USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ 143:sc= 0.943 (180deg=0.226) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.404 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -3.23! C(o=-3.2!,f=-9.6!) USER MOD Single : A 9 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 13 SER OG : rot 180:sc= -0.409 USER MOD Single : A 23 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.06) USER MOD Single : A 24 ASN :FLIP amide:sc= -2.23! C(o=-3.2!,f=-2.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.364 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.338 (180deg=-1.29!) USER MOD Single : A 47 HIS : no HE2:sc= -4.28! C(o=-4.3!,f=-6!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.124 (180deg=-0.808) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 27.967 7.934 2.482 1.00 7.80 N ATOM 2 CA TYR A 1 27.215 6.918 3.275 1.00 7.82 C ATOM 3 C TYR A 1 26.153 6.262 2.389 1.00 6.67 C ATOM 4 O TYR A 1 25.206 6.901 1.974 1.00 6.24 O ATOM 5 CB TYR A 1 26.535 7.569 4.479 1.00 8.78 C ATOM 6 CG TYR A 1 27.501 8.559 5.133 1.00 10.03 C ATOM 7 CD1 TYR A 1 28.606 8.107 5.825 1.00 10.76 C ATOM 8 CD2 TYR A 1 27.282 9.919 5.038 1.00 10.52 C ATOM 9 CE1 TYR A 1 29.477 9.000 6.414 1.00 11.90 C ATOM 10 CE2 TYR A 1 28.153 10.812 5.627 1.00 11.67 C ATOM 11 CZ TYR A 1 29.258 10.359 6.320 1.00 12.33 C ATOM 12 OH TYR A 1 30.129 11.253 6.909 1.00 13.49 O ATOM 0 H1 TYR A 1 28.189 8.751 3.086 1.00 7.80 H new ATOM 0 H2 TYR A 1 28.850 7.514 2.129 1.00 7.80 H new ATOM 0 H3 TYR A 1 27.386 8.246 1.678 1.00 7.80 H new ATOM 0 HA TYR A 1 27.919 6.166 3.632 1.00 7.82 H new ATOM 0 HB2 TYR A 1 25.627 8.084 4.164 1.00 8.78 H new ATOM 0 HB3 TYR A 1 26.236 6.806 5.198 1.00 8.78 H new ATOM 0 HD1 TYR A 1 28.790 7.046 5.906 1.00 10.76 H new ATOM 0 HD2 TYR A 1 26.422 10.287 4.498 1.00 10.52 H new ATOM 0 HE1 TYR A 1 30.337 8.632 6.953 1.00 11.90 H new ATOM 0 HE2 TYR A 1 27.969 11.873 5.545 1.00 11.67 H new ATOM 0 HH TYR A 1 29.821 12.168 6.742 1.00 13.49 H new ATOM 24 N ALA A 2 26.333 4.999 2.118 1.00 6.48 N ATOM 25 CA ALA A 2 25.341 4.286 1.260 1.00 5.54 C ATOM 26 C ALA A 2 25.487 2.769 1.431 1.00 6.23 C ATOM 27 O ALA A 2 26.559 2.274 1.710 1.00 7.10 O ATOM 28 CB ALA A 2 25.585 4.659 -0.202 1.00 4.78 C ATOM 0 H ALA A 2 27.115 4.433 2.449 1.00 6.48 H new ATOM 0 HA ALA A 2 24.334 4.579 1.556 1.00 5.54 H new ATOM 0 HB1 ALA A 2 24.864 4.142 -0.835 1.00 4.78 H new ATOM 0 HB2 ALA A 2 25.471 5.736 -0.327 1.00 4.78 H new ATOM 0 HB3 ALA A 2 26.595 4.366 -0.489 1.00 4.78 H new ATOM 34 N SER A 3 24.401 2.067 1.259 1.00 6.05 N ATOM 35 CA SER A 3 24.457 0.583 1.408 1.00 7.10 C ATOM 36 C SER A 3 23.464 -0.083 0.451 1.00 6.88 C ATOM 37 O SER A 3 23.102 0.480 -0.563 1.00 6.00 O ATOM 38 CB SER A 3 24.104 0.212 2.848 1.00 8.24 C ATOM 39 OG SER A 3 24.619 -1.102 3.003 1.00 9.09 O ATOM 0 H SER A 3 23.485 2.450 1.024 1.00 6.05 H new ATOM 0 HA SER A 3 25.462 0.236 1.170 1.00 7.10 H new ATOM 0 HB2 SER A 3 24.555 0.903 3.560 1.00 8.24 H new ATOM 0 HB3 SER A 3 23.027 0.240 3.014 1.00 8.24 H new ATOM 0 HG SER A 3 24.435 -1.420 3.911 1.00 9.09 H new ATOM 45 N LEU A 4 23.043 -1.270 0.795 1.00 7.92 N ATOM 46 CA LEU A 4 22.074 -1.987 -0.085 1.00 8.12 C ATOM 47 C LEU A 4 20.764 -1.197 -0.184 1.00 7.22 C ATOM 48 O LEU A 4 20.176 -1.096 -1.241 1.00 6.83 O ATOM 49 CB LEU A 4 21.792 -3.368 0.504 1.00 9.59 C ATOM 50 CG LEU A 4 23.043 -4.238 0.365 1.00 10.50 C ATOM 51 CD1 LEU A 4 23.224 -5.066 1.638 1.00 11.89 C ATOM 52 CD2 LEU A 4 22.871 -5.180 -0.829 1.00 10.89 C ATOM 0 H LEU A 4 23.324 -1.771 1.638 1.00 7.92 H new ATOM 0 HA LEU A 4 22.501 -2.088 -1.083 1.00 8.12 H new ATOM 0 HB2 LEU A 4 21.511 -3.279 1.553 1.00 9.59 H new ATOM 0 HB3 LEU A 4 20.952 -3.832 -0.012 1.00 9.59 H new ATOM 0 HG LEU A 4 23.917 -3.605 0.211 1.00 10.50 H new ATOM 0 HD11 LEU A 4 24.114 -5.688 1.544 1.00 11.89 H new ATOM 0 HD12 LEU A 4 23.336 -4.399 2.493 1.00 11.89 H new ATOM 0 HD13 LEU A 4 22.351 -5.702 1.786 1.00 11.89 H new ATOM 0 HD21 LEU A 4 23.760 -5.802 -0.933 1.00 10.89 H new ATOM 0 HD22 LEU A 4 22.000 -5.815 -0.669 1.00 10.89 H new ATOM 0 HD23 LEU A 4 22.730 -4.594 -1.737 1.00 10.89 H new ATOM 64 N GLU A 5 20.337 -0.655 0.924 1.00 7.10 N ATOM 65 CA GLU A 5 19.068 0.130 0.913 1.00 6.27 C ATOM 66 C GLU A 5 19.368 1.619 0.708 1.00 4.90 C ATOM 67 O GLU A 5 20.372 2.123 1.170 1.00 5.18 O ATOM 68 CB GLU A 5 18.348 -0.066 2.246 1.00 7.23 C ATOM 69 CG GLU A 5 18.256 -1.563 2.550 1.00 8.76 C ATOM 70 CD GLU A 5 19.212 -1.906 3.693 1.00 9.88 C ATOM 71 OE1 GLU A 5 19.045 -1.300 4.739 1.00 10.14 O ATOM 72 OE2 GLU A 5 20.056 -2.756 3.457 1.00 10.57 O ATOM 0 H GLU A 5 20.805 -0.720 1.828 1.00 7.10 H new ATOM 0 HA GLU A 5 18.438 -0.218 0.095 1.00 6.27 H new ATOM 0 HB2 GLU A 5 18.886 0.447 3.043 1.00 7.23 H new ATOM 0 HB3 GLU A 5 17.350 0.371 2.202 1.00 7.23 H new ATOM 0 HG2 GLU A 5 17.235 -1.828 2.823 1.00 8.76 H new ATOM 0 HG3 GLU A 5 18.510 -2.142 1.662 1.00 8.76 H new ATOM 79 N GLU A 6 18.486 2.291 0.018 1.00 3.79 N ATOM 80 CA GLU A 6 18.702 3.747 -0.225 1.00 2.55 C ATOM 81 C GLU A 6 17.355 4.468 -0.346 1.00 1.71 C ATOM 82 O GLU A 6 17.288 5.680 -0.284 1.00 1.24 O ATOM 83 CB GLU A 6 19.493 3.924 -1.521 1.00 2.15 C ATOM 84 CG GLU A 6 20.168 5.298 -1.513 1.00 2.20 C ATOM 85 CD GLU A 6 20.833 5.542 -2.869 1.00 2.70 C ATOM 86 OE1 GLU A 6 20.670 4.679 -3.715 1.00 3.09 O ATOM 87 OE2 GLU A 6 21.468 6.578 -2.981 1.00 3.27 O ATOM 0 H GLU A 6 17.634 1.900 -0.384 1.00 3.79 H new ATOM 0 HA GLU A 6 19.256 4.174 0.611 1.00 2.55 H new ATOM 0 HB2 GLU A 6 20.242 3.138 -1.615 1.00 2.15 H new ATOM 0 HB3 GLU A 6 18.830 3.836 -2.381 1.00 2.15 H new ATOM 0 HG2 GLU A 6 19.432 6.076 -1.310 1.00 2.20 H new ATOM 0 HG3 GLU A 6 20.911 5.347 -0.717 1.00 2.20 H new ATOM 94 N GLN A 7 16.310 3.705 -0.516 1.00 2.18 N ATOM 95 CA GLN A 7 14.959 4.327 -0.643 1.00 1.62 C ATOM 96 C GLN A 7 13.872 3.250 -0.565 1.00 2.56 C ATOM 97 O GLN A 7 13.125 3.051 -1.503 1.00 2.94 O ATOM 98 CB GLN A 7 14.866 5.051 -1.986 1.00 1.55 C ATOM 99 CG GLN A 7 15.416 4.140 -3.085 1.00 2.95 C ATOM 100 CD GLN A 7 15.214 4.811 -4.445 1.00 3.78 C ATOM 101 OE1 GLN A 7 16.144 5.313 -5.045 1.00 4.48 O ATOM 102 NE2 GLN A 7 14.018 4.841 -4.965 1.00 4.28 N ATOM 0 H GLN A 7 16.331 2.687 -0.572 1.00 2.18 H new ATOM 0 HA GLN A 7 14.811 5.036 0.172 1.00 1.62 H new ATOM 0 HB2 GLN A 7 13.830 5.315 -2.200 1.00 1.55 H new ATOM 0 HB3 GLN A 7 15.432 5.982 -1.951 1.00 1.55 H new ATOM 0 HG2 GLN A 7 16.475 3.946 -2.916 1.00 2.95 H new ATOM 0 HG3 GLN A 7 14.907 3.176 -3.063 1.00 2.95 H new ATOM 0 HE21 GLN A 7 13.234 4.421 -4.466 1.00 4.28 H new ATOM 0 HE22 GLN A 7 13.867 5.284 -5.871 1.00 4.28 H new ATOM 111 N ASN A 8 13.808 2.579 0.555 1.00 3.30 N ATOM 112 CA ASN A 8 12.777 1.509 0.717 1.00 4.19 C ATOM 113 C ASN A 8 12.203 1.539 2.138 1.00 4.29 C ATOM 114 O ASN A 8 12.381 0.610 2.900 1.00 5.39 O ATOM 115 CB ASN A 8 13.422 0.149 0.458 1.00 5.65 C ATOM 116 CG ASN A 8 13.644 -0.029 -1.045 1.00 6.10 C ATOM 117 OD1 ASN A 8 14.050 0.882 -1.737 1.00 5.58 O ATOM 118 ND2 ASN A 8 13.391 -1.189 -1.588 1.00 7.37 N ATOM 0 H ASN A 8 14.419 2.723 1.359 1.00 3.30 H new ATOM 0 HA ASN A 8 11.969 1.679 0.006 1.00 4.19 H new ATOM 0 HB2 ASN A 8 14.372 0.078 0.988 1.00 5.65 H new ATOM 0 HB3 ASN A 8 12.783 -0.648 0.839 1.00 5.65 H new ATOM 0 HD21 ASN A 8 13.535 -1.326 -2.588 1.00 7.37 H new ATOM 0 HD22 ASN A 8 13.050 -1.958 -1.012 1.00 7.37 H new ATOM 125 N ASN A 9 11.525 2.606 2.462 1.00 3.35 N ATOM 126 CA ASN A 9 10.934 2.712 3.829 1.00 3.87 C ATOM 127 C ASN A 9 9.868 1.629 4.030 1.00 4.64 C ATOM 128 O ASN A 9 9.933 0.573 3.434 1.00 5.00 O ATOM 129 CB ASN A 9 10.297 4.090 3.994 1.00 3.21 C ATOM 130 CG ASN A 9 11.283 5.162 3.526 1.00 2.49 C ATOM 131 OD1 ASN A 9 12.402 5.239 3.992 1.00 3.31 O ATOM 132 ND2 ASN A 9 10.908 6.008 2.606 1.00 1.58 N ATOM 0 H ASN A 9 11.355 3.402 1.847 1.00 3.35 H new ATOM 0 HA ASN A 9 11.720 2.575 4.571 1.00 3.87 H new ATOM 0 HB2 ASN A 9 9.376 4.149 3.415 1.00 3.21 H new ATOM 0 HB3 ASN A 9 10.029 4.257 5.037 1.00 3.21 H new ATOM 0 HD21 ASN A 9 11.553 6.729 2.282 1.00 1.58 H new ATOM 0 HD22 ASN A 9 9.970 5.949 2.211 1.00 1.58 H new ATOM 139 N ASP A 10 8.910 1.916 4.869 1.00 5.13 N ATOM 140 CA ASP A 10 7.833 0.914 5.121 1.00 5.90 C ATOM 141 C ASP A 10 6.770 0.991 4.019 1.00 5.10 C ATOM 142 O ASP A 10 5.787 0.278 4.052 1.00 5.88 O ATOM 143 CB ASP A 10 7.185 1.206 6.474 1.00 6.92 C ATOM 144 CG ASP A 10 6.798 2.685 6.542 1.00 6.45 C ATOM 145 OD1 ASP A 10 5.710 2.980 6.080 1.00 6.28 O ATOM 146 OD2 ASP A 10 7.614 3.434 7.053 1.00 6.58 O ATOM 0 H ASP A 10 8.825 2.791 5.386 1.00 5.13 H new ATOM 0 HA ASP A 10 8.267 -0.086 5.124 1.00 5.90 H new ATOM 0 HB2 ASP A 10 6.302 0.581 6.610 1.00 6.92 H new ATOM 0 HB3 ASP A 10 7.876 0.962 7.281 1.00 6.92 H new ATOM 151 N ALA A 11 6.992 1.856 3.067 1.00 3.75 N ATOM 152 CA ALA A 11 6.004 1.991 1.956 1.00 2.97 C ATOM 153 C ALA A 11 5.765 0.628 1.295 1.00 3.20 C ATOM 154 O ALA A 11 6.664 -0.185 1.203 1.00 3.26 O ATOM 155 CB ALA A 11 6.550 2.971 0.920 1.00 2.26 C ATOM 0 H ALA A 11 7.805 2.469 3.009 1.00 3.75 H new ATOM 0 HA ALA A 11 5.059 2.360 2.356 1.00 2.97 H new ATOM 0 HB1 ALA A 11 5.834 3.075 0.105 1.00 2.26 H new ATOM 0 HB2 ALA A 11 6.711 3.942 1.388 1.00 2.26 H new ATOM 0 HB3 ALA A 11 7.495 2.596 0.527 1.00 2.26 H new ATOM 161 N LEU A 12 4.558 0.410 0.851 1.00 3.64 N ATOM 162 CA LEU A 12 4.246 -0.894 0.197 1.00 3.91 C ATOM 163 C LEU A 12 5.153 -1.105 -1.022 1.00 3.00 C ATOM 164 O LEU A 12 6.055 -0.329 -1.270 1.00 2.25 O ATOM 165 CB LEU A 12 2.781 -0.892 -0.247 1.00 4.54 C ATOM 166 CG LEU A 12 1.958 -1.741 0.729 1.00 6.35 C ATOM 167 CD1 LEU A 12 0.470 -1.534 0.442 1.00 7.19 C ATOM 168 CD2 LEU A 12 2.303 -3.223 0.541 1.00 7.19 C ATOM 0 H LEU A 12 3.782 1.069 0.911 1.00 3.64 H new ATOM 0 HA LEU A 12 4.418 -1.704 0.906 1.00 3.91 H new ATOM 0 HB2 LEU A 12 2.398 0.128 -0.273 1.00 4.54 H new ATOM 0 HB3 LEU A 12 2.694 -1.291 -1.258 1.00 4.54 H new ATOM 0 HG LEU A 12 2.186 -1.441 1.752 1.00 6.35 H new ATOM 0 HD11 LEU A 12 -0.121 -2.135 1.133 1.00 7.19 H new ATOM 0 HD12 LEU A 12 0.218 -0.481 0.570 1.00 7.19 H new ATOM 0 HD13 LEU A 12 0.251 -1.838 -0.582 1.00 7.19 H new ATOM 0 HD21 LEU A 12 1.717 -3.824 1.236 1.00 7.19 H new ATOM 0 HD22 LEU A 12 2.073 -3.523 -0.481 1.00 7.19 H new ATOM 0 HD23 LEU A 12 3.365 -3.377 0.735 1.00 7.19 H new ATOM 180 N SER A 13 4.893 -2.153 -1.755 1.00 3.16 N ATOM 181 CA SER A 13 5.731 -2.434 -2.957 1.00 2.52 C ATOM 182 C SER A 13 5.137 -1.722 -4.187 1.00 1.68 C ATOM 183 O SER A 13 4.004 -1.290 -4.160 1.00 1.49 O ATOM 184 CB SER A 13 5.751 -3.945 -3.191 1.00 3.22 C ATOM 185 OG SER A 13 7.115 -4.306 -3.027 1.00 3.83 O ATOM 0 H SER A 13 4.144 -2.822 -1.577 1.00 3.16 H new ATOM 0 HA SER A 13 6.745 -2.068 -2.799 1.00 2.52 H new ATOM 0 HB2 SER A 13 5.113 -4.467 -2.478 1.00 3.22 H new ATOM 0 HB3 SER A 13 5.389 -4.198 -4.188 1.00 3.22 H new ATOM 0 HG SER A 13 7.216 -5.272 -3.160 1.00 3.83 H new ATOM 191 N PRO A 14 5.922 -1.610 -5.250 1.00 1.27 N ATOM 192 CA PRO A 14 5.453 -0.957 -6.479 1.00 0.54 C ATOM 193 C PRO A 14 4.162 -1.614 -6.981 1.00 0.54 C ATOM 194 O PRO A 14 3.417 -1.026 -7.740 1.00 0.66 O ATOM 195 CB PRO A 14 6.585 -1.145 -7.495 1.00 0.70 C ATOM 196 CG PRO A 14 7.749 -1.882 -6.765 1.00 1.25 C ATOM 197 CD PRO A 14 7.305 -2.120 -5.310 1.00 1.62 C ATOM 0 HA PRO A 14 5.225 0.096 -6.317 1.00 0.54 H new ATOM 0 HB2 PRO A 14 6.240 -1.725 -8.351 1.00 0.70 H new ATOM 0 HB3 PRO A 14 6.921 -0.181 -7.878 1.00 0.70 H new ATOM 0 HG2 PRO A 14 7.972 -2.828 -7.257 1.00 1.25 H new ATOM 0 HG3 PRO A 14 8.660 -1.284 -6.795 1.00 1.25 H new ATOM 0 HD2 PRO A 14 7.348 -3.178 -5.051 1.00 1.62 H new ATOM 0 HD3 PRO A 14 7.952 -1.594 -4.608 1.00 1.62 H new ATOM 205 N ALA A 15 3.926 -2.822 -6.546 1.00 0.93 N ATOM 206 CA ALA A 15 2.688 -3.528 -6.983 1.00 1.16 C ATOM 207 C ALA A 15 1.472 -2.944 -6.259 1.00 0.81 C ATOM 208 O ALA A 15 0.354 -3.366 -6.474 1.00 0.93 O ATOM 209 CB ALA A 15 2.815 -5.015 -6.649 1.00 1.73 C ATOM 0 H ALA A 15 4.530 -3.346 -5.913 1.00 0.93 H new ATOM 0 HA ALA A 15 2.558 -3.400 -8.058 1.00 1.16 H new ATOM 0 HB1 ALA A 15 1.912 -5.538 -6.966 1.00 1.73 H new ATOM 0 HB2 ALA A 15 3.677 -5.432 -7.169 1.00 1.73 H new ATOM 0 HB3 ALA A 15 2.946 -5.137 -5.574 1.00 1.73 H new ATOM 215 N ILE A 16 1.721 -1.980 -5.415 1.00 0.51 N ATOM 216 CA ILE A 16 0.597 -1.350 -4.665 1.00 0.31 C ATOM 217 C ILE A 16 -0.544 -1.002 -5.626 1.00 0.20 C ATOM 218 O ILE A 16 -1.698 -1.002 -5.249 1.00 0.36 O ATOM 219 CB ILE A 16 1.105 -0.077 -3.984 1.00 0.57 C ATOM 220 CG1 ILE A 16 0.026 0.454 -3.035 1.00 0.71 C ATOM 221 CG2 ILE A 16 1.407 0.979 -5.048 1.00 0.55 C ATOM 222 CD1 ILE A 16 0.469 1.809 -2.479 1.00 0.94 C ATOM 0 H ILE A 16 2.647 -1.603 -5.213 1.00 0.51 H new ATOM 0 HA ILE A 16 0.224 -2.047 -3.915 1.00 0.31 H new ATOM 0 HB ILE A 16 2.011 -0.299 -3.421 1.00 0.57 H new ATOM 0 HG12 ILE A 16 -0.922 0.556 -3.563 1.00 0.71 H new ATOM 0 HG13 ILE A 16 -0.138 -0.251 -2.220 1.00 0.71 H new ATOM 0 HG21 ILE A 16 1.769 1.887 -4.567 1.00 0.55 H new ATOM 0 HG22 ILE A 16 2.169 0.601 -5.730 1.00 0.55 H new ATOM 0 HG23 ILE A 16 0.498 1.202 -5.607 1.00 0.55 H new ATOM 0 HD11 ILE A 16 -0.295 2.192 -1.803 1.00 0.94 H new ATOM 0 HD12 ILE A 16 1.407 1.691 -1.937 1.00 0.94 H new ATOM 0 HD13 ILE A 16 0.611 2.511 -3.301 1.00 0.94 H new ATOM 234 N ARG A 17 -0.194 -0.711 -6.849 1.00 0.46 N ATOM 235 CA ARG A 17 -1.247 -0.368 -7.849 1.00 0.81 C ATOM 236 C ARG A 17 -1.956 -1.642 -8.315 1.00 0.95 C ATOM 237 O ARG A 17 -3.134 -1.629 -8.612 1.00 1.12 O ATOM 238 CB ARG A 17 -0.596 0.323 -9.046 1.00 1.02 C ATOM 239 CG ARG A 17 -0.569 1.833 -8.802 1.00 1.33 C ATOM 240 CD ARG A 17 0.126 2.519 -9.979 1.00 1.21 C ATOM 241 NE ARG A 17 -0.707 3.669 -10.430 1.00 2.21 N ATOM 242 CZ ARG A 17 -1.731 3.452 -11.210 1.00 2.78 C ATOM 243 NH1 ARG A 17 -2.051 2.220 -11.501 1.00 2.91 N ATOM 244 NH2 ARG A 17 -2.398 4.472 -11.673 1.00 3.80 N ATOM 0 H ARG A 17 0.765 -0.695 -7.197 1.00 0.46 H new ATOM 0 HA ARG A 17 -1.978 0.299 -7.392 1.00 0.81 H new ATOM 0 HB2 ARG A 17 0.417 -0.052 -9.191 1.00 1.02 H new ATOM 0 HB3 ARG A 17 -1.152 0.100 -9.957 1.00 1.02 H new ATOM 0 HG2 ARG A 17 -1.584 2.214 -8.691 1.00 1.33 H new ATOM 0 HG3 ARG A 17 -0.042 2.054 -7.874 1.00 1.33 H new ATOM 0 HD2 ARG A 17 1.116 2.865 -9.682 1.00 1.21 H new ATOM 0 HD3 ARG A 17 0.267 1.812 -10.797 1.00 1.21 H new ATOM 0 HE ARG A 17 -0.479 4.617 -10.132 1.00 2.21 H new ATOM 0 HH11 ARG A 17 -1.504 1.448 -11.121 1.00 2.91 H new ATOM 0 HH12 ARG A 17 -2.848 2.030 -12.109 1.00 2.91 H new ATOM 0 HH21 ARG A 17 -2.117 5.420 -11.424 1.00 3.80 H new ATOM 0 HH22 ARG A 17 -3.201 4.322 -12.284 1.00 3.80 H new ATOM 258 N ARG A 18 -1.218 -2.718 -8.369 1.00 0.90 N ATOM 259 CA ARG A 18 -1.830 -4.007 -8.807 1.00 1.06 C ATOM 260 C ARG A 18 -2.467 -4.716 -7.610 1.00 0.95 C ATOM 261 O ARG A 18 -3.265 -5.618 -7.770 1.00 1.30 O ATOM 262 CB ARG A 18 -0.745 -4.897 -9.410 1.00 1.14 C ATOM 263 CG ARG A 18 -0.151 -4.204 -10.639 1.00 1.26 C ATOM 264 CD ARG A 18 -0.252 -5.145 -11.843 1.00 1.83 C ATOM 265 NE ARG A 18 -1.677 -5.533 -12.037 1.00 3.43 N ATOM 266 CZ ARG A 18 -1.985 -6.794 -12.164 1.00 4.23 C ATOM 267 NH1 ARG A 18 -1.867 -7.358 -13.335 1.00 4.50 N ATOM 268 NH2 ARG A 18 -2.401 -7.451 -11.115 1.00 5.13 N ATOM 0 H ARG A 18 -0.227 -2.762 -8.131 1.00 0.90 H new ATOM 0 HA ARG A 18 -2.600 -3.807 -9.552 1.00 1.06 H new ATOM 0 HB2 ARG A 18 0.035 -5.089 -8.674 1.00 1.14 H new ATOM 0 HB3 ARG A 18 -1.164 -5.863 -9.690 1.00 1.14 H new ATOM 0 HG2 ARG A 18 -0.685 -3.275 -10.842 1.00 1.26 H new ATOM 0 HG3 ARG A 18 0.890 -3.939 -10.455 1.00 1.26 H new ATOM 0 HD2 ARG A 18 0.130 -4.654 -12.738 1.00 1.83 H new ATOM 0 HD3 ARG A 18 0.361 -6.032 -11.680 1.00 1.83 H new ATOM 0 HE ARG A 18 -2.405 -4.819 -12.070 1.00 3.43 H new ATOM 0 HH11 ARG A 18 -1.538 -6.814 -14.132 1.00 4.50 H new ATOM 0 HH12 ARG A 18 -2.103 -8.343 -13.453 1.00 4.50 H new ATOM 0 HH21 ARG A 18 -2.481 -6.977 -10.215 1.00 5.13 H new ATOM 0 HH22 ARG A 18 -2.646 -8.438 -11.195 1.00 5.13 H new ATOM 282 N LEU A 19 -2.098 -4.292 -6.432 1.00 0.49 N ATOM 283 CA LEU A 19 -2.672 -4.926 -5.211 1.00 0.40 C ATOM 284 C LEU A 19 -4.192 -5.063 -5.356 1.00 0.41 C ATOM 285 O LEU A 19 -4.800 -5.939 -4.774 1.00 0.60 O ATOM 286 CB LEU A 19 -2.341 -4.053 -3.998 1.00 0.40 C ATOM 287 CG LEU A 19 -2.666 -4.819 -2.713 1.00 0.40 C ATOM 288 CD1 LEU A 19 -1.397 -5.503 -2.201 1.00 0.42 C ATOM 289 CD2 LEU A 19 -3.170 -3.835 -1.655 1.00 0.42 C ATOM 0 H LEU A 19 -1.430 -3.540 -6.263 1.00 0.49 H new ATOM 0 HA LEU A 19 -2.244 -5.920 -5.078 1.00 0.40 H new ATOM 0 HB2 LEU A 19 -1.287 -3.777 -4.012 1.00 0.40 H new ATOM 0 HB3 LEU A 19 -2.914 -3.126 -4.036 1.00 0.40 H new ATOM 0 HG LEU A 19 -3.432 -5.568 -2.914 1.00 0.40 H new ATOM 0 HD11 LEU A 19 -1.623 -6.050 -1.286 1.00 0.42 H new ATOM 0 HD12 LEU A 19 -1.027 -6.196 -2.956 1.00 0.42 H new ATOM 0 HD13 LEU A 19 -0.636 -4.750 -1.996 1.00 0.42 H new ATOM 0 HD21 LEU A 19 -3.403 -4.375 -0.737 1.00 0.42 H new ATOM 0 HD22 LEU A 19 -2.399 -3.092 -1.453 1.00 0.42 H new ATOM 0 HD23 LEU A 19 -4.068 -3.336 -2.020 1.00 0.42 H new ATOM 301 N LEU A 20 -4.772 -4.194 -6.138 1.00 0.29 N ATOM 302 CA LEU A 20 -6.250 -4.259 -6.338 1.00 0.35 C ATOM 303 C LEU A 20 -6.587 -5.258 -7.450 1.00 0.31 C ATOM 304 O LEU A 20 -7.532 -6.014 -7.343 1.00 0.36 O ATOM 305 CB LEU A 20 -6.764 -2.875 -6.730 1.00 0.52 C ATOM 306 CG LEU A 20 -6.477 -1.889 -5.595 1.00 0.39 C ATOM 307 CD1 LEU A 20 -6.285 -0.489 -6.183 1.00 0.39 C ATOM 308 CD2 LEU A 20 -7.665 -1.871 -4.631 1.00 0.65 C ATOM 0 H LEU A 20 -4.293 -3.448 -6.643 1.00 0.29 H new ATOM 0 HA LEU A 20 -6.724 -4.584 -5.412 1.00 0.35 H new ATOM 0 HB2 LEU A 20 -6.280 -2.541 -7.648 1.00 0.52 H new ATOM 0 HB3 LEU A 20 -7.835 -2.915 -6.930 1.00 0.52 H new ATOM 0 HG LEU A 20 -5.576 -2.192 -5.062 1.00 0.39 H new ATOM 0 HD11 LEU A 20 -6.080 0.218 -5.379 1.00 0.39 H new ATOM 0 HD12 LEU A 20 -5.447 -0.499 -6.880 1.00 0.39 H new ATOM 0 HD13 LEU A 20 -7.191 -0.188 -6.709 1.00 0.39 H new ATOM 0 HD21 LEU A 20 -7.465 -1.170 -3.821 1.00 0.65 H new ATOM 0 HD22 LEU A 20 -8.563 -1.561 -5.166 1.00 0.65 H new ATOM 0 HD23 LEU A 20 -7.814 -2.869 -4.219 1.00 0.65 H new ATOM 320 N ALA A 21 -5.805 -5.238 -8.494 1.00 0.50 N ATOM 321 CA ALA A 21 -6.063 -6.179 -9.622 1.00 0.55 C ATOM 322 C ALA A 21 -5.528 -7.574 -9.283 1.00 0.49 C ATOM 323 O ALA A 21 -5.798 -8.531 -9.981 1.00 0.58 O ATOM 324 CB ALA A 21 -5.366 -5.657 -10.878 1.00 0.90 C ATOM 0 H ALA A 21 -5.005 -4.617 -8.615 1.00 0.50 H new ATOM 0 HA ALA A 21 -7.137 -6.247 -9.793 1.00 0.55 H new ATOM 0 HB1 ALA A 21 -5.550 -6.340 -11.707 1.00 0.90 H new ATOM 0 HB2 ALA A 21 -5.756 -4.670 -11.127 1.00 0.90 H new ATOM 0 HB3 ALA A 21 -4.293 -5.588 -10.697 1.00 0.90 H new ATOM 330 N GLU A 22 -4.781 -7.659 -8.217 1.00 0.48 N ATOM 331 CA GLU A 22 -4.223 -8.983 -7.819 1.00 0.66 C ATOM 332 C GLU A 22 -5.267 -9.775 -7.025 1.00 0.61 C ATOM 333 O GLU A 22 -5.478 -10.947 -7.271 1.00 0.83 O ATOM 334 CB GLU A 22 -2.979 -8.765 -6.956 1.00 0.80 C ATOM 335 CG GLU A 22 -2.016 -9.937 -7.162 1.00 1.51 C ATOM 336 CD GLU A 22 -0.816 -9.775 -6.225 1.00 1.61 C ATOM 337 OE1 GLU A 22 -0.946 -8.974 -5.314 1.00 2.14 O ATOM 338 OE2 GLU A 22 0.161 -10.461 -6.474 1.00 1.97 O ATOM 0 H GLU A 22 -4.534 -6.878 -7.609 1.00 0.48 H new ATOM 0 HA GLU A 22 -3.957 -9.546 -8.713 1.00 0.66 H new ATOM 0 HB2 GLU A 22 -2.493 -7.827 -7.226 1.00 0.80 H new ATOM 0 HB3 GLU A 22 -3.259 -8.688 -5.905 1.00 0.80 H new ATOM 0 HG2 GLU A 22 -2.524 -10.880 -6.961 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.681 -9.970 -8.199 1.00 1.51 H new ATOM 345 N HIS A 23 -5.896 -9.113 -6.089 1.00 0.51 N ATOM 346 CA HIS A 23 -6.935 -9.802 -5.265 1.00 0.74 C ATOM 347 C HIS A 23 -8.334 -9.392 -5.735 1.00 0.67 C ATOM 348 O HIS A 23 -9.305 -9.569 -5.027 1.00 0.83 O ATOM 349 CB HIS A 23 -6.754 -9.404 -3.801 1.00 0.98 C ATOM 350 CG HIS A 23 -5.262 -9.382 -3.461 1.00 0.99 C ATOM 351 ND1 HIS A 23 -4.471 -10.339 -3.634 1.00 1.30 N ATOM 352 CD2 HIS A 23 -4.495 -8.368 -2.918 1.00 0.80 C ATOM 353 CE1 HIS A 23 -3.294 -10.039 -3.260 1.00 1.36 C ATOM 354 NE2 HIS A 23 -3.215 -8.797 -2.787 1.00 1.00 N ATOM 0 H HIS A 23 -5.737 -8.132 -5.860 1.00 0.51 H new ATOM 0 HA HIS A 23 -6.826 -10.881 -5.374 1.00 0.74 H new ATOM 0 HB2 HIS A 23 -7.193 -8.423 -3.622 1.00 0.98 H new ATOM 0 HB3 HIS A 23 -7.275 -10.109 -3.154 1.00 0.98 H new ATOM 0 HD2 HIS A 23 -4.858 -7.389 -2.642 1.00 0.80 H new ATOM 0 HE1 HIS A 23 -2.454 -10.715 -3.319 1.00 1.36 H new ATOM 0 HE2 HIS A 23 -2.404 -8.298 -2.422 1.00 1.00 H new ATOM 362 N ASN A 24 -8.404 -8.858 -6.927 1.00 0.63 N ATOM 363 CA ASN A 24 -9.727 -8.420 -7.465 1.00 0.65 C ATOM 364 C ASN A 24 -10.525 -7.690 -6.373 1.00 0.79 C ATOM 365 O ASN A 24 -11.225 -8.302 -5.591 1.00 1.42 O ATOM 366 CB ASN A 24 -10.505 -9.648 -7.955 1.00 0.74 C ATOM 367 CG ASN A 24 -9.629 -10.895 -7.811 1.00 2.35 C ATOM 368 OD1 ASN A 24 -8.444 -10.902 -8.356 1.00 3.50 O flip ATOM 369 ND2 ASN A 24 -10.017 -11.872 -7.202 1.00 2.75 N flip ATOM 0 H ASN A 24 -7.609 -8.707 -7.547 1.00 0.63 H new ATOM 0 HA ASN A 24 -9.571 -7.734 -8.298 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -11.422 -9.766 -7.378 1.00 0.74 H new ATOM 0 HB3 ASN A 24 -10.799 -9.515 -8.996 1.00 0.74 H new ATOM 0 HD21 ASN A 24 -10.943 -11.872 -6.774 1.00 2.75 H new ATOM 0 HD22 ASN A 24 -9.417 -12.693 -7.119 1.00 2.75 H new ATOM 376 N LEU A 25 -10.386 -6.390 -6.343 1.00 0.38 N ATOM 377 CA LEU A 25 -11.118 -5.588 -5.314 1.00 0.43 C ATOM 378 C LEU A 25 -11.713 -4.331 -5.956 1.00 0.44 C ATOM 379 O LEU A 25 -11.148 -3.779 -6.880 1.00 0.72 O ATOM 380 CB LEU A 25 -10.138 -5.175 -4.212 1.00 0.61 C ATOM 381 CG LEU A 25 -9.645 -6.426 -3.468 1.00 1.28 C ATOM 382 CD1 LEU A 25 -8.561 -6.016 -2.469 1.00 1.43 C ATOM 383 CD2 LEU A 25 -10.807 -7.079 -2.708 1.00 1.60 C ATOM 0 H LEU A 25 -9.802 -5.850 -6.982 1.00 0.38 H new ATOM 0 HA LEU A 25 -11.923 -6.190 -4.893 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -9.293 -4.640 -4.644 1.00 0.61 H new ATOM 0 HB3 LEU A 25 -10.625 -4.493 -3.515 1.00 0.61 H new ATOM 0 HG LEU A 25 -9.244 -7.138 -4.189 1.00 1.28 H new ATOM 0 HD11 LEU A 25 -8.205 -6.898 -1.936 1.00 1.43 H new ATOM 0 HD12 LEU A 25 -7.730 -5.555 -3.003 1.00 1.43 H new ATOM 0 HD13 LEU A 25 -8.975 -5.303 -1.756 1.00 1.43 H new ATOM 0 HD21 LEU A 25 -10.447 -7.965 -2.184 1.00 1.60 H new ATOM 0 HD22 LEU A 25 -11.213 -6.371 -1.986 1.00 1.60 H new ATOM 0 HD23 LEU A 25 -11.587 -7.366 -3.413 1.00 1.60 H new ATOM 395 N ASP A 26 -12.838 -3.906 -5.453 1.00 0.64 N ATOM 396 CA ASP A 26 -13.482 -2.686 -6.025 1.00 0.77 C ATOM 397 C ASP A 26 -13.100 -1.451 -5.199 1.00 0.50 C ATOM 398 O ASP A 26 -13.670 -1.196 -4.155 1.00 0.39 O ATOM 399 CB ASP A 26 -15.000 -2.869 -6.012 1.00 1.18 C ATOM 400 CG ASP A 26 -15.330 -4.361 -5.948 1.00 2.45 C ATOM 401 OD1 ASP A 26 -14.875 -5.056 -6.841 1.00 2.48 O ATOM 402 OD2 ASP A 26 -16.020 -4.723 -5.008 1.00 3.59 O ATOM 0 H ASP A 26 -13.337 -4.344 -4.679 1.00 0.64 H new ATOM 0 HA ASP A 26 -13.138 -2.541 -7.049 1.00 0.77 H new ATOM 0 HB2 ASP A 26 -15.433 -2.352 -5.155 1.00 1.18 H new ATOM 0 HB3 ASP A 26 -15.439 -2.426 -6.906 1.00 1.18 H new ATOM 407 N ALA A 27 -12.138 -0.712 -5.681 1.00 0.51 N ATOM 408 CA ALA A 27 -11.713 0.508 -4.939 1.00 0.42 C ATOM 409 C ALA A 27 -12.887 1.486 -4.825 1.00 0.39 C ATOM 410 O ALA A 27 -12.877 2.381 -4.003 1.00 0.38 O ATOM 411 CB ALA A 27 -10.563 1.176 -5.691 1.00 0.67 C ATOM 0 H ALA A 27 -11.633 -0.898 -6.547 1.00 0.51 H new ATOM 0 HA ALA A 27 -11.386 0.227 -3.938 1.00 0.42 H new ATOM 0 HB1 ALA A 27 -10.247 2.070 -5.153 1.00 0.67 H new ATOM 0 HB2 ALA A 27 -9.725 0.482 -5.766 1.00 0.67 H new ATOM 0 HB3 ALA A 27 -10.895 1.453 -6.692 1.00 0.67 H new ATOM 417 N SER A 28 -13.876 1.292 -5.656 1.00 0.49 N ATOM 418 CA SER A 28 -15.060 2.197 -5.611 1.00 0.46 C ATOM 419 C SER A 28 -15.629 2.246 -4.190 1.00 0.19 C ATOM 420 O SER A 28 -15.975 3.299 -3.693 1.00 0.33 O ATOM 421 CB SER A 28 -16.127 1.672 -6.569 1.00 0.71 C ATOM 422 OG SER A 28 -17.156 2.649 -6.513 1.00 1.49 O ATOM 0 H SER A 28 -13.916 0.553 -6.358 1.00 0.49 H new ATOM 0 HA SER A 28 -14.758 3.202 -5.907 1.00 0.46 H new ATOM 0 HB2 SER A 28 -15.735 1.563 -7.580 1.00 0.71 H new ATOM 0 HB3 SER A 28 -16.491 0.692 -6.261 1.00 0.71 H new ATOM 0 HG SER A 28 -17.889 2.387 -7.108 1.00 1.49 H new ATOM 428 N ALA A 29 -15.711 1.102 -3.567 1.00 0.25 N ATOM 429 CA ALA A 29 -16.251 1.063 -2.177 1.00 0.28 C ATOM 430 C ALA A 29 -15.267 1.737 -1.216 1.00 0.36 C ATOM 431 O ALA A 29 -15.659 2.288 -0.208 1.00 0.62 O ATOM 432 CB ALA A 29 -16.457 -0.392 -1.760 1.00 0.60 C ATOM 0 H ALA A 29 -15.431 0.201 -3.955 1.00 0.25 H new ATOM 0 HA ALA A 29 -17.202 1.595 -2.143 1.00 0.28 H new ATOM 0 HB1 ALA A 29 -16.852 -0.427 -0.745 1.00 0.60 H new ATOM 0 HB2 ALA A 29 -17.163 -0.869 -2.440 1.00 0.60 H new ATOM 0 HB3 ALA A 29 -15.504 -0.920 -1.797 1.00 0.60 H new ATOM 438 N ILE A 30 -14.008 1.676 -1.554 1.00 0.33 N ATOM 439 CA ILE A 30 -12.982 2.310 -0.676 1.00 0.67 C ATOM 440 C ILE A 30 -12.818 3.789 -1.050 1.00 0.93 C ATOM 441 O ILE A 30 -13.459 4.274 -1.961 1.00 0.87 O ATOM 442 CB ILE A 30 -11.642 1.582 -0.867 1.00 0.62 C ATOM 443 CG1 ILE A 30 -11.857 0.061 -0.718 1.00 0.42 C ATOM 444 CG2 ILE A 30 -10.618 2.082 0.175 1.00 0.97 C ATOM 445 CD1 ILE A 30 -12.563 -0.248 0.610 1.00 0.74 C ATOM 0 H ILE A 30 -13.647 1.219 -2.392 1.00 0.33 H new ATOM 0 HA ILE A 30 -13.299 2.239 0.365 1.00 0.67 H new ATOM 0 HB ILE A 30 -11.255 1.791 -1.864 1.00 0.62 H new ATOM 0 HG12 ILE A 30 -12.453 -0.312 -1.551 1.00 0.42 H new ATOM 0 HG13 ILE A 30 -10.897 -0.455 -0.757 1.00 0.42 H new ATOM 0 HG21 ILE A 30 -9.671 1.561 0.033 1.00 0.97 H new ATOM 0 HG22 ILE A 30 -10.465 3.154 0.050 1.00 0.97 H new ATOM 0 HG23 ILE A 30 -10.994 1.884 1.179 1.00 0.97 H new ATOM 0 HD11 ILE A 30 -12.709 -1.324 0.703 1.00 0.74 H new ATOM 0 HD12 ILE A 30 -11.951 0.108 1.439 1.00 0.74 H new ATOM 0 HD13 ILE A 30 -13.531 0.252 0.632 1.00 0.74 H new ATOM 457 N LYS A 31 -11.963 4.472 -0.337 1.00 1.74 N ATOM 458 CA LYS A 31 -11.744 5.919 -0.637 1.00 2.06 C ATOM 459 C LYS A 31 -10.261 6.269 -0.475 1.00 2.07 C ATOM 460 O LYS A 31 -9.584 5.717 0.370 1.00 1.98 O ATOM 461 CB LYS A 31 -12.576 6.762 0.328 1.00 2.27 C ATOM 462 CG LYS A 31 -13.768 7.358 -0.425 1.00 3.09 C ATOM 463 CD LYS A 31 -14.619 8.176 0.548 1.00 3.18 C ATOM 464 CE LYS A 31 -15.334 9.287 -0.224 1.00 4.56 C ATOM 465 NZ LYS A 31 -16.565 9.715 0.498 1.00 4.22 N ATOM 0 H LYS A 31 -11.411 4.096 0.434 1.00 1.74 H new ATOM 0 HA LYS A 31 -12.047 6.125 -1.664 1.00 2.06 H new ATOM 0 HB2 LYS A 31 -12.925 6.148 1.158 1.00 2.27 H new ATOM 0 HB3 LYS A 31 -11.965 7.558 0.755 1.00 2.27 H new ATOM 0 HG2 LYS A 31 -13.419 7.990 -1.241 1.00 3.09 H new ATOM 0 HG3 LYS A 31 -14.366 6.563 -0.871 1.00 3.09 H new ATOM 0 HD2 LYS A 31 -15.347 7.533 1.043 1.00 3.18 H new ATOM 0 HD3 LYS A 31 -13.990 8.605 1.328 1.00 3.18 H new ATOM 0 HE2 LYS A 31 -14.665 10.138 -0.351 1.00 4.56 H new ATOM 0 HE3 LYS A 31 -15.595 8.935 -1.222 1.00 4.56 H new ATOM 0 HZ1 LYS A 31 -17.038 10.469 -0.039 1.00 4.22 H new ATOM 0 HZ2 LYS A 31 -17.209 8.904 0.597 1.00 4.22 H new ATOM 0 HZ3 LYS A 31 -16.308 10.070 1.441 1.00 4.22 H new ATOM 479 N GLY A 32 -9.794 7.180 -1.293 1.00 2.18 N ATOM 480 CA GLY A 32 -8.359 7.588 -1.213 1.00 2.21 C ATOM 481 C GLY A 32 -8.243 9.106 -1.065 1.00 2.78 C ATOM 482 O GLY A 32 -8.254 9.830 -2.039 1.00 3.45 O ATOM 0 H GLY A 32 -10.342 7.656 -2.009 1.00 2.18 H new ATOM 0 HA2 GLY A 32 -7.881 7.096 -0.366 1.00 2.21 H new ATOM 0 HA3 GLY A 32 -7.831 7.262 -2.109 1.00 2.21 H new ATOM 486 N THR A 33 -8.134 9.555 0.155 1.00 2.61 N ATOM 487 CA THR A 33 -8.015 11.024 0.388 1.00 3.21 C ATOM 488 C THR A 33 -6.561 11.470 0.206 1.00 3.35 C ATOM 489 O THR A 33 -6.216 12.084 -0.784 1.00 4.62 O ATOM 490 CB THR A 33 -8.473 11.346 1.812 1.00 3.46 C ATOM 491 OG1 THR A 33 -7.796 10.401 2.634 1.00 3.17 O ATOM 492 CG2 THR A 33 -9.960 11.054 2.003 1.00 3.43 C ATOM 0 H THR A 33 -8.122 8.975 0.994 1.00 2.61 H new ATOM 0 HA THR A 33 -8.640 11.553 -0.331 1.00 3.21 H new ATOM 0 HB THR A 33 -8.277 12.395 2.037 1.00 3.46 H new ATOM 0 HG1 THR A 33 -8.041 10.548 3.571 1.00 3.17 H new ATOM 0 HG21 THR A 33 -10.250 11.295 3.026 1.00 3.43 H new ATOM 0 HG22 THR A 33 -10.542 11.660 1.309 1.00 3.43 H new ATOM 0 HG23 THR A 33 -10.151 9.998 1.811 1.00 3.43 H new ATOM 500 N GLY A 34 -5.739 11.148 1.168 1.00 2.24 N ATOM 501 CA GLY A 34 -4.306 11.544 1.068 1.00 2.27 C ATOM 502 C GLY A 34 -4.185 13.009 0.645 1.00 2.62 C ATOM 503 O GLY A 34 -5.169 13.719 0.573 1.00 2.81 O ATOM 0 H GLY A 34 -5.995 10.633 2.011 1.00 2.24 H new ATOM 0 HA2 GLY A 34 -3.813 11.395 2.029 1.00 2.27 H new ATOM 0 HA3 GLY A 34 -3.796 10.907 0.345 1.00 2.27 H new ATOM 507 N VAL A 35 -2.981 13.430 0.374 1.00 2.74 N ATOM 508 CA VAL A 35 -2.779 14.848 -0.046 1.00 3.12 C ATOM 509 C VAL A 35 -2.919 14.972 -1.566 1.00 3.63 C ATOM 510 O VAL A 35 -1.962 15.257 -2.259 1.00 4.33 O ATOM 511 CB VAL A 35 -1.382 15.300 0.377 1.00 2.81 C ATOM 512 CG1 VAL A 35 -1.262 16.813 0.179 1.00 3.02 C ATOM 513 CG2 VAL A 35 -1.171 14.968 1.855 1.00 2.41 C ATOM 0 H VAL A 35 -2.135 12.862 0.424 1.00 2.74 H new ATOM 0 HA VAL A 35 -3.532 15.476 0.430 1.00 3.12 H new ATOM 0 HB VAL A 35 -0.631 14.788 -0.225 1.00 2.81 H new ATOM 0 HG11 VAL A 35 -0.267 17.141 0.479 1.00 3.02 H new ATOM 0 HG12 VAL A 35 -1.423 17.056 -0.871 1.00 3.02 H new ATOM 0 HG13 VAL A 35 -2.011 17.320 0.788 1.00 3.02 H new ATOM 0 HG21 VAL A 35 -0.175 15.289 2.161 1.00 2.41 H new ATOM 0 HG22 VAL A 35 -1.920 15.486 2.455 1.00 2.41 H new ATOM 0 HG23 VAL A 35 -1.267 13.893 2.004 1.00 2.41 H new ATOM 523 N GLY A 36 -4.111 14.753 -2.053 1.00 3.38 N ATOM 524 CA GLY A 36 -4.331 14.854 -3.523 1.00 3.96 C ATOM 525 C GLY A 36 -5.419 13.874 -3.968 1.00 3.73 C ATOM 526 O GLY A 36 -6.360 14.249 -4.638 1.00 3.40 O ATOM 0 H GLY A 36 -4.934 14.511 -1.502 1.00 3.38 H new ATOM 0 HA2 GLY A 36 -4.620 15.872 -3.785 1.00 3.96 H new ATOM 0 HA3 GLY A 36 -3.402 14.641 -4.052 1.00 3.96 H new ATOM 530 N GLY A 37 -5.267 12.636 -3.583 1.00 3.95 N ATOM 531 CA GLY A 37 -6.282 11.618 -3.974 1.00 3.76 C ATOM 532 C GLY A 37 -5.609 10.269 -4.237 1.00 3.40 C ATOM 533 O GLY A 37 -6.001 9.540 -5.125 1.00 3.55 O ATOM 0 H GLY A 37 -4.491 12.288 -3.020 1.00 3.95 H new ATOM 0 HA2 GLY A 37 -7.025 11.513 -3.183 1.00 3.76 H new ATOM 0 HA3 GLY A 37 -6.812 11.948 -4.868 1.00 3.76 H new ATOM 537 N ARG A 38 -4.606 9.967 -3.457 1.00 2.99 N ATOM 538 CA ARG A 38 -3.894 8.669 -3.649 1.00 2.75 C ATOM 539 C ARG A 38 -4.454 7.611 -2.693 1.00 2.16 C ATOM 540 O ARG A 38 -4.917 7.926 -1.615 1.00 1.78 O ATOM 541 CB ARG A 38 -2.405 8.871 -3.370 1.00 2.77 C ATOM 542 CG ARG A 38 -1.843 9.893 -4.361 1.00 2.83 C ATOM 543 CD ARG A 38 -0.317 9.782 -4.386 1.00 3.36 C ATOM 544 NE ARG A 38 0.061 8.427 -4.878 1.00 4.10 N ATOM 545 CZ ARG A 38 -0.234 8.084 -6.102 1.00 4.62 C ATOM 546 NH1 ARG A 38 0.605 8.375 -7.058 1.00 5.34 N ATOM 547 NH2 ARG A 38 -1.359 7.461 -6.328 1.00 4.82 N ATOM 0 H ARG A 38 -4.251 10.555 -2.703 1.00 2.99 H new ATOM 0 HA ARG A 38 -4.038 8.328 -4.674 1.00 2.75 H new ATOM 0 HB2 ARG A 38 -2.258 9.219 -2.347 1.00 2.77 H new ATOM 0 HB3 ARG A 38 -1.873 7.924 -3.464 1.00 2.77 H new ATOM 0 HG2 ARG A 38 -2.249 9.714 -5.356 1.00 2.83 H new ATOM 0 HG3 ARG A 38 -2.142 10.901 -4.072 1.00 2.83 H new ATOM 0 HD2 ARG A 38 0.106 10.550 -5.034 1.00 3.36 H new ATOM 0 HD3 ARG A 38 0.089 9.948 -3.388 1.00 3.36 H new ATOM 0 HE ARG A 38 0.546 7.773 -4.263 1.00 4.10 H new ATOM 0 HH11 ARG A 38 1.475 8.863 -6.842 1.00 5.34 H new ATOM 0 HH12 ARG A 38 0.391 8.115 -8.021 1.00 5.34 H new ATOM 0 HH21 ARG A 38 -1.990 7.251 -5.555 1.00 4.82 H new ATOM 0 HH22 ARG A 38 -1.607 7.185 -7.278 1.00 4.82 H new ATOM 561 N LEU A 39 -4.400 6.377 -3.112 1.00 2.21 N ATOM 562 CA LEU A 39 -4.923 5.282 -2.242 1.00 1.68 C ATOM 563 C LEU A 39 -3.813 4.774 -1.314 1.00 1.42 C ATOM 564 O LEU A 39 -2.880 4.131 -1.752 1.00 1.87 O ATOM 565 CB LEU A 39 -5.418 4.137 -3.134 1.00 1.82 C ATOM 566 CG LEU A 39 -6.067 3.042 -2.270 1.00 1.30 C ATOM 567 CD1 LEU A 39 -7.309 3.602 -1.566 1.00 0.87 C ATOM 568 CD2 LEU A 39 -6.484 1.879 -3.173 1.00 1.45 C ATOM 0 H LEU A 39 -4.020 6.079 -4.011 1.00 2.21 H new ATOM 0 HA LEU A 39 -5.744 5.658 -1.631 1.00 1.68 H new ATOM 0 HB2 LEU A 39 -6.139 4.515 -3.859 1.00 1.82 H new ATOM 0 HB3 LEU A 39 -4.585 3.720 -3.700 1.00 1.82 H new ATOM 0 HG LEU A 39 -5.353 2.699 -1.521 1.00 1.30 H new ATOM 0 HD11 LEU A 39 -7.764 2.822 -0.956 1.00 0.87 H new ATOM 0 HD12 LEU A 39 -7.020 4.438 -0.930 1.00 0.87 H new ATOM 0 HD13 LEU A 39 -8.027 3.944 -2.312 1.00 0.87 H new ATOM 0 HD21 LEU A 39 -6.945 1.097 -2.570 1.00 1.45 H new ATOM 0 HD22 LEU A 39 -7.199 2.233 -3.916 1.00 1.45 H new ATOM 0 HD23 LEU A 39 -5.605 1.477 -3.678 1.00 1.45 H new ATOM 580 N THR A 40 -3.938 5.076 -0.050 1.00 0.94 N ATOM 581 CA THR A 40 -2.896 4.625 0.919 1.00 0.86 C ATOM 582 C THR A 40 -3.150 3.173 1.342 1.00 0.86 C ATOM 583 O THR A 40 -4.050 2.527 0.845 1.00 0.80 O ATOM 584 CB THR A 40 -2.936 5.529 2.154 1.00 0.58 C ATOM 585 OG1 THR A 40 -3.859 4.899 3.037 1.00 0.60 O ATOM 586 CG2 THR A 40 -3.548 6.889 1.834 1.00 0.21 C ATOM 0 H THR A 40 -4.708 5.610 0.352 1.00 0.94 H new ATOM 0 HA THR A 40 -1.917 4.685 0.442 1.00 0.86 H new ATOM 0 HB THR A 40 -1.928 5.668 2.545 1.00 0.58 H new ATOM 0 HG1 THR A 40 -3.936 5.426 3.860 1.00 0.60 H new ATOM 0 HG21 THR A 40 -3.560 7.504 2.734 1.00 0.21 H new ATOM 0 HG22 THR A 40 -2.954 7.383 1.065 1.00 0.21 H new ATOM 0 HG23 THR A 40 -4.568 6.753 1.474 1.00 0.21 H new ATOM 594 N ARG A 41 -2.346 2.696 2.253 1.00 0.99 N ATOM 595 CA ARG A 41 -2.518 1.289 2.723 1.00 1.12 C ATOM 596 C ARG A 41 -3.587 1.223 3.820 1.00 0.90 C ATOM 597 O ARG A 41 -4.279 0.234 3.957 1.00 0.89 O ATOM 598 CB ARG A 41 -1.185 0.784 3.276 1.00 1.60 C ATOM 599 CG ARG A 41 -1.316 -0.697 3.645 1.00 1.93 C ATOM 600 CD ARG A 41 0.022 -1.197 4.191 1.00 2.20 C ATOM 601 NE ARG A 41 0.202 -0.680 5.576 1.00 3.53 N ATOM 602 CZ ARG A 41 1.278 -0.995 6.244 1.00 3.78 C ATOM 603 NH1 ARG A 41 2.013 -1.986 5.823 1.00 3.02 N ATOM 604 NH2 ARG A 41 1.583 -0.306 7.310 1.00 4.94 N ATOM 0 H ARG A 41 -1.583 3.213 2.690 1.00 0.99 H new ATOM 0 HA ARG A 41 -2.836 0.666 1.887 1.00 1.12 H new ATOM 0 HB2 ARG A 41 -0.397 0.917 2.535 1.00 1.60 H new ATOM 0 HB3 ARG A 41 -0.899 1.365 4.153 1.00 1.60 H new ATOM 0 HG2 ARG A 41 -2.100 -0.831 4.390 1.00 1.93 H new ATOM 0 HG3 ARG A 41 -1.606 -1.278 2.770 1.00 1.93 H new ATOM 0 HD2 ARG A 41 0.046 -2.287 4.189 1.00 2.20 H new ATOM 0 HD3 ARG A 41 0.839 -0.859 3.554 1.00 2.20 H new ATOM 0 HE ARG A 41 -0.510 -0.085 5.999 1.00 3.53 H new ATOM 0 HH11 ARG A 41 1.744 -2.501 4.985 1.00 3.02 H new ATOM 0 HH12 ARG A 41 2.858 -2.247 6.332 1.00 3.02 H new ATOM 0 HH21 ARG A 41 0.984 0.464 7.608 1.00 4.94 H new ATOM 0 HH22 ARG A 41 2.420 -0.538 7.845 1.00 4.94 H new ATOM 618 N GLU A 42 -3.696 2.279 4.580 1.00 0.88 N ATOM 619 CA GLU A 42 -4.711 2.291 5.675 1.00 0.99 C ATOM 620 C GLU A 42 -6.117 2.480 5.095 1.00 0.88 C ATOM 621 O GLU A 42 -6.968 3.088 5.715 1.00 1.57 O ATOM 622 CB GLU A 42 -4.397 3.439 6.632 1.00 1.12 C ATOM 623 CG GLU A 42 -3.112 3.117 7.397 1.00 0.92 C ATOM 624 CD GLU A 42 -2.178 4.328 7.351 1.00 1.38 C ATOM 625 OE1 GLU A 42 -1.584 4.514 6.301 1.00 2.01 O ATOM 626 OE2 GLU A 42 -2.110 4.999 8.367 1.00 2.06 O ATOM 0 H GLU A 42 -3.134 3.126 4.493 1.00 0.88 H new ATOM 0 HA GLU A 42 -4.676 1.340 6.207 1.00 0.99 H new ATOM 0 HB2 GLU A 42 -4.281 4.370 6.077 1.00 1.12 H new ATOM 0 HB3 GLU A 42 -5.223 3.584 7.329 1.00 1.12 H new ATOM 0 HG2 GLU A 42 -3.345 2.862 8.431 1.00 0.92 H new ATOM 0 HG3 GLU A 42 -2.622 2.248 6.957 1.00 0.92 H new ATOM 633 N ASP A 43 -6.326 1.955 3.913 1.00 0.24 N ATOM 634 CA ASP A 43 -7.668 2.086 3.265 1.00 0.42 C ATOM 635 C ASP A 43 -8.151 0.718 2.770 1.00 0.33 C ATOM 636 O ASP A 43 -9.321 0.402 2.855 1.00 0.71 O ATOM 637 CB ASP A 43 -7.556 3.045 2.082 1.00 0.68 C ATOM 638 CG ASP A 43 -7.518 4.484 2.601 1.00 0.80 C ATOM 639 OD1 ASP A 43 -7.308 4.624 3.794 1.00 0.64 O ATOM 640 OD2 ASP A 43 -7.702 5.363 1.774 1.00 1.85 O ATOM 0 H ASP A 43 -5.629 1.444 3.371 1.00 0.24 H new ATOM 0 HA ASP A 43 -8.384 2.471 3.991 1.00 0.42 H new ATOM 0 HB2 ASP A 43 -6.655 2.829 1.508 1.00 0.68 H new ATOM 0 HB3 ASP A 43 -8.403 2.911 1.409 1.00 0.68 H new ATOM 645 N VAL A 44 -7.236 -0.064 2.266 1.00 0.19 N ATOM 646 CA VAL A 44 -7.621 -1.415 1.760 1.00 0.30 C ATOM 647 C VAL A 44 -7.343 -2.480 2.827 1.00 0.37 C ATOM 648 O VAL A 44 -7.802 -3.601 2.725 1.00 0.40 O ATOM 649 CB VAL A 44 -6.807 -1.728 0.506 1.00 0.48 C ATOM 650 CG1 VAL A 44 -7.570 -2.740 -0.350 1.00 0.18 C ATOM 651 CG2 VAL A 44 -6.603 -0.442 -0.296 1.00 0.77 C ATOM 0 H VAL A 44 -6.247 0.170 2.182 1.00 0.19 H new ATOM 0 HA VAL A 44 -8.686 -1.421 1.526 1.00 0.30 H new ATOM 0 HB VAL A 44 -5.839 -2.142 0.789 1.00 0.48 H new ATOM 0 HG11 VAL A 44 -6.993 -2.967 -1.246 1.00 0.18 H new ATOM 0 HG12 VAL A 44 -7.727 -3.655 0.221 1.00 0.18 H new ATOM 0 HG13 VAL A 44 -8.535 -2.321 -0.636 1.00 0.18 H new ATOM 0 HG21 VAL A 44 -6.022 -0.660 -1.192 1.00 0.77 H new ATOM 0 HG22 VAL A 44 -7.572 -0.034 -0.582 1.00 0.77 H new ATOM 0 HG23 VAL A 44 -6.069 0.286 0.314 1.00 0.77 H new ATOM 661 N GLU A 45 -6.594 -2.107 3.829 1.00 0.59 N ATOM 662 CA GLU A 45 -6.274 -3.086 4.910 1.00 0.78 C ATOM 663 C GLU A 45 -7.565 -3.649 5.516 1.00 0.59 C ATOM 664 O GLU A 45 -7.796 -4.841 5.494 1.00 0.44 O ATOM 665 CB GLU A 45 -5.467 -2.383 5.998 1.00 1.23 C ATOM 666 CG GLU A 45 -5.339 -3.313 7.206 1.00 1.99 C ATOM 667 CD GLU A 45 -4.127 -2.894 8.040 1.00 1.95 C ATOM 668 OE1 GLU A 45 -3.763 -1.736 7.922 1.00 2.21 O ATOM 669 OE2 GLU A 45 -3.634 -3.756 8.749 1.00 2.22 O ATOM 0 H GLU A 45 -6.193 -1.177 3.947 1.00 0.59 H new ATOM 0 HA GLU A 45 -5.695 -3.908 4.489 1.00 0.78 H new ATOM 0 HB2 GLU A 45 -4.479 -2.118 5.621 1.00 1.23 H new ATOM 0 HB3 GLU A 45 -5.957 -1.454 6.289 1.00 1.23 H new ATOM 0 HG2 GLU A 45 -6.244 -3.269 7.811 1.00 1.99 H new ATOM 0 HG3 GLU A 45 -5.228 -4.345 6.875 1.00 1.99 H new ATOM 676 N LYS A 46 -8.378 -2.776 6.046 1.00 0.73 N ATOM 677 CA LYS A 46 -9.657 -3.241 6.658 1.00 0.83 C ATOM 678 C LYS A 46 -10.673 -3.583 5.564 1.00 0.68 C ATOM 679 O LYS A 46 -11.841 -3.268 5.679 1.00 1.14 O ATOM 680 CB LYS A 46 -10.217 -2.132 7.547 1.00 1.06 C ATOM 681 CG LYS A 46 -10.942 -2.761 8.739 1.00 2.25 C ATOM 682 CD LYS A 46 -11.572 -1.652 9.584 1.00 2.47 C ATOM 683 CE LYS A 46 -12.003 -2.233 10.932 1.00 3.30 C ATOM 684 NZ LYS A 46 -10.839 -2.843 11.633 1.00 3.19 N ATOM 0 H LYS A 46 -8.215 -1.770 6.082 1.00 0.73 H new ATOM 0 HA LYS A 46 -9.467 -4.134 7.253 1.00 0.83 H new ATOM 0 HB2 LYS A 46 -9.411 -1.487 7.896 1.00 1.06 H new ATOM 0 HB3 LYS A 46 -10.903 -1.505 6.978 1.00 1.06 H new ATOM 0 HG2 LYS A 46 -11.711 -3.451 8.390 1.00 2.25 H new ATOM 0 HG3 LYS A 46 -10.243 -3.341 9.341 1.00 2.25 H new ATOM 0 HD2 LYS A 46 -10.858 -0.842 9.735 1.00 2.47 H new ATOM 0 HD3 LYS A 46 -12.431 -1.227 9.066 1.00 2.47 H new ATOM 0 HE2 LYS A 46 -12.437 -1.448 11.551 1.00 3.30 H new ATOM 0 HE3 LYS A 46 -12.778 -2.984 10.780 1.00 3.30 H new ATOM 0 HZ1 LYS A 46 -11.014 -2.846 12.658 1.00 3.19 H new ATOM 0 HZ2 LYS A 46 -10.707 -3.820 11.301 1.00 3.19 H new ATOM 0 HZ3 LYS A 46 -9.982 -2.290 11.430 1.00 3.19 H new ATOM 698 N HIS A 47 -10.206 -4.220 4.525 1.00 0.51 N ATOM 699 CA HIS A 47 -11.131 -4.591 3.414 1.00 0.49 C ATOM 700 C HIS A 47 -10.732 -5.947 2.821 1.00 0.73 C ATOM 701 O HIS A 47 -11.576 -6.730 2.434 1.00 0.98 O ATOM 702 CB HIS A 47 -11.063 -3.520 2.327 1.00 0.28 C ATOM 703 CG HIS A 47 -11.883 -3.975 1.118 1.00 1.01 C ATOM 704 ND1 HIS A 47 -13.049 -3.594 0.856 1.00 1.54 N ATOM 705 CD2 HIS A 47 -11.549 -4.850 0.102 1.00 1.48 C ATOM 706 CE1 HIS A 47 -13.482 -4.134 -0.209 1.00 2.10 C ATOM 707 NE2 HIS A 47 -12.590 -4.952 -0.761 1.00 2.11 N ATOM 0 H HIS A 47 -9.233 -4.498 4.397 1.00 0.51 H new ATOM 0 HA HIS A 47 -12.147 -4.663 3.803 1.00 0.49 H new ATOM 0 HB2 HIS A 47 -11.449 -2.574 2.707 1.00 0.28 H new ATOM 0 HB3 HIS A 47 -10.027 -3.347 2.034 1.00 0.28 H new ATOM 0 HD1 HIS A 47 -13.581 -2.935 1.425 1.00 1.54 H new ATOM 0 HD2 HIS A 47 -10.607 -5.371 0.010 1.00 1.48 H new ATOM 0 HE1 HIS A 47 -14.464 -3.950 -0.620 1.00 2.10 H new ATOM 715 N LEU A 48 -9.451 -6.193 2.762 1.00 0.66 N ATOM 716 CA LEU A 48 -8.980 -7.491 2.196 1.00 0.94 C ATOM 717 C LEU A 48 -9.729 -8.657 2.850 1.00 1.49 C ATOM 718 O LEU A 48 -9.518 -8.962 4.007 1.00 0.71 O ATOM 719 CB LEU A 48 -7.481 -7.638 2.455 1.00 0.38 C ATOM 720 CG LEU A 48 -6.705 -6.976 1.315 1.00 0.77 C ATOM 721 CD1 LEU A 48 -5.346 -6.504 1.838 1.00 0.96 C ATOM 722 CD2 LEU A 48 -6.486 -7.994 0.195 1.00 1.22 C ATOM 0 H LEU A 48 -8.717 -5.559 3.077 1.00 0.66 H new ATOM 0 HA LEU A 48 -9.174 -7.505 1.123 1.00 0.94 H new ATOM 0 HB2 LEU A 48 -7.217 -7.176 3.406 1.00 0.38 H new ATOM 0 HB3 LEU A 48 -7.214 -8.692 2.528 1.00 0.38 H new ATOM 0 HG LEU A 48 -7.269 -6.125 0.933 1.00 0.77 H new ATOM 0 HD11 LEU A 48 -4.789 -6.031 1.029 1.00 0.96 H new ATOM 0 HD12 LEU A 48 -5.496 -5.785 2.644 1.00 0.96 H new ATOM 0 HD13 LEU A 48 -4.784 -7.359 2.214 1.00 0.96 H new ATOM 0 HD21 LEU A 48 -5.933 -7.526 -0.619 1.00 1.22 H new ATOM 0 HD22 LEU A 48 -5.918 -8.841 0.579 1.00 1.22 H new ATOM 0 HD23 LEU A 48 -7.451 -8.342 -0.174 1.00 1.22 H new ATOM 734 N ALA A 49 -10.590 -9.284 2.095 1.00 2.93 N ATOM 735 CA ALA A 49 -11.360 -10.432 2.658 1.00 3.70 C ATOM 736 C ALA A 49 -10.407 -11.562 3.062 1.00 3.61 C ATOM 737 O ALA A 49 -9.453 -11.851 2.366 1.00 4.12 O ATOM 738 CB ALA A 49 -12.338 -10.943 1.601 1.00 5.29 C ATOM 0 H ALA A 49 -10.793 -9.055 1.122 1.00 2.93 H new ATOM 0 HA ALA A 49 -11.906 -10.100 3.541 1.00 3.70 H new ATOM 0 HB1 ALA A 49 -12.905 -11.782 2.005 1.00 5.29 H new ATOM 0 HB2 ALA A 49 -13.024 -10.143 1.323 1.00 5.29 H new ATOM 0 HB3 ALA A 49 -11.784 -11.269 0.721 1.00 5.29 H new ATOM 744 N LYS A 50 -10.685 -12.175 4.181 1.00 3.31 N ATOM 745 CA LYS A 50 -9.804 -13.288 4.645 1.00 3.57 C ATOM 746 C LYS A 50 -9.495 -14.238 3.483 1.00 5.09 C ATOM 747 O LYS A 50 -8.373 -14.672 3.314 1.00 5.69 O ATOM 748 CB LYS A 50 -10.516 -14.057 5.758 1.00 3.53 C ATOM 749 CG LYS A 50 -9.485 -14.513 6.792 1.00 3.38 C ATOM 750 CD LYS A 50 -10.148 -15.491 7.763 1.00 4.13 C ATOM 751 CE LYS A 50 -9.090 -16.040 8.724 1.00 4.50 C ATOM 752 NZ LYS A 50 -8.165 -14.956 9.158 1.00 3.82 N ATOM 0 H LYS A 50 -11.475 -11.957 4.789 1.00 3.31 H new ATOM 0 HA LYS A 50 -8.868 -12.874 5.019 1.00 3.57 H new ATOM 0 HB2 LYS A 50 -11.268 -13.424 6.230 1.00 3.53 H new ATOM 0 HB3 LYS A 50 -11.039 -14.919 5.344 1.00 3.53 H new ATOM 0 HG2 LYS A 50 -8.640 -14.991 6.295 1.00 3.38 H new ATOM 0 HG3 LYS A 50 -9.091 -13.654 7.334 1.00 3.38 H new ATOM 0 HD2 LYS A 50 -10.938 -14.989 8.321 1.00 4.13 H new ATOM 0 HD3 LYS A 50 -10.616 -16.308 7.213 1.00 4.13 H new ATOM 0 HE2 LYS A 50 -9.575 -16.482 9.594 1.00 4.50 H new ATOM 0 HE3 LYS A 50 -8.525 -16.834 8.237 1.00 4.50 H new ATOM 0 HZ1 LYS A 50 -7.672 -15.247 10.027 1.00 3.82 H new ATOM 0 HZ2 LYS A 50 -7.467 -14.774 8.409 1.00 3.82 H new ATOM 0 HZ3 LYS A 50 -8.709 -14.089 9.342 1.00 3.82 H new ATOM 766 N ALA A 51 -10.500 -14.541 2.708 1.00 6.00 N ATOM 767 CA ALA A 51 -10.282 -15.461 1.553 1.00 7.49 C ATOM 768 C ALA A 51 -11.514 -15.467 0.642 1.00 8.65 C ATOM 769 O ALA A 51 -11.349 -15.052 -0.493 1.00 9.65 O ATOM 770 CB ALA A 51 -10.032 -16.873 2.080 1.00 7.92 C ATOM 771 OXT ALA A 51 -12.550 -15.884 1.134 1.00 8.71 O ATOM 0 H ALA A 51 -11.453 -14.196 2.821 1.00 6.00 H new ATOM 0 HA ALA A 51 -9.421 -15.120 0.979 1.00 7.49 H new ATOM 0 HB1 ALA A 51 -9.872 -17.551 1.242 1.00 7.92 H new ATOM 0 HB2 ALA A 51 -9.149 -16.872 2.720 1.00 7.92 H new ATOM 0 HB3 ALA A 51 -10.896 -17.205 2.655 1.00 7.92 H new TER 777 ALA A 51