -12.317 5.132 0.284 1.00 0.00 N ATOM 15 CA ASN A 56 -12.226 3.708 0.168 1.00 0.00 C ATOM 16 C ASN A 56 -11.222 3.439 -0.909 1.00 0.00 C ATOM 17 O ASN A 56 -11.203 2.375 -1.526 1.00 0.00 O ATOM 18 CB ASN A 56 -13.576 3.062 -0.175 1.00 0.00 C ATOM 19 CG ASN A 56 -13.510 1.580 0.179 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.481 1.210 1.352 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.491 0.708 -0.862 1.00 0.00 N ATOM 0 H ASN A 56 -12.193 5.638 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.925 3.272 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.379 3.548 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.798 3.188 -1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.451 -0.296 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.516 1.057 -1.820 1.00 0.00 H new ATOM 28 N THR A 57 -10.315 4.413 -1.121 1.00 0.00 N ATOM 29 CA THR A 57 -9.382 4.322 -2.202 1.00 0.00 C ATOM 30 C THR A 57 -8.034 4.674 -1.656 1.00 0.00 C ATOM 31 O THR A 57 -7.903 5.565 -0.816 1.00 0.00 O ATOM 32 CB THR A 57 -9.707 5.285 -3.356 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.624 6.639 -2.918 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.128 5.125 -3.904 1.00 0.00 C ATOM 0 H THR A 57 -10.229 5.254 -0.550 1.00 0.00 H new ATOM 0 HA THR A 57 -9.423 3.311 -2.606 1.00 0.00 H new ATOM 0 HB THR A 57 -8.979 5.043 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.249 7.189 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.287 5.836 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.261 4.110 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.848 5.315 -3.108 1.00 0.00 H new ATOM 42 N ILE A 58 -6.989 3.973 -2.135 1.00 0.00 N ATOM 43 CA ILE A 58 -5.644 4.347 -1.804 1.00 0.00 C ATOM 44 C ILE A 58 -4.837 4.147 -3.041 1.00 0.00 C ATOM 45 O ILE A 58 -5.219 3.380 -3.924 1.00 0.00 O ATOM 46 CB ILE A 58 -5.007 3.551 -0.652 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.028 2.785 0.196 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.073 4.408 0.234 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.391 1.794 1.176 1.00 0.00 C ATOM 0 H ILE A 58 -7.071 3.158 -2.743 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.664 5.378 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.385 2.804 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.632 3.499 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.705 2.245 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.655 3.789 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.264 4.812 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.640 5.228 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.173 1.288 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.810 1.057 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.736 2.331 1.862 1.00 0.00 H new ATOM 61 N ARG A 59 -3.701 4.861 -3.154 1.00 0.00 N ATOM 62 CA ARG A 59 -2.962 4.826 -4.376 1.00 0.00 C ATOM 63 C ARG A 59 -1.714 4.073 -4.119 1.00 0.00 C ATOM 64 O ARG A 59 -1.014 4.337 -3.156 1.00 0.00 O ATOM 65 CB ARG A 59 -2.628 6.228 -4.859 1.00 0.00 C ATOM 66 CG ARG A 59 -3.866 6.985 -5.333 1.00 0.00 C ATOM 67 CD ARG A 59 -4.087 8.324 -4.621 1.00 0.00 C ATOM 68 NE ARG A 59 -5.534 8.671 -4.755 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.472 8.058 -3.978 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.133 7.474 -2.811 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.787 8.256 -4.220 1.00 0.00 N ATOM 0 H ARG A 59 -3.304 5.447 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.558 4.347 -5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.151 6.784 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.907 6.167 -5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.782 7.164 -6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.744 6.356 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.806 8.250 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.464 9.101 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.823 9.374 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.162 7.487 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.847 7.020 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.079 8.865 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.487 7.797 -3.638 1.00 0.00 H new ATOM 85 N VAL A 60 -1.400 3.131 -5.022 1.00 0.00 N ATOM 86 CA VAL A 60 -0.241 2.309 -4.837 1.00 0.00 C ATOM 87 C VAL A 60 0.757 2.710 -5.869 1.00 0.00 C ATOM 88 O VAL A 60 0.580 2.438 -7.058 1.00 0.00 O ATOM 89 CB VAL A 60 -0.491 0.800 -4.946 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.613 -0.043 -4.295 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.857 0.369 -4.394 1.00 0.00 C ATOM 0 H VAL A 60 -1.936 2.937 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 60 0.105 2.471 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.482 0.607 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.376 -1.101 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.566 0.169 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.682 0.204 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.969 -0.710 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.924 0.637 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.649 0.873 -4.948 1.00 0.00 H new ATOM 101 N PHE A 61 1.855 3.331 -5.404 1.00 0.00 N ATOM 102 CA PHE A 61 2.898 3.765 -6.285 1.00 0.00 C ATOM 103 C PHE A 61 3.857 2.622 -6.407 1.00 0.00 C ATOM 104 O PHE A 61 4.091 1.888 -5.444 1.00 0.00 O ATOM 105 CB PHE A 61 3.676 4.942 -5.674 1.00 0.00 C ATOM 106 CG PHE A 61 2.921 6.202 -5.946 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.640 6.405 -5.415 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.518 7.262 -6.615 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.979 7.607 -5.584 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.860 8.472 -6.766 1.00 0.00 C ATOM 111 CZ PHE A 61 1.591 8.644 -6.257 1.00 0.00 C ATOM 0 H PHE A 61 2.022 3.533 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 61 2.469 4.073 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.799 4.798 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.676 4.999 -6.104 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.161 5.609 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.510 7.142 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.018 7.735 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.345 9.285 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.078 9.586 -6.384 1.00 0.00 H new ATOM 121 N LEU A 62 4.476 2.446 -7.596 1.00 0.00 N ATOM 122 CA LEU A 62 5.455 1.406 -7.727 1.00 0.00 C ATOM 123 C LEU A 62 6.738 1.944 -7.160 1.00 0.00 C ATOM 124 O LEU A 62 6.926 3.157 -7.048 1.00 0.00 O ATOM 125 CB LEU A 62 5.689 0.938 -9.169 1.00 0.00 C ATOM 126 CG LEU A 62 4.707 -0.137 -9.638 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.972 -1.516 -9.027 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.250 0.269 -9.451 1.00 0.00 C ATOM 0 H LEU A 62 4.307 3.001 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 62 5.089 0.528 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.618 1.797 -9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.704 0.551 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 62 4.889 -0.226 -10.709 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.238 -2.228 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.974 -1.848 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.893 -1.454 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.601 -0.533 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.057 0.456 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.048 1.175 -10.023 1.00 0.00 H new ATOM 140 N PRO A 63 7.619 1.002 -6.850 1.00 0.00 N ATOM 141 CA PRO A 63 8.770 1.560 -6.175 1.00 0.00 C ATOM 142 C PRO A 63 9.661 2.063 -7.276 1.00 0.00 C ATOM 143 O PRO A 63 10.380 1.288 -7.903 1.00 0.00 O ATOM 144 CB PRO A 63 9.412 0.400 -5.458 1.00 0.00 C ATOM 145 CG PRO A 63 8.328 -0.663 -5.313 1.00 0.00 C ATOM 146 CD PRO A 63 7.161 -0.206 -6.186 1.00 0.00 C ATOM 0 HA PRO A 63 8.552 2.361 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.261 0.015 -6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.790 0.706 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.694 -1.638 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.019 -0.764 -4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.890 -0.973 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.274 -0.010 -5.583 1.00 0.00 H new ATOM 154 N ASN A 64 9.611 3.393 -7.516 1.00 0.00 N ATOM 155 CA ASN A 64 10.537 4.046 -8.403 1.00 0.00 C ATOM 156 C ASN A 64 9.980 3.992 -9.798 1.00 0.00 C ATOM 157 O ASN A 64 10.662 4.343 -10.760 1.00 0.00 O ATOM 158 CB ASN A 64 11.995 3.540 -8.399 1.00 0.00 C ATOM 159 CG ASN A 64 12.555 3.709 -6.992 1.00 0.00 C ATOM 160 OD1 ASN A 64 12.724 4.827 -6.506 1.00 0.00 O ATOM 161 ND2 ASN A 64 12.849 2.568 -6.314 1.00 0.00 N ATOM 0 H ASN A 64 8.925 4.019 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 64 10.623 5.062 -8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.035 2.493 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.594 4.101 -9.116 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.224 2.620 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.694 1.660 -6.752 1.00 0.00 H new ATOM 168 N LYS A 65 8.699 3.594 -9.943 1.00 0.00 N ATOM 169 CA LYS A 65 8.114 3.526 -11.250 1.00 0.00 C ATOM 170 C LYS A 65 6.810 4.275 -11.223 1.00 0.00 C ATOM 171 O LYS A 65 6.791 5.498 -11.328 1.00 0.00 O ATOM 172 CB LYS A 65 7.889 2.096 -11.761 1.00 0.00 C ATOM 173 CG LYS A 65 9.191 1.321 -11.972 1.00 0.00 C ATOM 174 CD LYS A 65 9.461 0.270 -10.892 1.00 0.00 C ATOM 175 CE LYS A 65 10.951 0.024 -10.651 1.00 0.00 C ATOM 176 NZ LYS A 65 11.135 -0.809 -9.468 1.00 0.00 N ATOM 0 H LYS A 65 8.082 3.326 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 65 8.821 3.977 -11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.264 1.557 -11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.340 2.135 -12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.158 0.830 -12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.023 2.025 -11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.996 0.589 -9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.986 -0.668 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.393 -0.463 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.468 0.974 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.116 -1.153 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.935 -0.249 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.485 -1.620 -9.510 1.00 0.00 H new ATOM 190 N GLN A 66 5.689 3.532 -11.115 1.00 0.00 N ATOM 191 CA GLN A 66 4.417 4.057 -11.517 1.00 0.00 C ATOM 192 C GLN A 66 3.530 4.152 -10.323 1.00 0.00 C ATOM 193 O GLN A 66 3.993 4.325 -9.204 1.00 0.00 O ATOM 194 CB GLN A 66 3.762 3.107 -12.530 1.00 0.00 C ATOM 195 CG GLN A 66 3.943 3.548 -13.981 1.00 0.00 C ATOM 196 CD GLN A 66 2.838 4.538 -14.324 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.045 5.752 -14.308 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.629 4.015 -14.664 1.00 0.00 N ATOM 0 H GLN A 66 5.663 2.579 -10.754 1.00 0.00 H new ATOM 0 HA GLN A 66 4.560 5.039 -11.967 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.183 2.109 -12.406 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.697 3.033 -12.311 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.921 4.009 -14.118 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.901 2.686 -14.647 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.493 3.004 -14.666 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.858 4.634 -14.916 1.00 0.00 H new ATOM 207 N ARG A 67 2.215 4.279 -10.590 1.00 0.00 N ATOM 208 CA ARG A 67 1.254 4.382 -9.538 1.00 0.00 C ATOM 209 C ARG A 67 -0.093 4.136 -10.138 1.00 0.00 C ATOM 210 O ARG A 67 -0.266 4.209 -11.354 1.00 0.00 O ATOM 211 CB ARG A 67 1.224 5.755 -8.869 1.00 0.00 C ATOM 212 CG ARG A 67 1.134 6.925 -9.854 1.00 0.00 C ATOM 213 CD ARG A 67 2.462 7.664 -10.037 1.00 0.00 C ATOM 214 NE ARG A 67 2.951 7.374 -11.417 1.00 0.00 N ATOM 215 CZ ARG A 67 4.223 7.695 -11.781 1.00 0.00 C ATOM 216 NH1 ARG A 67 5.107 8.151 -10.872 1.00 0.00 N ATOM 217 NH2 ARG A 67 4.635 7.467 -13.046 1.00 0.00 N ATOM 0 H ARG A 67 1.821 4.310 -11.530 1.00 0.00 H new ATOM 0 HA ARG A 67 1.526 3.657 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.373 5.799 -8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.122 5.872 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.797 6.552 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.379 7.629 -9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.327 8.736 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.190 7.334 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 67 2.327 6.932 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.826 8.259 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.057 8.388 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.994 7.056 -13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.587 7.706 -13.323 1.00 0.00 H new ATOM 231 N THR A 68 -1.078 3.853 -9.267 1.00 0.00 N ATOM 232 CA THR A 68 -2.441 3.734 -9.695 1.00 0.00 C ATOM 233 C THR A 68 -3.266 3.629 -8.452 1.00 0.00 C ATOM 234 O THR A 68 -2.729 3.476 -7.354 1.00 0.00 O ATOM 235 CB THR A 68 -2.727 2.546 -10.632 1.00 0.00 C ATOM 236 OG1 THR A 68 -4.048 2.631 -11.148 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.511 1.175 -9.988 1.00 0.00 C ATOM 0 H THR A 68 -0.933 3.706 -8.268 1.00 0.00 H new ATOM 0 HA THR A 68 -2.687 4.609 -10.296 1.00 0.00 H new ATOM 0 HB THR A 68 -1.998 2.624 -11.438 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.216 1.871 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.734 0.393 -10.714 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.474 1.085 -9.664 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.171 1.069 -9.127 1.00 0.00 H new ATOM 245 N VAL A 69 -4.603 3.719 -8.591 1.00 0.00 N ATOM 246 CA VAL A 69 -5.451 3.738 -7.435 1.00 0.00 C ATOM 247 C VAL A 69 -6.068 2.384 -7.302 1.00 0.00 C ATOM 248 O VAL A 69 -6.357 1.713 -8.292 1.00 0.00 O ATOM 249 CB VAL A 69 -6.549 4.810 -7.483 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.282 4.881 -8.828 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.539 4.751 -6.304 1.00 0.00 C ATOM 0 H VAL A 69 -5.090 3.778 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.833 3.993 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.000 5.745 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.043 5.660 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.569 5.112 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.756 3.922 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.282 5.541 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.038 3.782 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.998 4.888 -5.368 1.00 0.00 H new ATOM 261 N VAL A 70 -6.287 1.966 -6.042 1.00 0.00 N ATOM 262 CA VAL A 70 -6.885 0.692 -5.779 1.00 0.00 C ATOM 263 C VAL A 70 -7.950 0.911 -4.749 1.00 0.00 C ATOM 264 O VAL A 70 -8.013 1.966 -4.117 1.00 0.00 O ATOM 265 CB VAL A 70 -5.883 -0.344 -5.253 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.802 -0.707 -6.274 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.190 0.066 -3.940 1.00 0.00 C ATOM 0 H VAL A 70 -6.052 2.506 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.282 0.294 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.506 -1.217 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.125 -1.444 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.269 -1.124 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.240 0.188 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.498 -0.718 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.641 0.995 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.940 0.211 -3.163 1.00 0.00 H new ATOM 277 N ASN A 71 -8.808 -0.107 -4.550 1.00 0.00 N ATOM 278 CA ASN A 71 -9.875 0.009 -3.599 1.00 0.00 C ATOM 279 C ASN A 71 -9.688 -1.091 -2.600 1.00 0.00 C ATOM 280 O ASN A 71 -9.175 -2.162 -2.929 1.00 0.00 O ATOM 281 CB ASN A 71 -11.264 -0.181 -4.231 1.00 0.00 C ATOM 282 CG ASN A 71 -11.618 1.082 -5.007 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.361 1.936 -4.523 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.123 1.182 -6.270 1.00 0.00 N ATOM 0 H ASN A 71 -8.766 -1.001 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.838 1.008 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.263 -1.046 -4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.009 -0.372 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.365 1.985 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.510 0.454 -6.637 1.00 0.00 H new ATOM 291 N VAL A 72 -10.144 -0.855 -1.354 1.00 0.00 N ATOM 292 CA VAL A 72 -10.070 -1.872 -0.344 1.00 0.00 C ATOM 293 C VAL A 72 -11.443 -2.461 -0.215 1.00 0.00 C ATOM 294 O VAL A 72 -12.450 -1.780 -0.403 1.00 0.00 O ATOM 295 CB VAL A 72 -9.595 -1.338 1.021 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.620 -0.453 1.738 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.194 -2.431 2.021 1.00 0.00 C ATOM 0 H VAL A 72 -10.558 0.025 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.331 -2.615 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.722 -0.751 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.209 -0.118 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.850 0.413 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.531 -1.023 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.872 -1.970 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.048 -3.080 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.376 -3.020 1.607 1.00 0.00 H new ATOM 307 N ARG A 73 -11.517 -3.776 0.069 1.00 0.00 N ATOM 308 CA ARG A 73 -12.791 -4.401 0.270 1.00 0.00 C ATOM 309 C ARG A 73 -13.051 -4.406 1.745 1.00 0.00 C ATOM 310 O ARG A 73 -12.358 -3.747 2.521 1.00 0.00 O ATOM 311 CB ARG A 73 -12.866 -5.834 -0.282 1.00 0.00 C ATOM 312 CG ARG A 73 -14.196 -6.158 -0.974 1.00 0.00 C ATOM 313 CD ARG A 73 -14.889 -7.405 -0.415 1.00 0.00 C ATOM 314 NE ARG A 73 -15.831 -7.908 -1.459 1.00 0.00 N ATOM 315 CZ ARG A 73 -17.010 -7.271 -1.703 1.00 0.00 C ATOM 316 NH1 ARG A 73 -17.471 -6.312 -0.874 1.00 0.00 N ATOM 317 NH2 ARG A 73 -17.804 -7.688 -2.715 1.00 0.00 N ATOM 0 H ARG A 73 -10.712 -4.396 0.158 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.545 -3.836 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.052 -5.984 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.711 -6.538 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.866 -5.304 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.017 -6.299 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.155 -8.170 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.427 -7.165 0.502 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.588 -8.740 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.934 -6.052 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.356 -5.847 -1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.520 -8.478 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.687 -7.212 -2.899 1.00 0.00 H new ATOM 331 N ASN A 74 -14.055 -5.185 2.188 1.00 0.00 N ATOM 332 CA ASN A 74 -14.441 -5.151 3.568 1.00 0.00 C ATOM 333 C ASN A 74 -13.517 -6.056 4.322 1.00 0.00 C ATOM 334 O ASN A 74 -13.648 -7.278 4.288 1.00 0.00 O ATOM 335 CB ASN A 74 -15.878 -5.615 3.831 1.00 0.00 C ATOM 336 CG ASN A 74 -16.774 -5.051 2.736 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.904 -5.635 1.659 1.00 0.00 O ATOM 338 ND2 ASN A 74 -17.380 -3.860 2.989 1.00 0.00 N ATOM 0 H ASN A 74 -14.592 -5.827 1.605 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.384 -4.111 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.929 -6.704 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.214 -5.272 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.964 -3.423 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.251 -3.404 3.892 1.00 0.00 H new ATOM 345 N GLY A 75 -12.531 -5.449 5.007 1.00 0.00 N ATOM 346 CA GLY A 75 -11.695 -6.185 5.912 1.00 0.00 C ATOM 347 C GLY A 75 -10.547 -6.747 5.135 1.00 0.00 C ATOM 348 O GLY A 75 -10.063 -7.837 5.432 1.00 0.00 O ATOM 0 H GLY A 75 -12.311 -4.455 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.333 -5.535 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.261 -6.986 6.387 1.00 0.00 H new ATOM 352 N MET A 76 -10.039 -5.987 4.143 1.00 0.00 N ATOM 353 CA MET A 76 -8.903 -6.446 3.403 1.00 0.00 C ATOM 354 C MET A 76 -7.676 -6.003 4.120 1.00 0.00 C ATOM 355 O MET A 76 -7.637 -4.937 4.733 1.00 0.00 O ATOM 356 CB MET A 76 -8.836 -5.938 1.961 1.00 0.00 C ATOM 357 CG MET A 76 -9.700 -6.760 1.007 1.00 0.00 C ATOM 358 SD MET A 76 -9.264 -6.371 -0.717 1.00 0.00 S ATOM 359 CE MET A 76 -9.987 -7.821 -1.549 1.00 0.00 C ATOM 0 H MET A 76 -10.404 -5.078 3.860 1.00 0.00 H new ATOM 0 HA MET A 76 -8.988 -7.531 3.339 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.158 -4.897 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.801 -5.961 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.555 -7.824 1.197 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.754 -6.546 1.182 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.102 -7.610 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.330 -8.681 -1.419 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.962 -8.041 -1.115 1.00 0.00 H new ATOM 369 N SER A 77 -6.612 -6.806 3.971 1.00 0.00 N ATOM 370 CA SER A 77 -5.368 -6.511 4.612 1.00 0.00 C ATOM 371 C SER A 77 -4.443 -6.048 3.563 1.00 0.00 C ATOM 372 O SER A 77 -4.516 -6.542 2.469 1.00 0.00 O ATOM 373 CB SER A 77 -4.667 -7.766 5.099 1.00 0.00 C ATOM 374 OG SER A 77 -5.558 -8.582 5.845 1.00 0.00 O ATOM 0 H SER A 77 -6.610 -7.657 3.409 1.00 0.00 H new ATOM 0 HA SER A 77 -5.581 -5.816 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.280 -8.326 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.811 -7.494 5.717 1.00 0.00 H new ATOM 0 HG SER A 77 -5.612 -9.469 5.432 1.00 0.00 H new ATOM 380 N LEU A 78 -3.308 -5.474 3.996 1.00 0.00 N ATOM 381 CA LEU A 78 -2.284 -5.036 3.092 1.00 0.00 C ATOM 382 C LEU A 78 -1.892 -6.185 2.195 1.00 0.00 C ATOM 383 O LEU A 78 -1.965 -6.091 0.983 1.00 0.00 O ATOM 384 CB LEU A 78 -1.062 -4.580 3.889 1.00 0.00 C ATOM 385 CG LEU A 78 -0.937 -3.063 4.009 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.701 -2.375 2.709 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.238 -2.352 4.345 1.00 0.00 C ATOM 0 H LEU A 78 -3.095 -5.311 4.980 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.657 -4.207 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.110 -5.012 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.163 -4.973 3.415 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.143 -2.998 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.623 -1.301 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.225 -2.742 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.532 -2.579 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.059 -1.279 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.973 -2.550 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.616 -2.717 5.300 1.00 0.00 H new ATOM 399 N HIS A 79 -1.564 -7.351 2.780 1.00 0.00 N ATOM 400 CA HIS A 79 -0.977 -8.422 2.016 1.00 0.00 C ATOM 401 C HIS A 79 -2.065 -9.126 1.242 1.00 0.00 C ATOM 402 O HIS A 79 -1.789 -10.026 0.461 1.00 0.00 O ATOM 403 CB HIS A 79 -0.324 -9.492 2.908 1.00 0.00 C ATOM 404 CG HIS A 79 1.162 -9.611 2.722 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.785 -9.341 1.533 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.118 -10.017 3.582 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.090 -9.507 1.701 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.313 -9.959 2.922 1.00 0.00 N ATOM 0 H HIS A 79 -1.701 -7.557 3.770 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.220 -7.972 1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.533 -9.258 3.952 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.786 -10.457 2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.967 -10.330 4.604 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.848 -9.305 0.959 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.221 -10.220 3.306 1.00 0.00 H new ATOM 417 N ASP A 80 -3.344 -8.812 1.517 1.00 0.00 N ATOM 418 CA ASP A 80 -4.419 -9.433 0.795 1.00 0.00 C ATOM 419 C ASP A 80 -4.932 -8.425 -0.189 1.00 0.00 C ATOM 420 O ASP A 80 -5.557 -8.773 -1.188 1.00 0.00 O ATOM 421 CB ASP A 80 -5.599 -9.784 1.714 1.00 0.00 C ATOM 422 CG ASP A 80 -5.111 -10.757 2.778 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.594 -11.840 2.401 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.288 -10.441 3.988 1.00 0.00 O ATOM 0 H ASP A 80 -3.634 -8.140 2.227 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.042 -10.345 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.998 -8.883 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.409 -10.229 1.137 1.00 0.00 H new ATOM 429 N CYS A 81 -4.648 -7.141 0.086 1.00 0.00 N ATOM 430 CA CYS A 81 -5.282 -6.067 -0.616 1.00 0.00 C ATOM 431 C CYS A 81 -4.288 -5.536 -1.612 1.00 0.00 C ATOM 432 O CYS A 81 -4.651 -4.949 -2.630 1.00 0.00 O ATOM 433 CB CYS A 81 -5.650 -4.958 0.389 1.00 0.00 C ATOM 434 SG CYS A 81 -6.848 -3.812 -0.366 1.00 0.00 S ATOM 0 H CYS A 81 -3.978 -6.844 0.796 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.188 -6.404 -1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.074 -5.399 1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.754 -4.415 0.690 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.942 -4.454 -0.652 1.00 0.00 H new ATOM 440 N LEU A 82 -2.993 -5.781 -1.345 1.00 0.00 N ATOM 441 CA LEU A 82 -1.943 -5.269 -2.179 1.00 0.00 C ATOM 442 C LEU A 82 -1.541 -6.361 -3.079 1.00 0.00 C ATOM 443 O LEU A 82 -1.212 -6.140 -4.232 1.00 0.00 O ATOM 444 CB LEU A 82 -0.692 -4.998 -1.352 1.00 0.00 C ATOM 445 CG LEU A 82 -0.777 -3.733 -0.507 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.156 -2.620 -0.991 1.00 0.00 C ATOM 447 CD2 LEU A 82 -2.183 -3.137 -0.429 1.00 0.00 C ATOM 0 H LEU A 82 -2.670 -6.334 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.298 -4.368 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.509 -5.850 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.165 -4.920 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.471 -4.078 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.047 -1.748 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.188 -2.970 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.101 -2.349 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.164 -2.239 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.525 -2.880 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.863 -3.866 0.011 1.00 0.00 H new ATOM 459 N MET A 83 -1.506 -7.575 -2.517 1.00 0.00 N ATOM 460 CA MET A 83 -1.175 -8.752 -3.259 1.00 0.00 C ATOM 461 C MET A 83 -2.164 -8.888 -4.369 1.00 0.00 C ATOM 462 O MET A 83 -1.879 -9.564 -5.340 1.00 0.00 O ATOM 463 CB MET A 83 -1.386 -9.897 -2.279 1.00 0.00 C ATOM 464 CG MET A 83 -1.565 -11.269 -2.922 1.00 0.00 C ATOM 465 SD MET A 83 0.041 -11.877 -3.532 1.00 0.00 S ATOM 466 CE MET A 83 0.796 -12.375 -1.951 1.00 0.00 C ATOM 0 H MET A 83 -1.710 -7.747 -1.533 1.00 0.00 H new ATOM 0 HA MET A 83 -0.165 -8.732 -3.669 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.533 -9.938 -1.602 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.265 -9.679 -1.672 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.978 -11.970 -2.197 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.277 -11.205 -3.745 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.730 -12.903 -2.144 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.998 -11.489 -1.349 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.113 -13.032 -1.412 1.00 0.00 H new ATOM 476 N LYS A 84 -3.328 -8.239 -4.205 1.00 0.00 N ATOM 477 CA LYS A 84 -4.314 -8.199 -5.230 1.00 0.00 C ATOM 478 C LYS A 84 -3.936 -7.113 -6.212 1.00 0.00 C ATOM 479 O LYS A 84 -4.102 -7.271 -7.418 1.00 0.00 O ATOM 480 CB LYS A 84 -5.598 -7.900 -4.495 1.00 0.00 C ATOM 481 CG LYS A 84 -6.411 -6.762 -5.078 1.00 0.00 C ATOM 482 CD LYS A 84 -7.432 -6.252 -4.086 1.00 0.00 C ATOM 483 CE LYS A 84 -8.544 -5.435 -4.741 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.417 -4.866 -3.719 1.00 0.00 N ATOM 0 H LYS A 84 -3.585 -7.739 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.410 -9.118 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.213 -8.800 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.361 -7.665 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.746 -5.949 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.917 -7.100 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.873 -7.098 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.929 -5.638 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.112 -4.638 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.123 -6.068 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.407 -4.940 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.293 -5.387 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.174 -3.866 -3.572 1.00 0.00 H new ATOM 498 N ALA A 85 -3.410 -5.975 -5.704 1.00 0.00 N ATOM 499 CA ALA A 85 -3.111 -4.851 -6.558 1.00 0.00 C ATOM 500 C ALA A 85 -1.936 -5.200 -7.408 1.00 0.00 C ATOM 501 O ALA A 85 -1.931 -4.867 -8.577 1.00 0.00 O ATOM 502 CB ALA A 85 -2.645 -3.730 -5.608 1.00 0.00 C ATOM 0 H ALA A 85 -3.194 -5.832 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.965 -4.574 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.399 -2.840 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.443 -3.495 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.763 -4.061 -5.060 1.00 0.00 H new ATOM 508 N LEU A 86 -0.917 -5.817 -6.786 1.00 0.00 N ATOM 509 CA LEU A 86 0.359 -6.015 -7.415 1.00 0.00 C ATOM 510 C LEU A 86 0.290 -7.294 -8.139 1.00 0.00 C ATOM 511 O LEU A 86 1.131 -7.579 -8.977 1.00 0.00 O ATOM 512 CB LEU A 86 1.376 -6.207 -6.313 1.00 0.00 C ATOM 513 CG LEU A 86 1.414 -5.018 -5.362 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.616 -5.402 -3.932 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.173 -3.823 -5.919 1.00 0.00 C ATOM 0 H LEU A 86 -0.975 -6.184 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 86 0.614 -5.182 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.139 -7.112 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.363 -6.353 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 86 0.408 -4.602 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.633 -4.505 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.800 -6.050 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.563 -5.932 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.161 -3.012 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.204 -4.111 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.699 -3.489 -6.842 1.00 0.00 H new ATOM 527 N LYS A 87 -0.681 -8.121 -7.737 1.00 0.00 N ATOM 528 CA LYS A 87 -0.983 -9.336 -8.449 1.00 0.00 C ATOM 529 C LYS A 87 -1.255 -8.974 -9.882 1.00 0.00 C ATOM 530 O LYS A 87 -0.775 -9.632 -10.803 1.00 0.00 O ATOM 531 CB LYS A 87 -2.311 -9.916 -7.959 1.00 0.00 C ATOM 532 CG LYS A 87 -2.244 -11.402 -7.627 1.00 0.00 C ATOM 533 CD LYS A 87 -2.830 -12.287 -8.729 1.00 0.00 C ATOM 534 CE LYS A 87 -2.771 -13.782 -8.408 1.00 0.00 C ATOM 535 NZ LYS A 87 -3.346 -14.552 -9.506 1.00 0.00 N ATOM 0 H LYS A 87 -1.265 -7.957 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.155 -10.032 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.632 -9.369 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.071 -9.757 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.205 -11.684 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.782 -11.586 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.868 -12.001 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.291 -12.101 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.738 -14.086 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.315 -13.986 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.302 -15.566 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.338 -14.271 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.809 -14.368 -10.377 1.00 0.00 H new ATOM 549 N VAL A 88 -2.058 -7.908 -10.049 1.00 0.00 N ATOM 550 CA VAL A 88 -2.513 -7.460 -11.337 1.00 0.00 C ATOM 551 C VAL A 88 -1.313 -6.999 -12.133 1.00 0.00 C ATOM 552 O VAL A 88 -1.339 -6.964 -13.362 1.00 0.00 O ATOM 553 CB VAL A 88 -3.448 -6.263 -11.101 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.624 -5.336 -12.306 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.786 -6.647 -10.477 1.00 0.00 C ATOM 0 H VAL A 88 -2.401 -7.341 -9.273 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.030 -8.255 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.913 -5.670 -10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.300 -4.522 -12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.656 -4.925 -12.593 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.041 -5.899 -13.141 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.393 -5.752 -10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.308 -7.343 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.614 -7.121 -9.511 1.00 0.00 H new ATOM 565 N ARG A 89 -0.223 -6.659 -11.426 1.00 0.00 N ATOM 566 CA ARG A 89 0.896 -6.002 -12.035 1.00 0.00 C ATOM 567 C ARG A 89 1.955 -7.035 -12.259 1.00 0.00 C ATOM 568 O ARG A 89 2.687 -6.991 -13.246 1.00 0.00 O ATOM 569 CB ARG A 89 1.395 -4.931 -11.069 1.00 0.00 C ATOM 570 CG ARG A 89 0.240 -4.210 -10.380 1.00 0.00 C ATOM 571 CD ARG A 89 0.627 -2.896 -9.707 1.00 0.00 C ATOM 572 NE ARG A 89 -0.594 -2.404 -9.000 1.00 0.00 N ATOM 573 CZ ARG A 89 -0.608 -1.203 -8.362 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.469 -0.394 -8.379 1.00 0.00 N ATOM 575 NH2 ARG A 89 -1.723 -0.803 -7.713 1.00 0.00 N ATOM 0 H ARG A 89 -0.113 -6.839 -10.428 1.00 0.00 H new ATOM 0 HA ARG A 89 0.631 -5.535 -12.984 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.038 -5.390 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.004 -4.208 -11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.539 -4.011 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.192 -4.874 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.447 -3.047 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.968 -2.169 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.435 -2.981 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.313 -0.679 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.440 0.503 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.549 -1.401 -7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.739 0.097 -7.233 1.00 0.00 H new ATOM 589 N GLY A 90 2.053 -7.986 -11.313 1.00 0.00 N ATOM 590 CA GLY A 90 2.976 -9.079 -11.440 1.00 0.00 C ATOM 591 C GLY A 90 4.116 -8.817 -10.508 1.00 0.00 C ATOM 592 O GLY A 90 5.258 -9.171 -10.797 1.00 0.00 O ATOM 0 H GLY A 90 1.495 -8.001 -10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.489 -10.022 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.332 -9.163 -12.467 1.00 0.00 H new ATOM 596 N LEU A 91 3.825 -8.200 -9.345 1.00 0.00 N ATOM 597 CA LEU A 91 4.872 -7.822 -8.440 1.00 0.00 C ATOM 598 C LEU A 91 4.716 -8.653 -7.201 1.00 0.00 C ATOM 599 O LEU A 91 3.678 -9.275 -6.976 1.00 0.00 O ATOM 600 CB LEU A 91 4.781 -6.343 -8.028 1.00 0.00 C ATOM 601 CG LEU A 91 5.356 -5.356 -9.054 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.489 -4.490 -8.489 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.816 -6.004 -10.367 1.00 0.00 C ATOM 0 H LEU A 91 2.882 -7.966 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 91 5.830 -7.977 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.735 -6.093 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.306 -6.210 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 91 4.506 -4.715 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.852 -3.814 -9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.117 -3.908 -7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.305 -5.131 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.208 -5.236 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.596 -6.736 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.971 -6.501 -10.843 1.00 0.00 H new ATOM 615 N GLN A 92 5.753 -8.637 -6.338 1.00 0.00 N ATOM 616 CA GLN A 92 5.727 -9.422 -5.138 1.00 0.00 C ATOM 617 C GLN A 92 5.608 -8.466 -3.981 1.00 0.00 C ATOM 618 O GLN A 92 6.236 -7.406 -3.960 1.00 0.00 O ATOM 619 CB GLN A 92 7.005 -10.250 -4.944 1.00 0.00 C ATOM 620 CG GLN A 92 7.360 -11.115 -6.160 1.00 0.00 C ATOM 621 CD GLN A 92 8.558 -11.985 -5.789 1.00 0.00 C ATOM 622 OE1 GLN A 92 9.144 -11.841 -4.716 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.969 -12.927 -6.694 1.00 0.00 N ATOM 0 H GLN A 92 6.601 -8.086 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 92 4.891 -10.119 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.836 -9.578 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.884 -10.893 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.512 -11.737 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.597 -10.486 -7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.473 -13.035 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.771 -13.521 -6.483 1.00 0.00 H new ATOM 632 N PRO A 93 4.863 -8.928 -2.985 1.00 0.00 N ATOM 633 CA PRO A 93 4.705 -7.933 -1.943 1.00 0.00 C ATOM 634 C PRO A 93 5.536 -8.441 -0.793 1.00 0.00 C ATOM 635 O PRO A 93 5.961 -7.667 0.060 1.00 0.00 O ATOM 636 CB PRO A 93 3.252 -8.020 -1.529 1.00 0.00 C ATOM 637 CG PRO A 93 2.761 -9.377 -2.008 1.00 0.00 C ATOM 638 CD PRO A 93 3.665 -9.729 -3.180 1.00 0.00 C ATOM 0 HA PRO A 93 4.985 -6.922 -2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.148 -7.927 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.670 -7.214 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.830 -10.124 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.716 -9.333 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.900 -10.793 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.186 -9.498 -4.131 1.00 0.00 H new ATOM 646 N GLU A 94 5.811 -9.764 -0.740 1.00 0.00 N ATOM 647 CA GLU A 94 6.293 -10.367 0.475 1.00 0.00 C ATOM 648 C GLU A 94 7.723 -9.954 0.688 1.00 0.00 C ATOM 649 O GLU A 94 8.246 -10.054 1.796 1.00 0.00 O ATOM 650 CB GLU A 94 6.244 -11.903 0.471 1.00 0.00 C ATOM 651 CG GLU A 94 4.862 -12.474 0.124 1.00 0.00 C ATOM 652 CD GLU A 94 4.847 -12.838 -1.356 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.387 -12.038 -2.169 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.263 -13.898 -1.697 1.00 0.00 O ATOM 0 H GLU A 94 5.702 -10.407 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 94 5.633 -10.022 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.974 -12.279 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.543 -12.270 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.652 -13.354 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.084 -11.742 0.342 1.00 0.00 H new ATOM 661 N CYS A 95 8.394 -9.471 -0.374 1.00 0.00 N ATOM 662 CA CYS A 95 9.784 -9.140 -0.263 1.00 0.00 C ATOM 663 C CYS A 95 9.893 -7.646 -0.182 1.00 0.00 C ATOM 664 O CYS A 95 10.982 -7.085 -0.290 1.00 0.00 O ATOM 665 CB CYS A 95 10.583 -9.596 -1.489 1.00 0.00 C ATOM 666 SG CYS A 95 10.729 -11.412 -1.482 1.00 0.00 S ATOM 0 H CYS A 95 7.985 -9.311 -1.294 1.00 0.00 H new ATOM 0 HA CYS A 95 10.186 -9.640 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.088 -9.264 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.574 -9.141 -1.480 1.00 0.00 H new ATOM 0 HG CYS A 95 10.236 -11.891 -2.585 1.00 0.00 H new ATOM 672 N CYS A 96 8.758 -6.960 0.048 1.00 0.00 N ATOM 673 CA CYS A 96 8.757 -5.530 -0.009 1.00 0.00 C ATOM 674 C CYS A 96 8.158 -5.023 1.268 1.00 0.00 C ATOM 675 O CYS A 96 7.605 -5.786 2.061 1.00 0.00 O ATOM 676 CB CYS A 96 7.881 -5.015 -1.154 1.00 0.00 C ATOM 677 SG CYS A 96 8.551 -5.589 -2.750 1.00 0.00 S ATOM 0 H CYS A 96 7.857 -7.385 0.269 1.00 0.00 H new ATOM 0 HA CYS A 96 9.781 -5.188 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.858 -5.370 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.845 -3.926 -1.135 1.00 0.00 H new ATOM 0 HG CYS A 96 7.678 -6.352 -3.338 1.00 0.00 H new ATOM 683 N ALA A 97 8.278 -3.698 1.486 1.00 0.00 N ATOM 684 CA ALA A 97 7.620 -3.056 2.588 1.00 0.00 C ATOM 685 C ALA A 97 6.702 -2.042 1.999 1.00 0.00 C ATOM 686 O ALA A 97 7.058 -1.337 1.057 1.00 0.00 O ATOM 687 CB ALA A 97 8.503 -2.312 3.612 1.00 0.00 C ATOM 0 H ALA A 97 8.830 -3.071 0.900 1.00 0.00 H new ATOM 0 HA ALA A 97 7.153 -3.863 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.873 -1.877 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.204 -3.013 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.057 -1.520 3.108 1.00 0.00 H new ATOM 693 N VAL A 98 5.488 -1.942 2.565 1.00 0.00 N ATOM 694 CA VAL A 98 4.574 -0.911 2.172 1.00 0.00 C ATOM 695 C VAL A 98 4.857 0.274 3.019 1.00 0.00 C ATOM 696 O VAL A 98 5.461 0.172 4.087 1.00 0.00 O ATOM 697 CB VAL A 98 3.087 -1.220 2.402 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.189 -0.879 1.207 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.839 -2.613 2.916 1.00 0.00 C ATOM 0 H VAL A 98 5.138 -2.569 3.290 1.00 0.00 H new ATOM 0 HA VAL A 98 4.724 -0.779 1.100 1.00 0.00 H new ATOM 0 HB VAL A 98 2.792 -0.539 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.155 -1.126 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.266 0.186 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.507 -1.454 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.769 -2.764 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.217 -3.339 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.352 -2.746 3.868 1.00 0.00 H new ATOM 709 N PHE A 99 4.258 1.401 2.624 1.00 0.00 N ATOM 710 CA PHE A 99 4.455 2.629 3.319 1.00 0.00 C ATOM 711 C PHE A 99 3.297 3.496 2.990 1.00 0.00 C ATOM 712 O PHE A 99 2.637 3.315 1.967 1.00 0.00 O ATOM 713 CB PHE A 99 5.669 3.409 2.813 1.00 0.00 C ATOM 714 CG PHE A 99 6.896 2.750 3.334 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.539 1.766 2.603 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.502 3.173 4.519 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.827 1.395 2.919 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.798 2.837 4.808 1.00 0.00 C ATOM 719 CZ PHE A 99 9.488 2.030 3.947 1.00 0.00 C ATOM 0 H PHE A 99 3.634 1.465 1.820 1.00 0.00 H new ATOM 0 HA PHE A 99 4.582 2.393 4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.681 3.428 1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.622 4.445 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.028 1.287 1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.940 3.774 5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.317 0.609 2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.270 3.206 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.552 1.890 4.073 1.00 0.00 H new ATOM 729 N ARG A 100 3.086 4.510 3.839 1.00 0.00 N ATOM 730 CA ARG A 100 2.259 5.605 3.478 1.00 0.00 C ATOM 731 C ARG A 100 3.184 6.765 3.318 1.00 0.00 C ATOM 732 O ARG A 100 4.195 6.865 4.015 1.00 0.00 O ATOM 733 CB ARG A 100 1.204 5.823 4.547 1.00 0.00 C ATOM 734 CG ARG A 100 0.883 7.283 4.841 1.00 0.00 C ATOM 735 CD ARG A 100 -0.108 7.428 5.994 1.00 0.00 C ATOM 736 NE ARG A 100 -0.756 8.769 5.895 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.193 9.878 6.447 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.932 9.794 7.182 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.799 11.075 6.290 1.00 0.00 N ATOM 0 H ARG A 100 3.489 4.570 4.774 1.00 0.00 H new ATOM 0 HA ARG A 100 1.707 5.443 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.287 5.319 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.537 5.346 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.803 7.815 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.471 7.751 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.860 6.640 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.405 7.325 6.950 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.644 8.856 5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.376 8.888 7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.340 10.636 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.669 11.141 5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.386 11.913 6.699 1.00 0.00 H new ATOM 753 N LEU A 101 2.901 7.621 2.329 1.00 0.00 N ATOM 754 CA LEU A 101 3.873 8.571 1.875 1.00 0.00 C ATOM 755 C LEU A 101 3.962 9.666 2.889 1.00 0.00 C ATOM 756 O LEU A 101 3.184 9.739 3.841 1.00 0.00 O ATOM 757 CB LEU A 101 3.473 9.212 0.536 1.00 0.00 C ATOM 758 CG LEU A 101 3.493 8.231 -0.637 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.187 8.887 -1.989 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.805 7.455 -0.744 1.00 0.00 C ATOM 0 H LEU A 101 2.006 7.661 1.842 1.00 0.00 H new ATOM 0 HA LEU A 101 4.820 8.047 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.473 9.635 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.150 10.038 0.321 1.00 0.00 H new ATOM 0 HG LEU A 101 2.689 7.532 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.218 8.132 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.195 9.338 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.930 9.657 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.758 6.776 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.630 8.153 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.964 6.882 0.169 1.00 0.00 H new ATOM 772 N LEU A 102 4.936 10.568 2.680 1.00 0.00 N ATOM 773 CA LEU A 102 5.227 11.573 3.645 1.00 0.00 C ATOM 774 C LEU A 102 4.268 12.707 3.463 1.00 0.00 C ATOM 775 O LEU A 102 4.328 13.462 2.495 1.00 0.00 O ATOM 776 CB LEU A 102 6.683 12.034 3.620 1.00 0.00 C ATOM 777 CG LEU A 102 7.105 12.764 2.338 1.00 0.00 C ATOM 778 CD1 LEU A 102 8.596 13.101 2.321 1.00 0.00 C ATOM 779 CD2 LEU A 102 6.776 11.996 1.055 1.00 0.00 C ATOM 0 H LEU A 102 5.519 10.599 1.844 1.00 0.00 H new ATOM 0 HA LEU A 102 5.096 11.143 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.855 12.694 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.327 11.165 3.755 1.00 0.00 H new ATOM 0 HG LEU A 102 6.517 13.681 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.842 13.616 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.833 13.745 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.178 12.182 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.104 12.574 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.290 11.035 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.700 11.832 0.995 1.00 0.00 H new ATOM 791 N HIS A 103 3.336 12.841 4.423 1.00 0.00 N ATOM 792 CA HIS A 103 2.503 14.004 4.477 1.00 0.00 C ATOM 793 C HIS A 103 2.805 14.692 5.776 1.00 0.00 C ATOM 794 O HIS A 103 2.361 15.811 6.019 1.00 0.00 O ATOM 795 CB HIS A 103 1.004 13.679 4.411 1.00 0.00 C ATOM 796 CG HIS A 103 0.650 12.753 3.284 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.201 11.479 3.503 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.517 12.993 1.959 1.00 0.00 C ATOM 799 CE1 HIS A 103 -0.186 10.964 2.346 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.006 11.863 1.392 1.00 0.00 N ATOM 0 H HIS A 103 3.159 12.153 5.155 1.00 0.00 H new ATOM 0 HA HIS A 103 2.717 14.629 3.610 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.694 13.228 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.442 14.606 4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.776 13.907 1.445 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -0.584 9.970 2.204 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.220 11.735 0.403 1.00 0.00 H new ATOM 809 N GLU A 104 3.587 14.018 6.648 1.00 0.00 N ATOM 810 CA GLU A 104 3.975 14.611 7.896 1.00 0.00 C ATOM 811 C GLU A 104 5.380 14.165 8.186 1.00 0.00 C ATOM 812 O GLU A 104 5.801 14.107 9.340 1.00 0.00 O ATOM 813 CB GLU A 104 3.109 14.185 9.097 1.00 0.00 C ATOM 814 CG GLU A 104 1.599 14.338 8.865 1.00 0.00 C ATOM 815 CD GLU A 104 1.080 13.087 8.163 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.774 12.030 8.195 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.025 13.152 7.564 1.00 0.00 O ATOM 0 H GLU A 104 3.946 13.076 6.491 1.00 0.00 H new ATOM 0 HA GLU A 104 3.863 15.689 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.326 13.144 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.394 14.778 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.084 14.479 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.398 15.222 8.259 1.00 0.00 H new ATOM 824 N HIS A 105 6.128 13.769 7.138 1.00 0.00 N ATOM 825 CA HIS A 105 7.484 13.338 7.337 1.00 0.00 C ATOM 826 C HIS A 105 8.310 14.010 6.289 1.00 0.00 C ATOM 827 O HIS A 105 7.780 14.631 5.369 1.00 0.00 O ATOM 828 CB HIS A 105 7.711 11.811 7.244 1.00 0.00 C ATOM 829 CG HIS A 105 6.441 11.010 7.274 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.549 11.079 8.309 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.951 10.121 6.390 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.505 10.321 8.009 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.720 9.736 6.841 1.00 0.00 N ATOM 0 H HIS A 105 5.805 13.746 6.171 1.00 0.00 H new ATOM 0 HA HIS A 105 7.761 13.607 8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.249 11.588 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.349 11.496 8.070 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.440 9.776 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.622 10.200 8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.077 9.106 6.361 1.00 0.00 H new ATOM 842 N LYS A 106 9.647 13.903 6.410 1.00 0.00 N ATOM 843 CA LYS A 106 10.505 14.502 5.439 1.00 0.00 C ATOM 844 C LYS A 106 11.503 13.464 5.040 1.00 0.00 C ATOM 845 O LYS A 106 12.168 12.866 5.884 1.00 0.00 O ATOM 846 CB LYS A 106 11.254 15.692 6.036 1.00 0.00 C ATOM 847 CG LYS A 106 12.236 16.358 5.071 1.00 0.00 C ATOM 848 CD LYS A 106 11.559 17.264 4.037 1.00 0.00 C ATOM 849 CE LYS A 106 12.523 17.811 2.981 1.00 0.00 C ATOM 850 NZ LYS A 106 11.807 18.683 2.054 1.00 0.00 N ATOM 0 H LYS A 106 10.125 13.411 7.165 1.00 0.00 H new ATOM 0 HA LYS A 106 9.918 14.855 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.529 16.434 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.799 15.359 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.953 16.946 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.802 15.585 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.766 16.705 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.085 18.099 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.329 18.364 3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.984 16.987 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.469 19.050 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.053 18.144 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.388 19.477 2.578 1.00 0.00 H new ATOM 864 N GLY A 107 11.586 13.191 3.725 1.00 0.00 N ATOM 865 CA GLY A 107 12.644 12.367 3.215 1.00 0.00 C ATOM 866 C GLY A 107 12.104 10.986 3.007 1.00 0.00 C ATOM 867 O GLY A 107 12.296 10.389 1.949 1.00 0.00 O ATOM 0 H GLY A 107 10.932 13.534 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.022 12.772 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.480 12.347 3.914 1.00 0.00 H new ATOM 871 N LYS A 108 11.452 10.418 4.041 1.00 0.00 N ATOM 872 CA LYS A 108 11.162 9.017 4.022 1.00 0.00 C ATOM 873 C LYS A 108 9.677 8.856 3.916 1.00 0.00 C ATOM 874 O LYS A 108 8.990 9.637 3.263 1.00 0.00 O ATOM 875 CB LYS A 108 11.636 8.325 5.307 1.00 0.00 C ATOM 876 CG LYS A 108 13.123 8.538 5.606 1.00 0.00 C ATOM 877 CD LYS A 108 14.047 8.074 4.476 1.00 0.00 C ATOM 878 CE LYS A 108 15.532 8.172 4.828 1.00 0.00 C ATOM 879 NZ LYS A 108 16.345 7.787 3.679 1.00 0.00 N ATOM 0 H LYS A 108 11.132 10.916 4.872 1.00 0.00 H new ATOM 0 HA LYS A 108 11.681 8.562 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.048 8.695 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.440 7.256 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.299 9.597 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.382 8.002 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.809 7.041 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.851 8.674 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.776 9.190 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.756 7.525 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.352 7.857 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.122 6.808 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.141 8.422 2.881 1.00 0.00 H new ATOM 893 N LYS A 109 9.167 7.791 4.557 1.00 0.00 N ATOM 894 CA LYS A 109 7.792 7.428 4.438 1.00 0.00 C ATOM 895 C LYS A 109 7.414 6.795 5.739 1.00 0.00 C ATOM 896 O LYS A 109 8.276 6.468 6.554 1.00 0.00 O ATOM 897 CB LYS A 109 7.632 6.403 3.316 1.00 0.00 C ATOM 898 CG LYS A 109 7.679 6.987 1.909 1.00 0.00 C ATOM 899 CD LYS A 109 7.170 6.007 0.856 1.00 0.00 C ATOM 900 CE LYS A 109 8.071 4.781 0.685 1.00 0.00 C ATOM 901 NZ LYS A 109 9.290 5.154 -0.025 1.00 0.00 N ATOM 0 H LYS A 109 9.713 7.177 5.162 1.00 0.00 H new ATOM 0 HA LYS A 109 7.168 8.293 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.419 5.655 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.682 5.885 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.079 7.896 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.704 7.272 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.168 5.678 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.085 6.523 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.321 4.364 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.542 4.004 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.865 4.305 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.041 5.594 -0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.833 5.830 0.549 1.00 0.00 H new ATOM 915 N ALA A 110 6.104 6.599 5.961 1.00 0.00 N ATOM 916 CA ALA A 110 5.653 5.977 7.175 1.00 0.00 C ATOM 917 C ALA A 110 5.373 4.551 6.849 1.00 0.00 C ATOM 918 O ALA A 110 4.576 4.252 5.967 1.00 0.00 O ATOM 919 CB ALA A 110 4.403 6.564 7.832 1.00 0.00 C ATOM 0 H ALA A 110 5.362 6.865 5.313 1.00 0.00 H new ATOM 0 HA ALA A 110 6.447 6.139 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.171 6.004 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.582 7.608 8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.563 6.499 7.140 1.00 0.00 H new ATOM 925 N ARG A 111 6.049 3.623 7.549 1.00 0.00 N ATOM 926 CA ARG A 111 6.093 2.279 7.090 1.00 0.00 C ATOM 927 C ARG A 111 4.973 1.554 7.751 1.00 0.00 C ATOM 928 O ARG A 111 4.602 1.850 8.886 1.00 0.00 O ATOM 929 CB ARG A 111 7.430 1.712 7.533 1.00 0.00 C ATOM 930 CG ARG A 111 7.825 0.424 6.825 1.00 0.00 C ATOM 931 CD ARG A 111 7.492 -0.803 7.658 1.00 0.00 C ATOM 932 NE ARG A 111 8.231 -1.961 7.070 1.00 0.00 N ATOM 933 CZ ARG A 111 7.880 -3.238 7.386 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.688 -3.502 7.960 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.622 -4.274 6.934 1.00 0.00 N ATOM 0 H ARG A 111 6.555 3.802 8.416 1.00 0.00 H new ATOM 0 HA ARG A 111 5.993 2.192 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.204 2.460 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.396 1.528 8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.310 0.363 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.894 0.439 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.783 -0.651 8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.418 -0.991 7.652 1.00 0.00 H new ATOM 0 HE ARG A 111 9.005 -1.793 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.039 -2.741 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.435 -4.463 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.444 -4.099 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.359 -5.231 7.171 1.00 0.00 H new ATOM 949 N LEU A 112 4.405 0.582 7.023 1.00 0.00 N ATOM 950 CA LEU A 112 3.140 0.028 7.402 1.00 0.00 C ATOM 951 C LEU A 112 3.346 -1.418 7.704 1.00 0.00 C ATOM 952 O LEU A 112 4.466 -1.917 7.774 1.00 0.00 O ATOM 953 CB LEU A 112 2.113 0.126 6.270 1.00 0.00 C ATOM 954 CG LEU A 112 1.747 1.565 5.905 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.963 1.676 4.595 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.022 2.317 7.029 1.00 0.00 C ATOM 0 H LEU A 112 4.813 0.180 6.179 1.00 0.00 H new ATOM 0 HA LEU A 112 2.764 0.584 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.508 -0.376 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.209 -0.408 6.562 1.00 0.00 H new ATOM 0 HG LEU A 112 2.710 2.054 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.735 2.723 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.561 1.272 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.034 1.112 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.793 3.331 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.096 1.798 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.661 2.357 7.911 1.00 0.00 H new ATOM 968 N ASP A 113 2.225 -2.134 7.890 1.00 0.00 N ATOM 969 CA ASP A 113 2.279 -3.539 8.169 1.00 0.00 C ATOM 970 C ASP A 113 1.825 -4.253 6.936 1.00 0.00 C ATOM 971 O ASP A 113 1.345 -3.640 5.994 1.00 0.00 O ATOM 972 CB ASP A 113 1.409 -3.965 9.365 1.00 0.00 C ATOM 973 CG ASP A 113 1.890 -5.324 9.852 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.038 -5.398 10.359 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.144 -6.318 9.639 1.00 0.00 O ATOM 0 H ASP A 113 1.283 -1.745 7.848 1.00 0.00 H new ATOM 0 HA ASP A 113 3.303 -3.794 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.479 -3.229 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.361 -4.017 9.071 1.00 0.00 H new ATOM 980 N TRP A 114 2.055 -5.581 6.891 1.00 0.00 N ATOM 981 CA TRP A 114 1.645 -6.361 5.777 1.00 0.00 C ATOM 982 C TRP A 114 0.286 -6.924 6.082 1.00 0.00 C ATOM 983 O TRP A 114 -0.388 -7.465 5.214 1.00 0.00 O ATOM 984 CB TRP A 114 2.675 -7.492 5.541 1.00 0.00 C ATOM 985 CG TRP A 114 3.558 -7.262 4.337 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.908 -7.348 4.160 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.031 -6.720 3.134 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.247 -6.851 2.912 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.093 -6.431 2.275 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.744 -6.450 2.868 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.777 -5.824 1.065 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.443 -5.900 1.649 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.439 -5.581 0.755 1.00 0.00 C ATOM 0 H TRP A 114 2.525 -6.107 7.628 1.00 0.00 H new ATOM 0 HA TRP A 114 1.591 -5.757 4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.302 -7.593 6.427 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.144 -8.436 5.417 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.606 -7.743 4.883 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.190 -6.803 2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.970 -6.659 3.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.558 -5.544 0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.412 -5.715 1.387 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.182 -5.138 -0.196 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.228 -6.667 7.294 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.586 -7.013 7.593 1.00 0.00 C ATOM 1006 C ASN A 115 -2.313 -5.730 7.816 1.00 0.00 C ATOM 1007 O ASN A 115 -3.322 -5.686 8.521 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.669 -7.781 8.917 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.705 -8.883 8.773 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.368 -10.062 8.656 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.997 -8.490 8.789 1.00 0.00 N ATOM 0 H ASN A 115 0.284 -6.227 8.059 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.995 -7.618 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.697 -8.206 9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.943 -7.107 9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.742 -9.182 8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.228 -7.502 8.888 1.00 0.00 H new ATOM 1018 N THR A 116 -1.804 -4.632 7.224 1.00 0.00 N ATOM 1019 CA THR A 116 -2.198 -3.335 7.677 1.00 0.00 C ATOM 1020 C THR A 116 -3.604 -3.061 7.203 1.00 0.00 C ATOM 1021 O THR A 116 -4.044 -3.545 6.159 1.00 0.00 O ATOM 1022 CB THR A 116 -1.148 -2.208 7.532 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.580 -1.908 8.798 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.684 -0.826 7.133 1.00 0.00 C ATOM 0 H THR A 116 -1.137 -4.641 6.452 1.00 0.00 H new ATOM 0 HA THR A 116 -2.232 -3.339 8.766 1.00 0.00 H new ATOM 0 HB THR A 116 -0.486 -2.612 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.315 -0.965 8.823 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.856 -0.121 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.185 -0.895 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.393 -0.480 7.885 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.386 -2.384 8.062 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.727 -1.992 7.735 1.00 0.00 C ATOM 1034 C ASP A 117 -5.626 -0.861 6.759 1.00 0.00 C ATOM 1035 O ASP A 117 -5.602 0.293 7.165 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.459 -1.503 9.001 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.914 -1.224 8.654 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.620 -2.186 8.258 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.327 -0.039 8.770 1.00 0.00 O ATOM 0 H ASP A 117 -4.087 -2.104 8.996 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.281 -2.832 7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.397 -2.256 9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.984 -0.601 9.386 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.696 -1.209 5.455 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.559 -0.252 4.383 1.00 0.00 C ATOM 1046 C ALA A 118 -6.703 0.712 4.466 1.00 0.00 C ATOM 1047 O ALA A 118 -6.603 1.848 4.013 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.773 -1.127 3.125 1.00 0.00 C ATOM 0 H ALA A 118 -5.850 -2.166 5.137 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.619 0.300 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.692 -0.507 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.015 -1.910 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.763 -1.582 3.162 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.774 0.304 5.172 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.952 1.112 5.299 1.00 0.00 C ATOM 1056 C ALA A 119 -8.681 2.194 6.309 1.00 0.00 C ATOM 1057 O ALA A 119 -9.511 3.074 6.525 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.799 0.014 5.970 1.00 0.00 C ATOM 0 H ALA A 119 -7.825 -0.591 5.658 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.347 1.600 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.796 0.401 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.876 -0.845 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.325 -0.292 6.902 1.00 0.00 H new ATOM 1064 N SER A 120 -7.474 2.192 6.913 1.00 0.00 N ATOM 1065 CA SER A 120 -7.115 3.233 7.836 1.00 0.00 C ATOM 1066 C SER A 120 -6.119 4.122 7.147 1.00 0.00 C ATOM 1067 O SER A 120 -5.816 5.216 7.616 1.00 0.00 O ATOM 1068 CB SER A 120 -6.478 2.708 9.130 1.00 0.00 C ATOM 1069 OG SER A 120 -7.449 2.028 9.915 1.00 0.00 O ATOM 0 H SER A 120 -6.756 1.482 6.766 1.00 0.00 H new ATOM 0 HA SER A 120 -8.028 3.756 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.656 2.034 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.056 3.537 9.698 1.00 0.00 H new ATOM 0 HG SER A 120 -8.027 1.495 9.330 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.586 3.653 5.999 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.683 4.448 5.209 1.00 0.00 C ATOM 1077 C LEU A 121 -5.471 4.936 4.061 1.00 0.00 C ATOM 1078 O LEU A 121 -4.931 5.342 3.036 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.523 3.617 4.649 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.719 2.911 5.736 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.583 3.762 7.000 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.354 1.593 6.166 1.00 0.00 C ATOM 0 H LEU A 121 -5.778 2.727 5.617 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.262 5.242 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.917 2.874 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.860 4.267 4.078 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.743 2.734 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.003 3.217 7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.076 4.696 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.573 3.980 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.743 1.131 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.354 1.781 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.419 0.924 5.308 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.793 4.867 4.239 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.709 5.084 3.161 1.00 0.00 C ATOM 1096 C ILE A 122 -7.752 6.550 2.881 1.00 0.00 C ATOM 1097 O ILE A 122 -7.758 7.382 3.787 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.108 4.539 3.481 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.795 3.830 2.311 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.074 5.552 4.121 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.078 2.567 1.823 1.00 0.00 C ATOM 0 H ILE A 122 -7.237 4.660 5.134 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.367 4.543 2.279 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.883 3.790 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.809 3.564 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.880 4.529 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.034 5.071 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.657 5.908 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.217 6.396 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.634 2.131 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.073 2.825 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.017 1.846 2.638 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.738 6.877 1.579 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.821 8.243 1.141 1.00 0.00 C ATOM 1115 C GLY A 123 -6.447 8.836 1.229 1.00 0.00 C ATOM 1116 O GLY A 123 -6.291 10.018 1.525 1.00 0.00 O ATOM 0 H GLY A 123 -7.669 6.196 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.195 8.294 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.519 8.802 1.764 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.406 8.026 0.946 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.064 8.497 1.110 1.00 0.00 C ATOM 1122 C GLU A 124 -3.285 8.070 -0.095 1.00 0.00 C ATOM 1123 O GLU A 124 -3.850 7.696 -1.127 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.368 7.883 2.333 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.152 8.050 3.638 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.810 9.408 4.236 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.589 9.718 4.350 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -4.754 10.143 4.624 1.00 0.00 O ATOM 0 H GLU A 124 -5.491 7.066 0.611 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.103 9.578 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.205 6.821 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.386 8.341 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.223 7.978 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.898 7.253 4.337 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.946 8.087 0.040 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.086 7.624 -1.007 1.00 0.00 C ATOM 1137 C GLU A 125 -0.167 6.624 -0.403 1.00 0.00 C ATOM 1138 O GLU A 125 0.440 6.874 0.641 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.219 8.724 -1.618 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.990 9.633 -2.576 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.648 11.081 -2.244 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.751 11.462 -1.042 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.249 11.822 -3.181 1.00 0.00 O ATOM 0 H GLU A 125 -1.459 8.420 0.872 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.716 7.225 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.208 9.328 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.614 8.267 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.725 9.408 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.062 9.464 -2.478 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.042 5.468 -1.073 1.00 0.00 N ATOM 1151 CA LEU A 126 0.795 4.415 -0.580 1.00 0.00 C ATOM 1152 C LEU A 126 1.955 4.292 -1.518 1.00 0.00 C ATOM 1153 O LEU A 126 1.901 4.714 -2.672 1.00 0.00 O ATOM 1154 CB LEU A 126 0.119 3.031 -0.546 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.884 2.830 0.600 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.638 1.538 1.391 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.928 3.984 1.610 1.00 0.00 C ATOM 0 H LEU A 126 -0.516 5.259 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 126 1.062 4.680 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.396 2.871 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.892 2.267 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.840 2.780 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.378 1.452 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.722 0.681 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.361 1.562 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.661 3.761 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.055 4.107 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.209 4.905 1.099 1.00 0.00 H new ATOM 1169 N GLN A 127 3.030 3.639 -1.042 1.00 0.00 N ATOM 1170 CA GLN A 127 4.134 3.317 -1.896 1.00 0.00 C ATOM 1171 C GLN A 127 4.721 2.051 -1.368 1.00 0.00 C ATOM 1172 O GLN A 127 4.525 1.706 -0.204 1.00 0.00 O ATOM 1173 CB GLN A 127 5.232 4.392 -1.919 1.00 0.00 C ATOM 1174 CG GLN A 127 6.157 4.318 -3.146 1.00 0.00 C ATOM 1175 CD GLN A 127 7.574 4.665 -2.707 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.875 5.815 -2.380 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.486 3.662 -2.741 1.00 0.00 N ATOM 0 H GLN A 127 3.136 3.335 -0.074 1.00 0.00 H new ATOM 0 HA GLN A 127 3.765 3.234 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.763 5.376 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.836 4.299 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.130 3.319 -3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.819 5.011 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.201 2.722 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.457 3.847 -2.491 1.00 0.00 H new ATOM 1186 N VAL A 128 5.438 1.311 -2.229 1.00 0.00 N ATOM 1187 CA VAL A 128 6.069 0.101 -1.795 1.00 0.00 C ATOM 1188 C VAL A 128 7.541 0.305 -1.949 1.00 0.00 C ATOM 1189 O VAL A 128 7.987 1.070 -2.800 1.00 0.00 O ATOM 1190 CB VAL A 128 5.625 -1.118 -2.617 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.444 -2.382 -2.341 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.174 -1.528 -2.349 1.00 0.00 C ATOM 0 H VAL A 128 5.581 1.543 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 128 5.789 -0.105 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 128 5.767 -0.773 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.071 -3.199 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.491 -2.196 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.353 -2.652 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.922 -2.395 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.056 -1.780 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.510 -0.701 -2.601 1.00 0.00 H new ATOM 1202 N ASP A 129 8.335 -0.363 -1.093 1.00 0.00 N ATOM 1203 CA ASP A 129 9.758 -0.205 -1.145 1.00 0.00 C ATOM 1204 C ASP A 129 10.362 -1.501 -0.690 1.00 0.00 C ATOM 1205 O ASP A 129 9.712 -2.544 -0.722 1.00 0.00 O ATOM 1206 CB ASP A 129 10.247 0.947 -0.242 1.00 0.00 C ATOM 1207 CG ASP A 129 11.044 1.923 -1.096 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.023 1.472 -1.745 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.686 3.133 -1.099 1.00 0.00 O ATOM 0 H ASP A 129 8.000 -1.004 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 129 10.059 0.045 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.399 1.453 0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.866 0.558 0.567 1.00 0.00 H new ATOM 1214 N PHE A 130 11.632 -1.453 -0.234 1.00 0.00 N ATOM 1215 CA PHE A 130 12.311 -2.640 0.207 1.00 0.00 C ATOM 1216 C PHE A 130 11.642 -3.116 1.470 1.00 0.00 C ATOM 1217 O PHE A 130 10.882 -2.383 2.094 1.00 0.00 O ATOM 1218 CB PHE A 130 13.812 -2.416 0.478 1.00 0.00 C ATOM 1219 CG PHE A 130 14.008 -0.981 0.848 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.658 -0.509 2.104 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.529 -0.066 -0.076 1.00 0.00 C ATOM 1222 CE1 PHE A 130 13.779 0.834 2.420 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.657 1.273 0.246 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.280 1.725 1.494 1.00 0.00 C ATOM 0 H PHE A 130 12.186 -0.599 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 130 12.247 -3.380 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.155 -3.067 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.400 -2.665 -0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.286 -1.199 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.835 -0.411 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 130 13.480 1.185 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.053 1.966 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 130 14.377 2.771 1.744 1.00 0.00 H new ATOM 1234 N LEU A 131 12.011 -4.333 1.924 1.00 0.00 N ATOM 1235 CA LEU A 131 11.281 -5.007 2.961 1.00 0.00 C ATOM 1236 C LEU A 131 11.518 -4.312 4.265 1.00 0.00 C ATOM 1237 O LEU A 131 10.803 -4.524 5.242 1.00 0.00 O ATOM 1238 CB LEU A 131 11.675 -6.482 3.108 1.00 0.00 C ATOM 1239 CG LEU A 131 12.952 -6.873 2.352 1.00 0.00 C ATOM 1240 CD1 LEU A 131 14.226 -6.243 2.932 1.00 0.00 C ATOM 1241 CD2 LEU A 131 13.170 -8.389 2.283 1.00 0.00 C ATOM 0 H LEU A 131 12.816 -4.851 1.572 1.00 0.00 H new ATOM 0 HA LEU A 131 10.228 -4.975 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.810 -6.706 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.852 -7.103 2.753 1.00 0.00 H new ATOM 0 HG LEU A 131 12.782 -6.480 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 131 15.089 -6.563 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 131 14.145 -5.157 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.350 -6.561 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 131 14.089 -8.600 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.248 -8.792 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.328 -8.855 1.771 1.00 0.00 H new ATOM 1253 N ASP A 132 12.522 -3.433 4.292 1.00 0.00 N ATOM 1254 CA ASP A 132 12.862 -2.723 5.494 1.00 0.00 C ATOM 1255 C ASP A 132 11.806 -1.606 5.691 1.00 0.00 C ATOM 1256 O ASP A 132 11.994 -0.499 5.118 1.00 0.00 O ATOM 1257 CB ASP A 132 14.259 -2.080 5.467 1.00 0.00 C ATOM 1258 CG ASP A 132 15.247 -3.106 4.931 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.289 -3.283 3.684 1.00 0.00 O ATOM 1260 OD2 ASP A 132 15.953 -3.735 5.762 1.00 0.00 O ATOM 1261 OXT ASP A 132 10.826 -1.837 6.454 1.00 0.00 O ATOM 0 H ASP A 132 13.105 -3.206 3.487 1.00 0.00 H new ATOM 0 HA ASP A 132 12.873 -3.446 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.256 -1.191 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 132 14.549 -1.760 6.468 1.00 0.00 H new TER 1266 ASP A 132