USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 779 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 3 SER OG : rot 99:sc= 0.993 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0.831 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 156:sc= -0.0934 (180deg=-0.857) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 158:sc= 1.26 USER MOD Single : A 23 THR OG1 : rot -17:sc= 0.943 USER MOD Single : A 25 GLN : amide:sc= 0.136 K(o=0.14,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 1.32 (180deg=0.454) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 36 CYS SG : rot -127:sc= 0.663 USER MOD Single : A 37 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.98) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc=-0.000194 (180deg=-0.12) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.93) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0094 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -154:sc= -0.169 (180deg=-1.14) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 172:sc= 0 (180deg=-0.00399) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.202 F(o=-1.3!,f=-0.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.193 F(o=-0.97,f=-0.19) USER MOD Single : A 90 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.32) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00251 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -4:sc= 0.431 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.654 -15.454 -25.820 1.00 0.00 N ATOM 2 CA GLY A 1 -1.974 -14.872 -26.064 1.00 0.00 C ATOM 3 C GLY A 1 -1.847 -13.644 -26.941 1.00 0.00 C ATOM 4 O GLY A 1 -1.821 -13.773 -28.162 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.752 -16.296 -25.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.221 -15.725 -26.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.049 -14.755 -25.343 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.621 -15.606 -26.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.443 -14.605 -25.117 1.00 0.00 H new ATOM 8 N SER A 2 -1.758 -12.458 -26.338 1.00 0.00 N ATOM 9 CA SER A 2 -1.605 -11.195 -27.045 1.00 0.00 C ATOM 10 C SER A 2 -0.588 -10.370 -26.259 1.00 0.00 C ATOM 11 O SER A 2 0.614 -10.507 -26.494 1.00 0.00 O ATOM 12 CB SER A 2 -2.988 -10.550 -27.233 1.00 0.00 C ATOM 13 OG SER A 2 -2.884 -9.344 -27.950 1.00 0.00 O ATOM 0 H SER A 2 -1.791 -12.351 -25.324 1.00 0.00 H new ATOM 0 HA SER A 2 -1.215 -11.301 -28.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.646 -11.238 -27.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.442 -10.362 -26.260 1.00 0.00 H new ATOM 0 HG SER A 2 -3.775 -8.951 -28.060 1.00 0.00 H new ATOM 19 N SER A 3 -1.037 -9.614 -25.257 1.00 0.00 N ATOM 20 CA SER A 3 -0.182 -8.992 -24.263 1.00 0.00 C ATOM 21 C SER A 3 0.638 -10.051 -23.523 1.00 0.00 C ATOM 22 O SER A 3 0.195 -11.195 -23.391 1.00 0.00 O ATOM 23 CB SER A 3 -1.077 -8.196 -23.298 1.00 0.00 C ATOM 24 OG SER A 3 -2.312 -8.852 -23.014 1.00 0.00 O ATOM 0 H SER A 3 -2.028 -9.417 -25.116 1.00 0.00 H new ATOM 0 HA SER A 3 0.529 -8.317 -24.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.538 -8.029 -22.366 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.283 -7.216 -23.727 1.00 0.00 H new ATOM 0 HG SER A 3 -2.246 -9.314 -22.152 1.00 0.00 H new ATOM 30 N GLY A 4 1.777 -9.650 -22.958 1.00 0.00 N ATOM 31 CA GLY A 4 2.531 -10.381 -21.953 1.00 0.00 C ATOM 32 C GLY A 4 1.824 -10.209 -20.614 1.00 0.00 C ATOM 33 O GLY A 4 2.332 -9.550 -19.701 1.00 0.00 O ATOM 0 H GLY A 4 2.216 -8.763 -23.204 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.594 -11.437 -22.217 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.553 -10.005 -21.895 1.00 0.00 H new ATOM 37 N SER A 5 0.608 -10.741 -20.532 1.00 0.00 N ATOM 38 CA SER A 5 -0.210 -10.814 -19.339 1.00 0.00 C ATOM 39 C SER A 5 0.450 -11.821 -18.395 1.00 0.00 C ATOM 40 O SER A 5 0.328 -13.031 -18.593 1.00 0.00 O ATOM 41 CB SER A 5 -1.624 -11.237 -19.752 1.00 0.00 C ATOM 42 OG SER A 5 -2.250 -10.227 -20.534 1.00 0.00 O ATOM 0 H SER A 5 0.148 -11.153 -21.343 1.00 0.00 H new ATOM 0 HA SER A 5 -0.290 -9.857 -18.823 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.578 -12.166 -20.320 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.222 -11.437 -18.863 1.00 0.00 H new ATOM 0 HG SER A 5 -3.150 -10.520 -20.787 1.00 0.00 H new ATOM 48 N SER A 6 1.233 -11.331 -17.436 1.00 0.00 N ATOM 49 CA SER A 6 1.966 -12.127 -16.471 1.00 0.00 C ATOM 50 C SER A 6 2.257 -11.192 -15.305 1.00 0.00 C ATOM 51 O SER A 6 3.067 -10.278 -15.465 1.00 0.00 O ATOM 52 CB SER A 6 3.270 -12.614 -17.125 1.00 0.00 C ATOM 53 OG SER A 6 3.858 -13.720 -16.468 1.00 0.00 O ATOM 0 H SER A 6 1.375 -10.329 -17.310 1.00 0.00 H new ATOM 0 HA SER A 6 1.413 -13.004 -16.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.067 -12.884 -18.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.985 -11.792 -17.144 1.00 0.00 H new ATOM 0 HG SER A 6 4.680 -13.979 -16.935 1.00 0.00 H new ATOM 59 N GLY A 7 1.626 -11.385 -14.149 1.00 0.00 N ATOM 60 CA GLY A 7 1.899 -10.585 -12.971 1.00 0.00 C ATOM 61 C GLY A 7 0.635 -10.358 -12.175 1.00 0.00 C ATOM 62 O GLY A 7 0.038 -11.315 -11.679 1.00 0.00 O ATOM 0 H GLY A 7 0.913 -12.101 -14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.641 -11.086 -12.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.325 -9.627 -13.267 1.00 0.00 H new ATOM 66 N GLN A 8 0.247 -9.085 -12.077 1.00 0.00 N ATOM 67 CA GLN A 8 -0.769 -8.586 -11.164 1.00 0.00 C ATOM 68 C GLN A 8 -0.496 -9.042 -9.720 1.00 0.00 C ATOM 69 O GLN A 8 0.558 -9.586 -9.392 1.00 0.00 O ATOM 70 CB GLN A 8 -2.177 -8.924 -11.708 1.00 0.00 C ATOM 71 CG GLN A 8 -2.488 -8.069 -12.948 1.00 0.00 C ATOM 72 CD GLN A 8 -3.764 -8.477 -13.679 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.413 -9.470 -13.365 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.173 -7.702 -14.671 1.00 0.00 N ATOM 0 H GLN A 8 0.651 -8.349 -12.656 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.726 -7.498 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.231 -9.982 -11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.926 -8.744 -10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.573 -7.025 -12.645 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.649 -8.133 -13.640 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.632 -6.877 -14.930 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.029 -7.930 -15.176 1.00 0.00 H new ATOM 83 N TYR A 9 -1.430 -8.736 -8.822 1.00 0.00 N ATOM 84 CA TYR A 9 -1.311 -9.008 -7.397 1.00 0.00 C ATOM 85 C TYR A 9 -1.111 -10.497 -7.113 1.00 0.00 C ATOM 86 O TYR A 9 -0.461 -10.822 -6.126 1.00 0.00 O ATOM 87 CB TYR A 9 -2.543 -8.461 -6.660 1.00 0.00 C ATOM 88 CG TYR A 9 -3.877 -8.818 -7.290 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.398 -8.021 -8.330 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.582 -9.958 -6.863 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.589 -8.388 -8.974 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.801 -10.305 -7.474 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.299 -9.532 -8.549 1.00 0.00 C ATOM 94 OH TYR A 9 -7.483 -9.852 -9.130 1.00 0.00 O ATOM 0 H TYR A 9 -2.308 -8.282 -9.073 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.421 -8.499 -7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.530 -8.834 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.463 -7.375 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.878 -7.124 -8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.187 -10.568 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.963 -7.795 -9.795 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.357 -11.162 -7.122 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.838 -10.668 -8.721 1.00 0.00 H new ATOM 104 N GLU A 10 -1.637 -11.385 -7.963 1.00 0.00 N ATOM 105 CA GLU A 10 -1.512 -12.832 -7.833 1.00 0.00 C ATOM 106 C GLU A 10 -0.041 -13.238 -7.726 1.00 0.00 C ATOM 107 O GLU A 10 0.347 -13.818 -6.714 1.00 0.00 O ATOM 108 CB GLU A 10 -2.208 -13.521 -9.016 1.00 0.00 C ATOM 109 CG GLU A 10 -3.738 -13.476 -8.897 1.00 0.00 C ATOM 110 CD GLU A 10 -4.402 -14.154 -10.097 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.355 -13.595 -11.219 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.973 -15.257 -9.953 1.00 0.00 O ATOM 0 H GLU A 10 -2.176 -11.104 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.003 -13.155 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.904 -13.039 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.880 -14.559 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.049 -13.971 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.071 -12.440 -8.830 1.00 0.00 H new ATOM 119 N LEU A 11 0.777 -12.884 -8.726 1.00 0.00 N ATOM 120 CA LEU A 11 2.210 -13.193 -8.779 1.00 0.00 C ATOM 121 C LEU A 11 2.881 -12.815 -7.460 1.00 0.00 C ATOM 122 O LEU A 11 3.610 -13.605 -6.852 1.00 0.00 O ATOM 123 CB LEU A 11 2.818 -12.440 -9.984 1.00 0.00 C ATOM 124 CG LEU A 11 4.273 -12.730 -10.421 1.00 0.00 C ATOM 125 CD1 LEU A 11 5.415 -12.168 -9.573 1.00 0.00 C ATOM 126 CD2 LEU A 11 4.509 -14.214 -10.619 1.00 0.00 C ATOM 0 H LEU A 11 0.452 -12.362 -9.540 1.00 0.00 H new ATOM 0 HA LEU A 11 2.373 -14.262 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.176 -12.632 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.750 -11.374 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 11 4.324 -12.169 -11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.370 -12.458 -10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.345 -11.081 -9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.345 -12.564 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.542 -14.380 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.319 -14.741 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.836 -14.590 -11.390 1.00 0.00 H new ATOM 138 N TYR A 12 2.612 -11.589 -7.019 1.00 0.00 N ATOM 139 CA TYR A 12 3.278 -10.983 -5.883 1.00 0.00 C ATOM 140 C TYR A 12 2.751 -11.538 -4.554 1.00 0.00 C ATOM 141 O TYR A 12 3.404 -11.348 -3.528 1.00 0.00 O ATOM 142 CB TYR A 12 3.114 -9.456 -5.923 1.00 0.00 C ATOM 143 CG TYR A 12 3.138 -8.738 -7.261 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.890 -9.242 -8.332 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.399 -7.553 -7.430 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.825 -8.656 -9.607 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.384 -6.901 -8.674 1.00 0.00 C ATOM 148 CZ TYR A 12 3.083 -7.457 -9.771 1.00 0.00 C ATOM 149 OH TYR A 12 3.031 -6.798 -10.959 1.00 0.00 O ATOM 0 H TYR A 12 1.914 -10.984 -7.451 1.00 0.00 H new ATOM 0 HA TYR A 12 4.337 -11.232 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.167 -9.216 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.904 -9.026 -5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.531 -10.097 -8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.841 -7.143 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.330 -9.109 -10.447 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.839 -5.976 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 12 2.470 -6.000 -10.866 1.00 0.00 H new ATOM 159 N MET A 13 1.595 -12.214 -4.544 1.00 0.00 N ATOM 160 CA MET A 13 1.034 -12.884 -3.393 1.00 0.00 C ATOM 161 C MET A 13 1.836 -14.140 -3.054 1.00 0.00 C ATOM 162 O MET A 13 1.887 -14.535 -1.886 1.00 0.00 O ATOM 163 CB MET A 13 -0.407 -13.290 -3.740 1.00 0.00 C ATOM 164 CG MET A 13 -1.316 -13.249 -2.522 1.00 0.00 C ATOM 165 SD MET A 13 -1.788 -11.617 -1.865 1.00 0.00 S ATOM 166 CE MET A 13 -2.598 -10.911 -3.329 1.00 0.00 C ATOM 0 H MET A 13 1.012 -12.305 -5.376 1.00 0.00 H new ATOM 0 HA MET A 13 1.061 -12.215 -2.533 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.798 -12.622 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.410 -14.295 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.231 -13.787 -2.769 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.827 -13.803 -1.721 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.300 -10.137 -3.019 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.846 -10.476 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.136 -11.696 -3.861 1.00 0.00 H new ATOM 176 N TYR A 14 2.401 -14.807 -4.065 1.00 0.00 N ATOM 177 CA TYR A 14 3.103 -16.076 -3.907 1.00 0.00 C ATOM 178 C TYR A 14 4.559 -15.845 -3.525 1.00 0.00 C ATOM 179 O TYR A 14 5.108 -16.547 -2.672 1.00 0.00 O ATOM 180 CB TYR A 14 3.060 -16.875 -5.216 1.00 0.00 C ATOM 181 CG TYR A 14 1.731 -16.905 -5.942 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.544 -17.196 -5.246 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.689 -16.631 -7.321 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.691 -17.185 -5.917 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.460 -16.645 -8.004 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.736 -16.917 -7.301 1.00 0.00 C ATOM 187 OH TYR A 14 -1.934 -16.950 -7.944 1.00 0.00 O ATOM 0 H TYR A 14 2.381 -14.472 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 14 2.605 -16.634 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.810 -16.464 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.355 -17.902 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.582 -17.429 -4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.601 -16.410 -7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.604 -17.381 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.430 -16.448 -9.065 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.802 -16.743 -8.893 1.00 0.00 H new ATOM 197 N ARG A 15 5.198 -14.900 -4.215 1.00 0.00 N ATOM 198 CA ARG A 15 6.574 -14.497 -4.013 1.00 0.00 C ATOM 199 C ARG A 15 6.546 -13.290 -3.081 1.00 0.00 C ATOM 200 O ARG A 15 5.739 -13.246 -2.151 1.00 0.00 O ATOM 201 CB ARG A 15 7.202 -14.307 -5.411 1.00 0.00 C ATOM 202 CG ARG A 15 8.662 -14.783 -5.480 1.00 0.00 C ATOM 203 CD ARG A 15 9.685 -13.750 -4.972 1.00 0.00 C ATOM 204 NE ARG A 15 11.091 -14.151 -5.161 1.00 0.00 N ATOM 205 CZ ARG A 15 11.770 -15.108 -4.514 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.223 -15.817 -3.538 1.00 0.00 N ATOM 207 NH2 ARG A 15 13.012 -15.394 -4.887 1.00 0.00 N ATOM 0 H ARG A 15 4.742 -14.376 -4.962 1.00 0.00 H new ATOM 0 HA ARG A 15 7.217 -15.224 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.612 -14.854 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.155 -13.253 -5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.763 -15.697 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.901 -15.038 -6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.516 -12.804 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.509 -13.572 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 15 11.611 -13.637 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.258 -15.641 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.767 -16.539 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.442 -14.887 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.536 -16.121 -4.400 1.00 0.00 H new ATOM 221 N GLU A 16 7.455 -12.347 -3.267 1.00 0.00 N ATOM 222 CA GLU A 16 7.617 -11.175 -2.433 1.00 0.00 C ATOM 223 C GLU A 16 8.229 -10.037 -3.240 1.00 0.00 C ATOM 224 O GLU A 16 8.641 -10.225 -4.390 1.00 0.00 O ATOM 225 CB GLU A 16 8.452 -11.530 -1.190 1.00 0.00 C ATOM 226 CG GLU A 16 9.801 -12.231 -1.375 1.00 0.00 C ATOM 227 CD GLU A 16 9.677 -13.713 -0.993 1.00 0.00 C ATOM 228 OE1 GLU A 16 9.699 -14.006 0.226 1.00 0.00 O ATOM 229 OE2 GLU A 16 9.497 -14.580 -1.871 1.00 0.00 O ATOM 0 H GLU A 16 8.125 -12.382 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 16 6.643 -10.832 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.634 -10.606 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.837 -12.164 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.129 -12.140 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.559 -11.749 -0.757 1.00 0.00 H new ATOM 236 N VAL A 17 8.299 -8.865 -2.620 1.00 0.00 N ATOM 237 CA VAL A 17 8.815 -7.617 -3.156 1.00 0.00 C ATOM 238 C VAL A 17 9.867 -7.109 -2.162 1.00 0.00 C ATOM 239 O VAL A 17 9.818 -7.455 -0.978 1.00 0.00 O ATOM 240 CB VAL A 17 7.624 -6.650 -3.379 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.781 -6.468 -2.108 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.018 -5.259 -3.892 1.00 0.00 C ATOM 0 H VAL A 17 7.972 -8.757 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 17 9.301 -7.724 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 17 7.041 -7.141 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.958 -5.783 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.381 -7.433 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.405 -6.060 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.122 -4.651 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.683 -4.781 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.529 -5.356 -4.850 1.00 0.00 H new ATOM 252 N ASP A 18 10.808 -6.276 -2.609 1.00 0.00 N ATOM 253 CA ASP A 18 11.652 -5.522 -1.692 1.00 0.00 C ATOM 254 C ASP A 18 10.907 -4.246 -1.347 1.00 0.00 C ATOM 255 O ASP A 18 10.805 -3.342 -2.183 1.00 0.00 O ATOM 256 CB ASP A 18 13.060 -5.236 -2.253 1.00 0.00 C ATOM 257 CG ASP A 18 14.111 -5.992 -1.436 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.011 -6.010 -0.186 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.986 -6.645 -2.039 1.00 0.00 O ATOM 0 H ASP A 18 11.001 -6.109 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 18 11.836 -6.116 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.113 -5.539 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.263 -4.166 -2.221 1.00 0.00 H new ATOM 264 N THR A 19 10.320 -4.192 -0.151 1.00 0.00 N ATOM 265 CA THR A 19 9.446 -3.096 0.243 1.00 0.00 C ATOM 266 C THR A 19 10.197 -1.760 0.344 1.00 0.00 C ATOM 267 O THR A 19 9.576 -0.705 0.246 1.00 0.00 O ATOM 268 CB THR A 19 8.736 -3.444 1.560 1.00 0.00 C ATOM 269 OG1 THR A 19 9.669 -3.731 2.577 1.00 0.00 O ATOM 270 CG2 THR A 19 7.801 -4.650 1.411 1.00 0.00 C ATOM 0 H THR A 19 10.439 -4.906 0.567 1.00 0.00 H new ATOM 0 HA THR A 19 8.696 -2.965 -0.537 1.00 0.00 H new ATOM 0 HB THR A 19 8.146 -2.568 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.246 -3.609 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.321 -4.859 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.039 -4.430 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.377 -5.520 1.096 1.00 0.00 H new ATOM 278 N LEU A 20 11.523 -1.769 0.518 1.00 0.00 N ATOM 279 CA LEU A 20 12.323 -0.554 0.535 1.00 0.00 C ATOM 280 C LEU A 20 12.305 0.085 -0.845 1.00 0.00 C ATOM 281 O LEU A 20 11.761 1.179 -0.993 1.00 0.00 O ATOM 282 CB LEU A 20 13.762 -0.870 0.983 1.00 0.00 C ATOM 283 CG LEU A 20 14.051 -0.491 2.441 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.939 1.027 2.657 1.00 0.00 C ATOM 285 CD2 LEU A 20 13.161 -1.271 3.418 1.00 0.00 C ATOM 0 H LEU A 20 12.066 -2.622 0.650 1.00 0.00 H new ATOM 0 HA LEU A 20 11.899 0.152 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.949 -1.936 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.460 -0.341 0.334 1.00 0.00 H new ATOM 0 HG LEU A 20 15.082 -0.775 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.150 1.263 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.657 1.540 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.931 1.357 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.396 -0.974 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.114 -1.054 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.340 -2.340 3.300 1.00 0.00 H new ATOM 297 N GLU A 21 12.842 -0.635 -1.829 1.00 0.00 N ATOM 298 CA GLU A 21 12.875 -0.282 -3.241 1.00 0.00 C ATOM 299 C GLU A 21 11.484 0.128 -3.706 1.00 0.00 C ATOM 300 O GLU A 21 11.322 1.179 -4.313 1.00 0.00 O ATOM 301 CB GLU A 21 13.476 -1.472 -4.009 1.00 0.00 C ATOM 302 CG GLU A 21 13.277 -1.524 -5.534 1.00 0.00 C ATOM 303 CD GLU A 21 13.991 -0.429 -6.343 1.00 0.00 C ATOM 304 OE1 GLU A 21 14.180 0.705 -5.853 1.00 0.00 O ATOM 305 OE2 GLU A 21 14.333 -0.683 -7.521 1.00 0.00 O ATOM 0 H GLU A 21 13.291 -1.533 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 21 13.508 0.584 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.548 -1.489 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.059 -2.386 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.619 -2.495 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.209 -1.465 -5.744 1.00 0.00 H new ATOM 312 N LEU A 22 10.455 -0.629 -3.322 1.00 0.00 N ATOM 313 CA LEU A 22 9.075 -0.280 -3.612 1.00 0.00 C ATOM 314 C LEU A 22 8.757 1.154 -3.177 1.00 0.00 C ATOM 315 O LEU A 22 8.346 1.963 -4.002 1.00 0.00 O ATOM 316 CB LEU A 22 8.153 -1.290 -2.925 1.00 0.00 C ATOM 317 CG LEU A 22 6.665 -0.940 -3.067 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.230 -1.022 -4.515 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.855 -1.899 -2.212 1.00 0.00 C ATOM 0 H LEU A 22 10.561 -1.500 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 22 8.913 -0.321 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.329 -2.279 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.408 -1.345 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 22 6.499 0.083 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.172 -0.770 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.814 -0.321 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.390 -2.034 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.795 -1.662 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.028 -2.921 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.160 -1.803 -1.170 1.00 0.00 H new ATOM 331 N THR A 23 8.917 1.482 -1.889 1.00 0.00 N ATOM 332 CA THR A 23 8.567 2.818 -1.400 1.00 0.00 C ATOM 333 C THR A 23 9.412 3.898 -2.089 1.00 0.00 C ATOM 334 O THR A 23 8.922 4.996 -2.356 1.00 0.00 O ATOM 335 CB THR A 23 8.675 2.910 0.130 1.00 0.00 C ATOM 336 OG1 THR A 23 9.962 2.610 0.631 1.00 0.00 O ATOM 337 CG2 THR A 23 7.668 1.962 0.767 1.00 0.00 C ATOM 0 H THR A 23 9.281 0.850 -1.177 1.00 0.00 H new ATOM 0 HA THR A 23 7.523 2.998 -1.659 1.00 0.00 H new ATOM 0 HB THR A 23 8.467 3.948 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.479 2.139 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.744 2.026 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.661 2.239 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.878 0.941 0.449 1.00 0.00 H new ATOM 345 N ARG A 24 10.676 3.585 -2.380 1.00 0.00 N ATOM 346 CA ARG A 24 11.578 4.446 -3.158 1.00 0.00 C ATOM 347 C ARG A 24 10.984 4.773 -4.534 1.00 0.00 C ATOM 348 O ARG A 24 10.704 5.951 -4.797 1.00 0.00 O ATOM 349 CB ARG A 24 12.996 3.834 -3.282 1.00 0.00 C ATOM 350 CG ARG A 24 14.018 4.479 -2.328 1.00 0.00 C ATOM 351 CD ARG A 24 14.153 3.751 -0.983 1.00 0.00 C ATOM 352 NE ARG A 24 14.640 4.636 0.096 1.00 0.00 N ATOM 353 CZ ARG A 24 15.850 5.209 0.209 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.830 4.982 -0.656 1.00 0.00 N ATOM 355 NH2 ARG A 24 16.073 6.044 1.216 1.00 0.00 N ATOM 0 H ARG A 24 11.111 2.713 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 24 11.683 5.383 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.943 2.765 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.345 3.946 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.992 4.504 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.727 5.513 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.185 3.337 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.838 2.911 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 24 13.977 4.836 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.679 4.352 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.734 5.438 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.332 6.242 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.986 6.488 1.318 1.00 0.00 H new ATOM 369 N GLN A 25 10.760 3.758 -5.371 1.00 0.00 N ATOM 370 CA GLN A 25 10.239 3.874 -6.734 1.00 0.00 C ATOM 371 C GLN A 25 8.893 4.604 -6.738 1.00 0.00 C ATOM 372 O GLN A 25 8.652 5.457 -7.602 1.00 0.00 O ATOM 373 CB GLN A 25 10.135 2.489 -7.382 1.00 0.00 C ATOM 374 CG GLN A 25 11.471 1.745 -7.506 1.00 0.00 C ATOM 375 CD GLN A 25 12.398 2.222 -8.623 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.965 2.691 -9.677 1.00 0.00 O ATOM 377 NE2 GLN A 25 13.696 2.057 -8.440 1.00 0.00 N ATOM 0 H GLN A 25 10.945 2.791 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 25 10.933 4.469 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.446 1.879 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.700 2.598 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.002 1.831 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.262 0.686 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.042 1.668 -7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.352 2.319 -9.176 1.00 0.00 H new ATOM 386 N VAL A 26 8.033 4.303 -5.760 1.00 0.00 N ATOM 387 CA VAL A 26 6.755 4.965 -5.509 1.00 0.00 C ATOM 388 C VAL A 26 6.983 6.471 -5.353 1.00 0.00 C ATOM 389 O VAL A 26 6.508 7.254 -6.182 1.00 0.00 O ATOM 390 CB VAL A 26 6.062 4.286 -4.309 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.906 5.083 -3.695 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.526 2.921 -4.764 1.00 0.00 C ATOM 0 H VAL A 26 8.221 3.555 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 26 6.071 4.857 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 26 6.819 4.204 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.483 4.525 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.276 6.045 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.136 5.247 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.033 2.427 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.811 3.063 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.353 2.303 -5.114 1.00 0.00 H new ATOM 402 N LYS A 27 7.733 6.885 -4.323 1.00 0.00 N ATOM 403 CA LYS A 27 7.984 8.289 -4.019 1.00 0.00 C ATOM 404 C LYS A 27 8.590 9.043 -5.199 1.00 0.00 C ATOM 405 O LYS A 27 8.322 10.237 -5.360 1.00 0.00 O ATOM 406 CB LYS A 27 8.898 8.368 -2.792 1.00 0.00 C ATOM 407 CG LYS A 27 8.141 8.042 -1.498 1.00 0.00 C ATOM 408 CD LYS A 27 9.095 8.056 -0.302 1.00 0.00 C ATOM 409 CE LYS A 27 9.979 6.805 -0.202 1.00 0.00 C ATOM 410 NZ LYS A 27 11.090 7.004 0.750 1.00 0.00 N ATOM 0 H LYS A 27 8.185 6.242 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 27 7.030 8.773 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.729 7.673 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.326 9.368 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.343 8.769 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.669 7.063 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.734 8.937 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.513 8.153 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.375 5.955 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.380 6.562 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.668 6.141 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.680 7.800 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.706 7.212 1.694 1.00 0.00 H new ATOM 424 N GLU A 28 9.389 8.372 -6.022 1.00 0.00 N ATOM 425 CA GLU A 28 9.978 8.916 -7.212 1.00 0.00 C ATOM 426 C GLU A 28 8.916 9.260 -8.267 1.00 0.00 C ATOM 427 O GLU A 28 8.861 10.405 -8.706 1.00 0.00 O ATOM 428 CB GLU A 28 11.031 7.893 -7.652 1.00 0.00 C ATOM 429 CG GLU A 28 12.115 8.552 -8.477 1.00 0.00 C ATOM 430 CD GLU A 28 11.912 8.426 -9.980 1.00 0.00 C ATOM 431 OE1 GLU A 28 10.774 8.437 -10.500 1.00 0.00 O ATOM 432 OE2 GLU A 28 12.921 8.135 -10.660 1.00 0.00 O ATOM 0 H GLU A 28 9.646 7.398 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 28 10.463 9.877 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.473 7.420 -6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.555 7.103 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.165 9.609 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.077 8.112 -8.212 1.00 0.00 H new ATOM 439 N LYS A 29 8.018 8.335 -8.643 1.00 0.00 N ATOM 440 CA LYS A 29 6.963 8.664 -9.622 1.00 0.00 C ATOM 441 C LYS A 29 5.998 9.722 -9.074 1.00 0.00 C ATOM 442 O LYS A 29 5.434 10.497 -9.840 1.00 0.00 O ATOM 443 CB LYS A 29 6.242 7.428 -10.121 1.00 0.00 C ATOM 444 CG LYS A 29 5.423 7.676 -11.402 1.00 0.00 C ATOM 445 CD LYS A 29 5.054 6.325 -12.023 1.00 0.00 C ATOM 446 CE LYS A 29 6.064 5.812 -13.059 1.00 0.00 C ATOM 447 NZ LYS A 29 5.660 4.523 -13.668 1.00 0.00 N ATOM 0 H LYS A 29 7.997 7.376 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 29 7.454 9.102 -10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.973 6.642 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.577 7.063 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.522 8.243 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.000 8.271 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.959 5.586 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.076 6.410 -12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.182 6.558 -13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.037 5.694 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.504 3.940 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.017 4.021 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.175 4.702 -14.570 1.00 0.00 H new ATOM 461 N LEU A 30 5.811 9.791 -7.753 1.00 0.00 N ATOM 462 CA LEU A 30 4.996 10.832 -7.133 1.00 0.00 C ATOM 463 C LEU A 30 5.626 12.208 -7.260 1.00 0.00 C ATOM 464 O LEU A 30 4.901 13.190 -7.428 1.00 0.00 O ATOM 465 CB LEU A 30 4.814 10.539 -5.648 1.00 0.00 C ATOM 466 CG LEU A 30 3.872 9.366 -5.379 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.892 9.147 -3.872 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.477 9.686 -5.923 1.00 0.00 C ATOM 0 H LEU A 30 6.218 9.131 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 30 4.039 10.831 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.786 10.325 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.426 11.429 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 30 4.182 8.450 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.234 8.317 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.908 8.917 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.548 10.051 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.809 8.847 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.091 10.579 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.537 9.861 -6.997 1.00 0.00 H new ATOM 480 N ALA A 31 6.951 12.291 -7.159 1.00 0.00 N ATOM 481 CA ALA A 31 7.669 13.493 -7.562 1.00 0.00 C ATOM 482 C ALA A 31 7.418 13.748 -9.053 1.00 0.00 C ATOM 483 O ALA A 31 6.948 14.822 -9.414 1.00 0.00 O ATOM 484 CB ALA A 31 9.159 13.369 -7.236 1.00 0.00 C ATOM 0 H ALA A 31 7.545 11.542 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 31 7.301 14.352 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.676 14.277 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.286 13.227 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.578 12.514 -7.767 1.00 0.00 H new ATOM 490 N LYS A 32 7.650 12.738 -9.903 1.00 0.00 N ATOM 491 CA LYS A 32 7.522 12.819 -11.361 1.00 0.00 C ATOM 492 C LYS A 32 6.197 13.449 -11.793 1.00 0.00 C ATOM 493 O LYS A 32 6.198 14.373 -12.600 1.00 0.00 O ATOM 494 CB LYS A 32 7.719 11.427 -11.997 1.00 0.00 C ATOM 495 CG LYS A 32 8.363 11.500 -13.387 1.00 0.00 C ATOM 496 CD LYS A 32 8.240 10.157 -14.125 1.00 0.00 C ATOM 497 CE LYS A 32 9.145 10.156 -15.362 1.00 0.00 C ATOM 498 NZ LYS A 32 9.037 8.913 -16.155 1.00 0.00 N ATOM 0 H LYS A 32 7.941 11.814 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 32 8.310 13.479 -11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.343 10.818 -11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.754 10.927 -12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.884 12.285 -13.972 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.414 11.770 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.518 9.340 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.205 9.988 -14.421 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.889 11.007 -15.993 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.180 10.292 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.671 8.970 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.307 8.100 -15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.057 8.793 -16.481 1.00 0.00 H new ATOM 512 N ASN A 33 5.078 12.941 -11.278 1.00 0.00 N ATOM 513 CA ASN A 33 3.730 13.376 -11.643 1.00 0.00 C ATOM 514 C ASN A 33 3.209 14.487 -10.732 1.00 0.00 C ATOM 515 O ASN A 33 2.126 15.028 -10.968 1.00 0.00 O ATOM 516 CB ASN A 33 2.783 12.168 -11.580 1.00 0.00 C ATOM 517 CG ASN A 33 2.958 11.210 -12.749 1.00 0.00 C ATOM 518 OD1 ASN A 33 3.844 11.345 -13.595 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.110 10.206 -12.835 1.00 0.00 N ATOM 0 H ASN A 33 5.084 12.198 -10.579 1.00 0.00 H new ATOM 0 HA ASN A 33 3.771 13.783 -12.653 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.953 11.629 -10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.752 12.523 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.186 9.539 -13.603 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.377 10.096 -12.134 1.00 0.00 H new ATOM 526 N GLY A 34 3.953 14.822 -9.678 1.00 0.00 N ATOM 527 CA GLY A 34 3.621 15.833 -8.697 1.00 0.00 C ATOM 528 C GLY A 34 2.323 15.545 -7.942 1.00 0.00 C ATOM 529 O GLY A 34 1.413 16.374 -7.970 1.00 0.00 O ATOM 0 H GLY A 34 4.846 14.368 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.438 15.916 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.536 16.798 -9.196 1.00 0.00 H new ATOM 533 N ILE A 35 2.201 14.396 -7.267 1.00 0.00 N ATOM 534 CA ILE A 35 0.954 13.958 -6.621 1.00 0.00 C ATOM 535 C ILE A 35 1.165 13.861 -5.101 1.00 0.00 C ATOM 536 O ILE A 35 2.175 13.313 -4.647 1.00 0.00 O ATOM 537 CB ILE A 35 0.430 12.666 -7.280 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.076 12.939 -8.759 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.790 12.121 -6.510 1.00 0.00 C ATOM 540 CD1 ILE A 35 -0.253 11.670 -9.544 1.00 0.00 C ATOM 0 H ILE A 35 2.971 13.737 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 35 0.165 14.695 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 35 1.211 11.907 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.777 13.617 -8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.912 13.448 -9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.146 11.209 -6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.503 11.901 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.585 12.867 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.493 11.932 -10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.607 11.000 -9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.108 11.172 -9.088 1.00 0.00 H new ATOM 552 N CYS A 36 0.223 14.400 -4.318 1.00 0.00 N ATOM 553 CA CYS A 36 0.306 14.553 -2.866 1.00 0.00 C ATOM 554 C CYS A 36 0.086 13.246 -2.097 1.00 0.00 C ATOM 555 O CYS A 36 -0.952 12.602 -2.248 1.00 0.00 O ATOM 556 CB CYS A 36 -0.743 15.565 -2.401 1.00 0.00 C ATOM 557 SG CYS A 36 -0.081 17.245 -2.491 1.00 0.00 S ATOM 0 H CYS A 36 -0.654 14.756 -4.698 1.00 0.00 H new ATOM 0 HA CYS A 36 1.320 14.892 -2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.635 15.485 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.046 15.341 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.235 17.834 -1.342 1.00 0.00 H new ATOM 563 N GLN A 37 1.023 12.926 -1.200 1.00 0.00 N ATOM 564 CA GLN A 37 1.146 11.653 -0.478 1.00 0.00 C ATOM 565 C GLN A 37 -0.103 11.335 0.347 1.00 0.00 C ATOM 566 O GLN A 37 -0.618 10.213 0.311 1.00 0.00 O ATOM 567 CB GLN A 37 2.426 11.714 0.374 1.00 0.00 C ATOM 568 CG GLN A 37 3.679 11.661 -0.534 1.00 0.00 C ATOM 569 CD GLN A 37 4.823 12.587 -0.117 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.637 13.617 0.525 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.043 12.264 -0.495 1.00 0.00 N ATOM 0 H GLN A 37 1.758 13.584 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 37 1.226 10.829 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.435 12.630 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.443 10.882 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.051 10.637 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.382 11.912 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.202 11.409 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.828 12.869 -0.254 1.00 0.00 H new ATOM 580 N ARG A 38 -0.627 12.344 1.042 1.00 0.00 N ATOM 581 CA ARG A 38 -1.922 12.326 1.723 1.00 0.00 C ATOM 582 C ARG A 38 -3.058 11.786 0.836 1.00 0.00 C ATOM 583 O ARG A 38 -3.859 10.981 1.312 1.00 0.00 O ATOM 584 CB ARG A 38 -2.240 13.746 2.254 1.00 0.00 C ATOM 585 CG ARG A 38 -1.867 14.870 1.276 1.00 0.00 C ATOM 586 CD ARG A 38 -2.763 16.109 1.314 1.00 0.00 C ATOM 587 NE ARG A 38 -2.465 16.993 0.169 1.00 0.00 N ATOM 588 CZ ARG A 38 -3.112 18.117 -0.152 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.077 18.577 0.635 1.00 0.00 N ATOM 590 NH2 ARG A 38 -2.760 18.805 -1.232 1.00 0.00 N ATOM 0 H ARG A 38 -0.141 13.234 1.151 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.852 11.633 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.305 13.810 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.707 13.901 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.842 15.179 1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.881 14.465 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.811 15.809 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.609 16.649 2.248 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.690 16.719 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.325 18.072 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.570 19.435 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.994 18.476 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.256 19.663 -1.474 1.00 0.00 H new ATOM 604 N ILE A 39 -3.157 12.244 -0.413 1.00 0.00 N ATOM 605 CA ILE A 39 -4.266 11.956 -1.323 1.00 0.00 C ATOM 606 C ILE A 39 -4.057 10.576 -1.941 1.00 0.00 C ATOM 607 O ILE A 39 -5.022 9.822 -2.056 1.00 0.00 O ATOM 608 CB ILE A 39 -4.363 13.056 -2.411 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.634 14.436 -1.774 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.448 12.710 -3.448 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.648 15.580 -2.792 1.00 0.00 C ATOM 0 H ILE A 39 -2.446 12.844 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.208 11.953 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.405 13.103 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.593 14.408 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.871 14.637 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.496 13.497 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.203 11.763 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.414 12.625 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.844 16.521 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.681 15.634 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.429 15.400 -3.531 1.00 0.00 H new ATOM 623 N PHE A 40 -2.827 10.234 -2.341 1.00 0.00 N ATOM 624 CA PHE A 40 -2.514 8.890 -2.828 1.00 0.00 C ATOM 625 C PHE A 40 -2.956 7.856 -1.797 1.00 0.00 C ATOM 626 O PHE A 40 -3.653 6.894 -2.126 1.00 0.00 O ATOM 627 CB PHE A 40 -1.009 8.763 -3.096 1.00 0.00 C ATOM 628 CG PHE A 40 -0.504 7.345 -3.335 1.00 0.00 C ATOM 629 CD1 PHE A 40 -1.027 6.561 -4.380 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.500 6.802 -2.511 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.568 5.247 -4.582 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.962 5.490 -2.712 1.00 0.00 C ATOM 633 CZ PHE A 40 0.415 4.703 -3.739 1.00 0.00 C ATOM 0 H PHE A 40 -2.032 10.873 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.049 8.713 -3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.760 9.371 -3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.469 9.184 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.785 6.971 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.920 7.400 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.973 4.654 -5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.737 5.087 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.748 3.685 -3.880 1.00 0.00 H new ATOM 643 N GLY A 41 -2.561 8.077 -0.542 1.00 0.00 N ATOM 644 CA GLY A 41 -2.866 7.162 0.540 1.00 0.00 C ATOM 645 C GLY A 41 -4.364 6.985 0.739 1.00 0.00 C ATOM 646 O GLY A 41 -4.839 5.856 0.794 1.00 0.00 O ATOM 0 H GLY A 41 -2.023 8.895 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.412 6.193 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.420 7.532 1.463 1.00 0.00 H new ATOM 650 N GLU A 42 -5.110 8.085 0.774 1.00 0.00 N ATOM 651 CA GLU A 42 -6.563 8.067 0.843 1.00 0.00 C ATOM 652 C GLU A 42 -7.133 7.279 -0.339 1.00 0.00 C ATOM 653 O GLU A 42 -7.773 6.235 -0.171 1.00 0.00 O ATOM 654 CB GLU A 42 -7.065 9.524 0.839 1.00 0.00 C ATOM 655 CG GLU A 42 -7.187 10.093 2.252 1.00 0.00 C ATOM 656 CD GLU A 42 -8.520 9.769 2.915 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.712 8.625 3.377 1.00 0.00 O ATOM 658 OE2 GLU A 42 -9.356 10.697 2.996 1.00 0.00 O ATOM 0 H GLU A 42 -4.715 9.025 0.755 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.897 7.575 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.380 10.141 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.035 9.572 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.377 9.699 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.061 11.175 2.213 1.00 0.00 H new ATOM 665 N LYS A 43 -6.945 7.797 -1.550 1.00 0.00 N ATOM 666 CA LYS A 43 -7.781 7.437 -2.686 1.00 0.00 C ATOM 667 C LYS A 43 -7.332 6.161 -3.372 1.00 0.00 C ATOM 668 O LYS A 43 -8.189 5.426 -3.861 1.00 0.00 O ATOM 669 CB LYS A 43 -7.842 8.600 -3.667 1.00 0.00 C ATOM 670 CG LYS A 43 -8.503 9.813 -2.995 1.00 0.00 C ATOM 671 CD LYS A 43 -9.227 10.676 -4.026 1.00 0.00 C ATOM 672 CE LYS A 43 -10.171 11.660 -3.330 1.00 0.00 C ATOM 673 NZ LYS A 43 -11.380 10.979 -2.817 1.00 0.00 N ATOM 0 H LYS A 43 -6.213 8.473 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.782 7.232 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.837 8.860 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.407 8.311 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.209 9.474 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.747 10.408 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.500 11.223 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.792 10.041 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.649 12.146 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.462 12.443 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.099 11.688 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.759 10.345 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.134 10.424 -1.973 1.00 0.00 H new ATOM 687 N VAL A 44 -6.035 5.872 -3.412 1.00 0.00 N ATOM 688 CA VAL A 44 -5.546 4.590 -3.899 1.00 0.00 C ATOM 689 C VAL A 44 -5.494 3.626 -2.719 1.00 0.00 C ATOM 690 O VAL A 44 -6.174 2.606 -2.738 1.00 0.00 O ATOM 691 CB VAL A 44 -4.184 4.727 -4.612 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.729 3.364 -5.157 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.269 5.723 -5.782 1.00 0.00 C ATOM 0 H VAL A 44 -5.301 6.513 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.225 4.196 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.465 5.095 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.767 3.475 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.630 2.657 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.467 2.992 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.295 5.800 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.007 5.374 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.565 6.702 -5.406 1.00 0.00 H new ATOM 703 N LEU A 45 -4.661 3.918 -1.715 1.00 0.00 N ATOM 704 CA LEU A 45 -4.251 2.889 -0.761 1.00 0.00 C ATOM 705 C LEU A 45 -5.300 2.611 0.313 1.00 0.00 C ATOM 706 O LEU A 45 -5.172 1.605 1.007 1.00 0.00 O ATOM 707 CB LEU A 45 -2.904 3.236 -0.105 1.00 0.00 C ATOM 708 CG LEU A 45 -1.725 3.407 -1.085 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.474 3.813 -0.302 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.425 2.096 -1.803 1.00 0.00 C ATOM 0 H LEU A 45 -4.265 4.842 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.139 1.975 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.021 4.159 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.652 2.452 0.609 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.995 4.170 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.362 3.935 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.658 4.754 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.234 3.039 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.590 2.240 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.166 1.331 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.304 1.778 -2.363 1.00 0.00 H new ATOM 722 N GLY A 46 -6.323 3.452 0.471 1.00 0.00 N ATOM 723 CA GLY A 46 -7.335 3.254 1.496 1.00 0.00 C ATOM 724 C GLY A 46 -6.756 3.367 2.905 1.00 0.00 C ATOM 725 O GLY A 46 -7.188 2.621 3.786 1.00 0.00 O ATOM 0 H GLY A 46 -6.468 4.281 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.127 3.992 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.791 2.272 1.370 1.00 0.00 H new ATOM 729 N LEU A 47 -5.770 4.247 3.120 1.00 0.00 N ATOM 730 CA LEU A 47 -5.140 4.462 4.419 1.00 0.00 C ATOM 731 C LEU A 47 -5.079 5.948 4.730 1.00 0.00 C ATOM 732 O LEU A 47 -4.927 6.782 3.836 1.00 0.00 O ATOM 733 CB LEU A 47 -3.708 3.910 4.435 1.00 0.00 C ATOM 734 CG LEU A 47 -3.604 2.385 4.291 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.118 2.051 4.159 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.191 1.633 5.491 1.00 0.00 C ATOM 0 H LEU A 47 -5.385 4.836 2.382 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.739 3.941 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.145 4.376 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.230 4.206 5.369 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.179 2.072 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.995 0.973 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.710 2.550 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.588 2.391 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.089 0.559 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.656 1.919 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.246 1.886 5.598 1.00 0.00 H new ATOM 748 N SER A 48 -5.118 6.263 6.021 1.00 0.00 N ATOM 749 CA SER A 48 -5.000 7.611 6.525 1.00 0.00 C ATOM 750 C SER A 48 -3.585 8.142 6.297 1.00 0.00 C ATOM 751 O SER A 48 -2.613 7.387 6.220 1.00 0.00 O ATOM 752 CB SER A 48 -5.372 7.601 8.008 1.00 0.00 C ATOM 753 OG SER A 48 -6.663 7.040 8.151 1.00 0.00 O ATOM 0 H SER A 48 -5.236 5.566 6.756 1.00 0.00 H new ATOM 0 HA SER A 48 -5.677 8.279 5.993 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.644 7.022 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.355 8.615 8.408 1.00 0.00 H new ATOM 0 HG SER A 48 -6.911 7.027 9.099 1.00 0.00 H new ATOM 759 N GLN A 49 -3.481 9.468 6.215 1.00 0.00 N ATOM 760 CA GLN A 49 -2.263 10.185 5.853 1.00 0.00 C ATOM 761 C GLN A 49 -1.094 9.814 6.761 1.00 0.00 C ATOM 762 O GLN A 49 0.010 9.625 6.255 1.00 0.00 O ATOM 763 CB GLN A 49 -2.550 11.692 5.898 1.00 0.00 C ATOM 764 CG GLN A 49 -1.319 12.598 5.714 1.00 0.00 C ATOM 765 CD GLN A 49 -0.622 12.904 7.045 1.00 0.00 C ATOM 766 OE1 GLN A 49 -1.277 13.297 8.008 1.00 0.00 O ATOM 767 NE2 GLN A 49 0.683 12.731 7.154 1.00 0.00 N ATOM 0 H GLN A 49 -4.267 10.090 6.405 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.967 9.899 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.277 11.931 5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.016 11.929 6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.613 12.116 5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.624 13.532 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.223 12.405 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.151 12.924 8.040 1.00 0.00 H new ATOM 776 N GLY A 50 -1.317 9.759 8.075 1.00 0.00 N ATOM 777 CA GLY A 50 -0.279 9.432 9.040 1.00 0.00 C ATOM 778 C GLY A 50 0.254 8.027 8.782 1.00 0.00 C ATOM 779 O GLY A 50 1.445 7.834 8.564 1.00 0.00 O ATOM 0 H GLY A 50 -2.228 9.942 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.533 10.156 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.679 9.497 10.052 1.00 0.00 H new ATOM 783 N SER A 51 -0.646 7.052 8.717 1.00 0.00 N ATOM 784 CA SER A 51 -0.314 5.650 8.536 1.00 0.00 C ATOM 785 C SER A 51 0.416 5.398 7.217 1.00 0.00 C ATOM 786 O SER A 51 1.429 4.700 7.208 1.00 0.00 O ATOM 787 CB SER A 51 -1.611 4.853 8.638 1.00 0.00 C ATOM 788 OG SER A 51 -2.328 5.278 9.788 1.00 0.00 O ATOM 0 H SER A 51 -1.649 7.222 8.791 1.00 0.00 H new ATOM 0 HA SER A 51 0.381 5.328 9.312 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.215 5.001 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.393 3.787 8.703 1.00 0.00 H new ATOM 0 HG SER A 51 -3.164 4.771 9.858 1.00 0.00 H new ATOM 794 N VAL A 52 -0.046 5.973 6.102 1.00 0.00 N ATOM 795 CA VAL A 52 0.658 5.870 4.836 1.00 0.00 C ATOM 796 C VAL A 52 2.067 6.468 4.928 1.00 0.00 C ATOM 797 O VAL A 52 2.989 5.989 4.268 1.00 0.00 O ATOM 798 CB VAL A 52 -0.220 6.504 3.734 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.243 7.888 3.244 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.291 5.504 2.587 1.00 0.00 C ATOM 0 H VAL A 52 -0.909 6.515 6.059 1.00 0.00 H new ATOM 0 HA VAL A 52 0.819 4.824 4.574 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.202 6.704 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.438 8.247 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.246 8.588 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.249 7.810 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.904 5.914 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.714 5.308 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.733 4.573 2.942 1.00 0.00 H new ATOM 810 N SER A 53 2.238 7.512 5.737 1.00 0.00 N ATOM 811 CA SER A 53 3.524 8.120 5.983 1.00 0.00 C ATOM 812 C SER A 53 4.416 7.121 6.696 1.00 0.00 C ATOM 813 O SER A 53 5.562 6.973 6.288 1.00 0.00 O ATOM 814 CB SER A 53 3.339 9.348 6.861 1.00 0.00 C ATOM 815 OG SER A 53 4.104 10.448 6.395 1.00 0.00 O ATOM 0 H SER A 53 1.472 7.958 6.242 1.00 0.00 H new ATOM 0 HA SER A 53 3.982 8.413 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.284 9.623 6.885 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.630 9.110 7.884 1.00 0.00 H new ATOM 0 HG SER A 53 3.959 11.219 6.982 1.00 0.00 H new ATOM 821 N ASP A 54 3.913 6.454 7.738 1.00 0.00 N ATOM 822 CA ASP A 54 4.686 5.486 8.511 1.00 0.00 C ATOM 823 C ASP A 54 5.195 4.394 7.579 1.00 0.00 C ATOM 824 O ASP A 54 6.342 3.975 7.705 1.00 0.00 O ATOM 825 CB ASP A 54 3.863 4.863 9.651 1.00 0.00 C ATOM 826 CG ASP A 54 3.495 5.855 10.751 1.00 0.00 C ATOM 827 OD1 ASP A 54 4.309 6.754 11.050 1.00 0.00 O ATOM 828 OD2 ASP A 54 2.402 5.689 11.340 1.00 0.00 O ATOM 0 H ASP A 54 2.955 6.572 8.068 1.00 0.00 H new ATOM 0 HA ASP A 54 5.523 6.012 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.949 4.436 9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.429 4.041 10.089 1.00 0.00 H new ATOM 833 N MET A 55 4.380 3.990 6.600 1.00 0.00 N ATOM 834 CA MET A 55 4.765 3.069 5.548 1.00 0.00 C ATOM 835 C MET A 55 5.958 3.588 4.755 1.00 0.00 C ATOM 836 O MET A 55 7.016 2.961 4.765 1.00 0.00 O ATOM 837 CB MET A 55 3.557 2.812 4.638 1.00 0.00 C ATOM 838 CG MET A 55 3.022 1.418 4.893 1.00 0.00 C ATOM 839 SD MET A 55 2.406 1.081 6.566 1.00 0.00 S ATOM 840 CE MET A 55 0.748 1.774 6.344 1.00 0.00 C ATOM 0 H MET A 55 3.413 4.307 6.523 1.00 0.00 H new ATOM 0 HA MET A 55 5.079 2.128 6.000 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.780 3.552 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.847 2.917 3.592 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.213 1.228 4.187 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.814 0.703 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.357 2.098 7.309 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.798 2.627 5.668 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.090 1.015 5.922 1.00 0.00 H new ATOM 850 N LEU A 56 5.792 4.697 4.030 1.00 0.00 N ATOM 851 CA LEU A 56 6.835 5.187 3.128 1.00 0.00 C ATOM 852 C LEU A 56 8.098 5.611 3.887 1.00 0.00 C ATOM 853 O LEU A 56 9.208 5.459 3.370 1.00 0.00 O ATOM 854 CB LEU A 56 6.315 6.353 2.265 1.00 0.00 C ATOM 855 CG LEU A 56 5.054 6.066 1.425 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.793 7.224 0.453 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.164 4.751 0.648 1.00 0.00 C ATOM 0 H LEU A 56 4.948 5.270 4.050 1.00 0.00 H new ATOM 0 HA LEU A 56 7.104 4.358 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.105 7.198 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.113 6.663 1.591 1.00 0.00 H new ATOM 0 HG LEU A 56 4.218 5.971 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.900 7.011 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.645 8.145 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.648 7.339 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.253 4.592 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.018 4.798 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.300 3.926 1.347 1.00 0.00 H new ATOM 869 N SER A 57 7.935 6.148 5.097 1.00 0.00 N ATOM 870 CA SER A 57 9.000 6.617 5.965 1.00 0.00 C ATOM 871 C SER A 57 9.790 5.429 6.507 1.00 0.00 C ATOM 872 O SER A 57 11.024 5.389 6.392 1.00 0.00 O ATOM 873 CB SER A 57 8.370 7.425 7.116 1.00 0.00 C ATOM 874 OG SER A 57 9.351 7.914 8.005 1.00 0.00 O ATOM 0 H SER A 57 7.011 6.271 5.512 1.00 0.00 H new ATOM 0 HA SER A 57 9.689 7.253 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.801 8.260 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.666 6.796 7.660 1.00 0.00 H new ATOM 0 HG SER A 57 8.918 8.423 8.722 1.00 0.00 H new ATOM 880 N ARG A 58 9.099 4.464 7.115 1.00 0.00 N ATOM 881 CA ARG A 58 9.698 3.335 7.805 1.00 0.00 C ATOM 882 C ARG A 58 8.908 2.084 7.441 1.00 0.00 C ATOM 883 O ARG A 58 8.084 1.639 8.243 1.00 0.00 O ATOM 884 CB ARG A 58 9.893 3.640 9.307 1.00 0.00 C ATOM 885 CG ARG A 58 8.744 4.284 10.119 1.00 0.00 C ATOM 886 CD ARG A 58 7.965 3.286 10.993 1.00 0.00 C ATOM 887 NE ARG A 58 7.449 3.890 12.240 1.00 0.00 N ATOM 888 CZ ARG A 58 8.170 4.193 13.333 1.00 0.00 C ATOM 889 NH1 ARG A 58 9.498 4.106 13.328 1.00 0.00 N ATOM 890 NH2 ARG A 58 7.578 4.567 14.457 1.00 0.00 N ATOM 0 H ARG A 58 8.079 4.451 7.138 1.00 0.00 H new ATOM 0 HA ARG A 58 10.719 3.140 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.151 2.702 9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.760 4.295 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.156 5.066 10.757 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.051 4.767 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.131 2.883 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.614 2.447 11.244 1.00 0.00 H new ATOM 0 HE ARG A 58 6.451 4.096 12.274 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.986 3.805 12.485 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.028 4.340 14.168 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.561 4.628 14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.139 4.794 15.278 1.00 0.00 H new ATOM 904 N PRO A 59 9.159 1.503 6.249 1.00 0.00 N ATOM 905 CA PRO A 59 8.491 0.287 5.811 1.00 0.00 C ATOM 906 C PRO A 59 8.817 -0.881 6.754 1.00 0.00 C ATOM 907 O PRO A 59 9.712 -0.790 7.609 1.00 0.00 O ATOM 908 CB PRO A 59 8.936 0.027 4.361 1.00 0.00 C ATOM 909 CG PRO A 59 9.893 1.156 3.985 1.00 0.00 C ATOM 910 CD PRO A 59 10.128 1.957 5.258 1.00 0.00 C ATOM 0 HA PRO A 59 7.407 0.393 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.428 -0.942 4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.077 0.009 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.831 0.758 3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.466 1.784 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.145 1.809 5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.009 3.024 5.067 1.00 0.00 H new ATOM 918 N LYS A 60 8.108 -2.001 6.601 1.00 0.00 N ATOM 919 CA LYS A 60 8.528 -3.300 7.123 1.00 0.00 C ATOM 920 C LYS A 60 8.850 -4.235 5.963 1.00 0.00 C ATOM 921 O LYS A 60 8.310 -4.032 4.873 1.00 0.00 O ATOM 922 CB LYS A 60 7.457 -3.882 8.059 1.00 0.00 C ATOM 923 CG LYS A 60 7.510 -3.183 9.426 1.00 0.00 C ATOM 924 CD LYS A 60 7.399 -4.159 10.600 1.00 0.00 C ATOM 925 CE LYS A 60 7.805 -3.489 11.920 1.00 0.00 C ATOM 926 NZ LYS A 60 9.273 -3.390 12.079 1.00 0.00 N ATOM 0 H LYS A 60 7.217 -2.030 6.106 1.00 0.00 H new ATOM 0 HA LYS A 60 9.433 -3.179 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.469 -3.756 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.616 -4.953 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.445 -2.628 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.701 -2.455 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.375 -4.526 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.036 -5.025 10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.370 -2.491 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.390 -4.056 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.494 -2.931 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.689 -4.343 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.669 -2.827 11.300 1.00 0.00 H new ATOM 940 N PRO A 61 9.691 -5.261 6.179 1.00 0.00 N ATOM 941 CA PRO A 61 10.017 -6.221 5.136 1.00 0.00 C ATOM 942 C PRO A 61 8.796 -7.058 4.773 1.00 0.00 C ATOM 943 O PRO A 61 7.912 -7.253 5.612 1.00 0.00 O ATOM 944 CB PRO A 61 11.136 -7.088 5.712 1.00 0.00 C ATOM 945 CG PRO A 61 10.982 -6.964 7.219 1.00 0.00 C ATOM 946 CD PRO A 61 10.403 -5.568 7.412 1.00 0.00 C ATOM 0 HA PRO A 61 10.332 -5.730 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.041 -8.124 5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.116 -6.740 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.318 -7.731 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.939 -7.074 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.731 -5.538 8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.192 -4.840 7.600 1.00 0.00 H new ATOM 954 N TRP A 62 8.777 -7.634 3.570 1.00 0.00 N ATOM 955 CA TRP A 62 7.676 -8.482 3.124 1.00 0.00 C ATOM 956 C TRP A 62 7.408 -9.632 4.096 1.00 0.00 C ATOM 957 O TRP A 62 6.259 -9.887 4.457 1.00 0.00 O ATOM 958 CB TRP A 62 7.953 -9.046 1.733 1.00 0.00 C ATOM 959 CG TRP A 62 6.720 -9.608 1.113 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.398 -10.914 1.030 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.576 -8.888 0.587 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.239 -11.053 0.299 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.660 -9.832 0.044 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.224 -7.526 0.530 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.464 -9.442 -0.567 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.006 -7.122 -0.040 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.131 -8.079 -0.574 1.00 0.00 C ATOM 0 H TRP A 62 9.522 -7.525 2.882 1.00 0.00 H new ATOM 0 HA TRP A 62 6.788 -7.851 3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.356 -8.260 1.095 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.714 -9.823 1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.961 -11.725 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.859 -11.947 -0.013 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.899 -6.783 0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.812 -10.173 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.743 -6.075 -0.067 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.189 -7.763 -0.996 1.00 0.00 H new ATOM 978 N SER A 63 8.467 -10.278 4.591 1.00 0.00 N ATOM 979 CA SER A 63 8.387 -11.337 5.591 1.00 0.00 C ATOM 980 C SER A 63 7.712 -10.911 6.904 1.00 0.00 C ATOM 981 O SER A 63 7.351 -11.785 7.696 1.00 0.00 O ATOM 982 CB SER A 63 9.803 -11.843 5.871 1.00 0.00 C ATOM 983 OG SER A 63 10.239 -12.729 4.862 1.00 0.00 O ATOM 0 H SER A 63 9.422 -10.072 4.299 1.00 0.00 H new ATOM 0 HA SER A 63 7.754 -12.123 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.488 -10.997 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.827 -12.348 6.837 1.00 0.00 H new ATOM 0 HG SER A 63 11.147 -13.035 5.066 1.00 0.00 H new ATOM 989 N LYS A 64 7.543 -9.613 7.175 1.00 0.00 N ATOM 990 CA LYS A 64 6.813 -9.107 8.336 1.00 0.00 C ATOM 991 C LYS A 64 5.390 -8.681 8.001 1.00 0.00 C ATOM 992 O LYS A 64 4.593 -8.532 8.928 1.00 0.00 O ATOM 993 CB LYS A 64 7.587 -7.926 8.955 1.00 0.00 C ATOM 994 CG LYS A 64 8.735 -8.396 9.856 1.00 0.00 C ATOM 995 CD LYS A 64 8.146 -8.889 11.187 1.00 0.00 C ATOM 996 CE LYS A 64 9.147 -9.647 12.053 1.00 0.00 C ATOM 997 NZ LYS A 64 8.464 -10.420 13.115 1.00 0.00 N ATOM 0 H LYS A 64 7.918 -8.873 6.581 1.00 0.00 H new ATOM 0 HA LYS A 64 6.735 -9.925 9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.986 -7.298 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.901 -7.308 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.293 -9.196 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.436 -7.580 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.768 -8.033 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.294 -9.536 10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.733 -10.322 11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.846 -8.943 12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.171 -10.924 13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.925 -9.772 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.815 -11.108 12.681 1.00 0.00 H new ATOM 1011 N LEU A 65 5.056 -8.459 6.732 1.00 0.00 N ATOM 1012 CA LEU A 65 3.697 -8.133 6.333 1.00 0.00 C ATOM 1013 C LEU A 65 2.936 -9.448 6.190 1.00 0.00 C ATOM 1014 O LEU A 65 3.452 -10.398 5.608 1.00 0.00 O ATOM 1015 CB LEU A 65 3.690 -7.369 4.997 1.00 0.00 C ATOM 1016 CG LEU A 65 4.483 -6.049 4.979 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.452 -5.471 3.566 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.922 -5.016 5.959 1.00 0.00 C ATOM 0 H LEU A 65 5.719 -8.501 5.958 1.00 0.00 H new ATOM 0 HA LEU A 65 3.228 -7.492 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.091 -8.023 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.656 -7.154 4.728 1.00 0.00 H new ATOM 0 HG LEU A 65 5.504 -6.271 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.011 -4.536 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.903 -6.181 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.419 -5.284 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.517 -4.104 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.888 -4.790 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.961 -5.417 6.972 1.00 0.00 H new ATOM 1030 N THR A 66 1.696 -9.501 6.652 1.00 0.00 N ATOM 1031 CA THR A 66 0.726 -10.564 6.378 1.00 0.00 C ATOM 1032 C THR A 66 -0.197 -10.103 5.250 1.00 0.00 C ATOM 1033 O THR A 66 -0.151 -8.928 4.905 1.00 0.00 O ATOM 1034 CB THR A 66 -0.087 -10.774 7.655 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.515 -9.510 8.136 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.756 -11.449 8.734 1.00 0.00 C ATOM 0 H THR A 66 1.316 -8.773 7.257 1.00 0.00 H new ATOM 0 HA THR A 66 1.219 -11.490 6.082 1.00 0.00 H new ATOM 0 HB THR A 66 -0.940 -11.413 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.040 -9.632 8.955 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.154 -11.587 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.099 -12.419 8.374 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.618 -10.823 8.967 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.086 -10.942 4.709 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.983 -10.563 3.610 1.00 0.00 C ATOM 1046 C GLN A 67 -2.688 -9.207 3.801 1.00 0.00 C ATOM 1047 O GLN A 67 -2.775 -8.440 2.841 1.00 0.00 O ATOM 1048 CB GLN A 67 -3.011 -11.671 3.358 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.488 -12.779 2.435 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.586 -13.809 2.204 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.541 -14.905 2.747 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -4.610 -13.464 1.444 1.00 0.00 N ATOM 0 H GLN A 67 -1.205 -11.906 5.021 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.344 -10.439 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.305 -12.109 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.907 -11.233 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.168 -12.354 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.615 -13.256 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.629 -12.546 1.000 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.382 -14.116 1.301 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.167 -8.857 5.004 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.860 -7.566 5.172 1.00 0.00 C ATOM 1063 C LYS A 68 -2.892 -6.401 5.396 1.00 0.00 C ATOM 1064 O LYS A 68 -3.226 -5.249 5.125 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.920 -7.653 6.274 1.00 0.00 C ATOM 1066 CG LYS A 68 -6.085 -6.695 5.970 1.00 0.00 C ATOM 1067 CD LYS A 68 -7.357 -6.934 6.788 1.00 0.00 C ATOM 1068 CE LYS A 68 -7.134 -6.908 8.302 1.00 0.00 C ATOM 1069 NZ LYS A 68 -8.390 -7.163 9.035 1.00 0.00 N ATOM 0 H LYS A 68 -3.093 -9.424 5.848 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.372 -7.352 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.291 -8.675 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.475 -7.402 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.748 -5.673 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.333 -6.774 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.094 -6.175 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.781 -7.899 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.392 -7.659 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.730 -5.939 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.206 -7.139 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.089 -6.432 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.762 -8.098 8.772 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.670 -6.695 5.831 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.562 -5.748 5.789 1.00 0.00 C ATOM 1085 C GLY A 69 0.001 -5.586 4.373 1.00 0.00 C ATOM 1086 O GLY A 69 0.574 -4.549 4.062 1.00 0.00 O ATOM 0 H GLY A 69 -1.420 -7.602 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.899 -4.779 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.230 -6.086 6.457 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.140 -6.594 3.505 1.00 0.00 N ATOM 1091 CA ARG A 70 0.369 -6.614 2.136 1.00 0.00 C ATOM 1092 C ARG A 70 -0.541 -5.825 1.201 1.00 0.00 C ATOM 1093 O ARG A 70 -0.035 -5.211 0.272 1.00 0.00 O ATOM 1094 CB ARG A 70 0.520 -8.074 1.662 1.00 0.00 C ATOM 1095 CG ARG A 70 1.699 -8.786 2.347 1.00 0.00 C ATOM 1096 CD ARG A 70 1.714 -10.308 2.158 1.00 0.00 C ATOM 1097 NE ARG A 70 2.788 -10.893 2.976 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.489 -12.014 2.793 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.194 -12.869 1.826 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.488 -12.267 3.630 1.00 0.00 N ATOM 0 H ARG A 70 -0.633 -7.452 3.751 1.00 0.00 H new ATOM 0 HA ARG A 70 1.348 -6.134 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.401 -8.619 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.665 -8.091 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.631 -8.374 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.672 -8.564 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.751 -10.731 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.868 -10.553 1.107 1.00 0.00 H new ATOM 0 HE ARG A 70 3.034 -10.361 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.414 -12.679 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.747 -13.718 1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.699 -11.614 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.044 -13.115 3.519 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.848 -5.776 1.468 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.866 -5.040 0.705 1.00 0.00 C ATOM 1116 C GLU A 71 -2.391 -3.674 0.167 1.00 0.00 C ATOM 1117 O GLU A 71 -2.399 -3.488 -1.055 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.126 -4.887 1.581 1.00 0.00 C ATOM 1119 CG GLU A 71 -5.156 -5.998 1.376 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.097 -5.643 0.226 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -5.664 -5.726 -0.943 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -7.267 -5.281 0.489 1.00 0.00 O ATOM 0 H GLU A 71 -2.249 -6.274 2.263 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.088 -5.625 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.829 -4.868 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.593 -3.926 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.649 -6.939 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.729 -6.145 2.291 1.00 0.00 H new ATOM 1129 N PRO A 72 -1.959 -2.717 1.008 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.559 -1.402 0.524 1.00 0.00 C ATOM 1131 C PRO A 72 -0.229 -1.469 -0.230 1.00 0.00 C ATOM 1132 O PRO A 72 -0.036 -0.753 -1.210 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.489 -0.517 1.771 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.158 -1.503 2.893 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.867 -2.781 2.459 1.00 0.00 C ATOM 0 HA PRO A 72 -2.266 -0.995 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.723 0.252 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.434 -0.005 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.083 -1.653 2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.521 -1.150 3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.310 -3.663 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.857 -2.850 2.910 1.00 0.00 H new ATOM 1143 N PHE A 73 0.688 -2.347 0.175 1.00 0.00 N ATOM 1144 CA PHE A 73 1.944 -2.537 -0.531 1.00 0.00 C ATOM 1145 C PHE A 73 1.692 -3.068 -1.944 1.00 0.00 C ATOM 1146 O PHE A 73 2.395 -2.667 -2.865 1.00 0.00 O ATOM 1147 CB PHE A 73 2.870 -3.459 0.269 1.00 0.00 C ATOM 1148 CG PHE A 73 3.526 -2.776 1.460 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.831 -2.572 2.666 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.851 -2.321 1.355 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.461 -1.933 3.750 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.474 -1.649 2.419 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.783 -1.466 3.626 1.00 0.00 C ATOM 0 H PHE A 73 0.578 -2.941 0.997 1.00 0.00 H new ATOM 0 HA PHE A 73 2.444 -1.574 -0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.298 -4.317 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.647 -3.843 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.809 -2.907 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.400 -2.491 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.928 -1.800 4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.481 -1.275 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.263 -0.969 4.456 1.00 0.00 H new ATOM 1163 N ILE A 74 0.717 -3.953 -2.141 1.00 0.00 N ATOM 1164 CA ILE A 74 0.325 -4.487 -3.445 1.00 0.00 C ATOM 1165 C ILE A 74 -0.199 -3.345 -4.311 1.00 0.00 C ATOM 1166 O ILE A 74 0.218 -3.206 -5.457 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.728 -5.600 -3.229 1.00 0.00 C ATOM 1168 CG1 ILE A 74 -0.058 -6.860 -2.653 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.499 -5.969 -4.503 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -1.028 -7.774 -1.903 1.00 0.00 C ATOM 0 H ILE A 74 0.160 -4.330 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 74 1.174 -4.930 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.455 -5.197 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.404 -7.421 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.743 -6.560 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.220 -6.755 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.025 -5.091 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.801 -6.324 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.490 -8.643 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.471 -7.229 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.816 -8.103 -2.581 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.087 -2.494 -3.790 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.592 -1.370 -4.557 1.00 0.00 C ATOM 1184 C ARG A 75 -0.477 -0.390 -4.886 1.00 0.00 C ATOM 1185 O ARG A 75 -0.503 0.176 -5.971 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.744 -0.739 -3.778 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.008 -1.561 -4.044 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.149 -1.214 -3.098 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.174 -2.274 -3.121 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.060 -2.513 -2.145 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.062 -1.778 -1.041 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.949 -3.494 -2.246 1.00 0.00 N ATOM 0 H ARG A 75 -1.465 -2.567 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.976 -1.702 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.518 -0.723 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.891 0.296 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.332 -1.398 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.773 -2.621 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.766 -1.091 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.594 -0.262 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.211 -2.873 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.385 -1.023 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.741 -1.968 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.966 -4.083 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.615 -3.659 -1.491 1.00 0.00 H new ATOM 1206 N MET A 76 0.528 -0.236 -4.022 1.00 0.00 N ATOM 1207 CA MET A 76 1.758 0.471 -4.355 1.00 0.00 C ATOM 1208 C MET A 76 2.459 -0.168 -5.571 1.00 0.00 C ATOM 1209 O MET A 76 2.793 0.540 -6.518 1.00 0.00 O ATOM 1210 CB MET A 76 2.668 0.509 -3.110 1.00 0.00 C ATOM 1211 CG MET A 76 2.909 1.918 -2.586 1.00 0.00 C ATOM 1212 SD MET A 76 4.283 2.022 -1.403 1.00 0.00 S ATOM 1213 CE MET A 76 3.463 1.569 0.136 1.00 0.00 C ATOM 0 H MET A 76 0.508 -0.601 -3.070 1.00 0.00 H new ATOM 0 HA MET A 76 1.523 1.495 -4.644 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.218 -0.093 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.626 0.050 -3.354 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.113 2.581 -3.427 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.999 2.280 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.207 1.451 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.758 2.352 0.417 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.927 0.630 -0.000 1.00 0.00 H new ATOM 1223 N GLN A 77 2.674 -1.492 -5.557 1.00 0.00 N ATOM 1224 CA GLN A 77 3.369 -2.245 -6.613 1.00 0.00 C ATOM 1225 C GLN A 77 2.651 -2.165 -7.955 1.00 0.00 C ATOM 1226 O GLN A 77 3.292 -2.151 -9.007 1.00 0.00 O ATOM 1227 CB GLN A 77 3.463 -3.733 -6.226 1.00 0.00 C ATOM 1228 CG GLN A 77 4.467 -3.986 -5.109 1.00 0.00 C ATOM 1229 CD GLN A 77 4.224 -5.304 -4.399 1.00 0.00 C ATOM 1230 OE1 GLN A 77 3.615 -5.246 -3.229 1.00 0.00 O flip ATOM 1231 NE2 GLN A 77 4.581 -6.377 -4.864 1.00 0.00 N flip ATOM 0 H GLN A 77 2.360 -2.086 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 77 4.357 -1.795 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.480 -4.086 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.746 -4.315 -7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.475 -3.980 -5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.414 -3.172 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.051 -6.410 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.409 -7.239 -4.347 1.00 0.00 H new ATOM 1240 N LEU A 78 1.322 -2.154 -7.923 1.00 0.00 N ATOM 1241 CA LEU A 78 0.508 -2.013 -9.112 1.00 0.00 C ATOM 1242 C LEU A 78 0.562 -0.579 -9.567 1.00 0.00 C ATOM 1243 O LEU A 78 1.054 -0.352 -10.665 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.934 -2.487 -8.847 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.045 -4.001 -8.580 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.412 -4.332 -7.980 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.832 -4.838 -9.845 1.00 0.00 C ATOM 0 H LEU A 78 0.782 -2.244 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 78 0.898 -2.645 -9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.334 -1.945 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.556 -2.231 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.253 -4.255 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.479 -5.404 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.537 -3.794 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.196 -4.034 -8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.921 -5.896 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.584 -4.573 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.161 -4.641 -10.249 1.00 0.00 H new ATOM 1259 N TRP A 79 0.135 0.379 -8.740 1.00 0.00 N ATOM 1260 CA TRP A 79 0.066 1.793 -9.092 1.00 0.00 C ATOM 1261 C TRP A 79 1.349 2.304 -9.750 1.00 0.00 C ATOM 1262 O TRP A 79 1.272 3.163 -10.626 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.266 2.613 -7.839 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.219 4.094 -8.044 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.237 4.898 -8.426 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.962 4.945 -8.002 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.770 6.181 -8.611 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.589 6.258 -8.404 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.325 4.720 -7.713 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.524 7.295 -8.518 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.273 5.747 -7.842 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.877 7.032 -8.248 1.00 0.00 C ATOM 0 H TRP A 79 -0.178 0.186 -7.789 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.724 1.912 -9.833 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.262 2.337 -7.491 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.434 2.345 -7.047 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.260 4.582 -8.565 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.357 6.974 -8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.644 3.741 -7.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.208 8.286 -8.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.313 5.548 -7.628 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.612 7.817 -8.352 1.00 0.00 H new ATOM 1283 N LEU A 80 2.498 1.751 -9.356 1.00 0.00 N ATOM 1284 CA LEU A 80 3.794 1.995 -9.963 1.00 0.00 C ATOM 1285 C LEU A 80 3.699 1.973 -11.484 1.00 0.00 C ATOM 1286 O LEU A 80 3.951 2.995 -12.119 1.00 0.00 O ATOM 1287 CB LEU A 80 4.792 0.952 -9.425 1.00 0.00 C ATOM 1288 CG LEU A 80 5.835 1.610 -8.522 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.311 0.660 -7.442 1.00 0.00 C ATOM 1290 CD2 LEU A 80 7.026 2.072 -9.351 1.00 0.00 C ATOM 0 H LEU A 80 2.545 1.097 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 80 4.150 2.990 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.256 0.183 -8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.288 0.454 -10.258 1.00 0.00 H new ATOM 0 HG LEU A 80 5.364 2.468 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.052 1.160 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.465 0.355 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.760 -0.220 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.764 2.540 -8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.476 1.214 -9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.692 2.793 -10.097 1.00 0.00 H new ATOM 1302 N SER A 81 3.348 0.827 -12.069 1.00 0.00 N ATOM 1303 CA SER A 81 3.288 0.671 -13.505 1.00 0.00 C ATOM 1304 C SER A 81 1.869 0.898 -14.026 1.00 0.00 C ATOM 1305 O SER A 81 1.687 1.473 -15.098 1.00 0.00 O ATOM 1306 CB SER A 81 3.802 -0.735 -13.797 1.00 0.00 C ATOM 1307 OG SER A 81 5.214 -0.700 -13.899 1.00 0.00 O ATOM 0 H SER A 81 3.099 -0.015 -11.551 1.00 0.00 H new ATOM 0 HA SER A 81 3.900 1.412 -14.018 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.499 -1.418 -13.004 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.367 -1.109 -14.724 1.00 0.00 H new ATOM 0 HG SER A 81 5.551 -1.601 -14.085 1.00 0.00 H new ATOM 1313 N ASP A 82 0.866 0.435 -13.289 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.547 0.443 -13.644 1.00 0.00 C ATOM 1315 C ASP A 82 -1.103 1.862 -13.688 1.00 0.00 C ATOM 1316 O ASP A 82 -1.914 2.181 -14.553 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.309 -0.361 -12.583 1.00 0.00 C ATOM 1318 CG ASP A 82 -2.774 -0.568 -12.940 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.057 -1.119 -14.027 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.642 -0.271 -12.095 1.00 0.00 O ATOM 0 H ASP A 82 1.028 0.019 -12.372 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.665 0.005 -14.635 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.830 -1.332 -12.456 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.242 0.155 -11.625 1.00 0.00 H new ATOM 1325 N GLN A 83 -0.675 2.704 -12.741 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.187 4.043 -12.456 1.00 0.00 C ATOM 1327 C GLN A 83 -2.694 4.093 -12.148 1.00 0.00 C ATOM 1328 O GLN A 83 -3.235 5.194 -12.068 1.00 0.00 O ATOM 1329 CB GLN A 83 -0.767 5.023 -13.564 1.00 0.00 C ATOM 1330 CG GLN A 83 0.741 4.992 -13.852 1.00 0.00 C ATOM 1331 CD GLN A 83 1.127 6.089 -14.837 1.00 0.00 C ATOM 1332 OE1 GLN A 83 0.732 6.056 -15.997 1.00 0.00 O ATOM 1333 NE2 GLN A 83 1.855 7.106 -14.411 1.00 0.00 N ATOM 0 H GLN A 83 0.088 2.449 -12.114 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.723 4.364 -11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.311 4.784 -14.478 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.056 6.034 -13.276 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.296 5.120 -12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.018 4.019 -14.257 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.182 7.130 -13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.090 7.867 -15.048 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.352 2.946 -11.915 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.794 2.761 -11.752 1.00 0.00 C ATOM 1344 C LEU A 84 -5.593 3.530 -12.798 1.00 0.00 C ATOM 1345 O LEU A 84 -6.033 4.663 -12.579 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.278 3.022 -10.326 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.917 1.842 -9.398 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.637 2.098 -8.614 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.046 1.589 -8.415 1.00 0.00 C ATOM 0 H LEU A 84 -2.849 2.063 -11.830 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.985 1.703 -11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.828 3.939 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.357 3.173 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.762 0.972 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.424 1.241 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.810 2.249 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.760 2.988 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.782 0.755 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.210 2.482 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.958 1.348 -8.962 1.00 0.00 H new ATOM 1361 N GLY A 85 -5.812 2.888 -13.939 1.00 0.00 N ATOM 1362 CA GLY A 85 -6.607 3.396 -15.035 1.00 0.00 C ATOM 1363 C GLY A 85 -8.103 3.338 -14.752 1.00 0.00 C ATOM 1364 O GLY A 85 -8.856 2.782 -15.553 1.00 0.00 O ATOM 0 H GLY A 85 -5.423 1.964 -14.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.320 4.427 -15.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.389 2.820 -15.934 1.00 0.00 H new ATOM 1368 N GLN A 86 -8.535 3.933 -13.642 1.00 0.00 N ATOM 1369 CA GLN A 86 -9.931 4.156 -13.326 1.00 0.00 C ATOM 1370 C GLN A 86 -10.563 5.133 -14.324 1.00 0.00 C ATOM 1371 O GLN A 86 -11.589 4.796 -14.922 1.00 0.00 O ATOM 1372 CB GLN A 86 -10.073 4.689 -11.885 1.00 0.00 C ATOM 1373 CG GLN A 86 -10.600 3.647 -10.888 1.00 0.00 C ATOM 1374 CD GLN A 86 -9.514 2.798 -10.237 1.00 0.00 C ATOM 1375 OE1 GLN A 86 -8.830 3.354 -9.251 1.00 0.00 O flip ATOM 1376 NE2 GLN A 86 -9.330 1.619 -10.534 1.00 0.00 N flip ATOM 0 H GLN A 86 -7.901 4.280 -12.923 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.458 3.205 -13.400 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.102 5.047 -11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.746 5.547 -11.889 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.161 4.160 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.299 2.989 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.861 1.196 -11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.647 1.064 -10.019 1.00 0.00 H new ATOM 1385 N ALA A 87 -10.046 6.368 -14.428 1.00 0.00 N ATOM 1386 CA ALA A 87 -10.795 7.458 -15.045 1.00 0.00 C ATOM 1387 C ALA A 87 -9.930 8.683 -15.377 1.00 0.00 C ATOM 1388 O ALA A 87 -9.738 9.551 -14.517 1.00 0.00 O ATOM 1389 CB ALA A 87 -11.928 7.867 -14.092 1.00 0.00 C ATOM 0 H ALA A 87 -9.118 6.629 -14.093 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.184 7.094 -15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.500 8.682 -14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.584 7.014 -13.920 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.504 8.196 -13.143 1.00 0.00 H new ATOM 1395 N VAL A 88 -9.473 8.803 -16.627 1.00 0.00 N ATOM 1396 CA VAL A 88 -8.827 9.997 -17.172 1.00 0.00 C ATOM 1397 C VAL A 88 -9.070 10.070 -18.688 1.00 0.00 C ATOM 1398 O VAL A 88 -9.015 9.048 -19.375 1.00 0.00 O ATOM 1399 CB VAL A 88 -7.330 9.994 -16.798 1.00 0.00 C ATOM 1400 CG1 VAL A 88 -6.577 8.755 -17.299 1.00 0.00 C ATOM 1401 CG2 VAL A 88 -6.613 11.260 -17.293 1.00 0.00 C ATOM 0 H VAL A 88 -9.546 8.047 -17.308 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.260 10.898 -16.738 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.314 9.972 -15.708 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.531 8.820 -17.000 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.023 7.859 -16.867 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.642 8.705 -18.386 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.562 11.217 -17.009 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.693 11.323 -18.378 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.075 12.139 -16.844 1.00 0.00 H new ATOM 1411 N GLY A 89 -9.315 11.278 -19.203 1.00 0.00 N ATOM 1412 CA GLY A 89 -9.644 11.570 -20.594 1.00 0.00 C ATOM 1413 C GLY A 89 -10.852 12.505 -20.638 1.00 0.00 C ATOM 1414 O GLY A 89 -11.836 12.252 -19.933 1.00 0.00 O ATOM 0 H GLY A 89 -9.287 12.120 -18.628 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.792 12.033 -21.092 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.864 10.647 -21.130 1.00 0.00 H new ATOM 1418 N GLN A 90 -10.788 13.593 -21.406 1.00 0.00 N ATOM 1419 CA GLN A 90 -11.900 14.530 -21.548 1.00 0.00 C ATOM 1420 C GLN A 90 -12.981 13.849 -22.393 1.00 0.00 C ATOM 1421 O GLN A 90 -12.807 13.690 -23.600 1.00 0.00 O ATOM 1422 CB GLN A 90 -11.403 15.861 -22.150 1.00 0.00 C ATOM 1423 CG GLN A 90 -12.376 17.036 -21.939 1.00 0.00 C ATOM 1424 CD GLN A 90 -13.584 16.990 -22.868 1.00 0.00 C ATOM 1425 OE1 GLN A 90 -13.502 17.371 -24.033 1.00 0.00 O ATOM 1426 NE2 GLN A 90 -14.745 16.560 -22.394 1.00 0.00 N ATOM 0 H GLN A 90 -9.962 13.849 -21.947 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.332 14.786 -20.581 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.440 16.114 -21.706 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.236 15.726 -23.219 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.721 17.033 -20.905 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.842 17.974 -22.094 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.815 16.243 -21.427 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.568 16.546 -22.996 1.00 0.00 H new ATOM 1435 N GLN A 91 -14.074 13.408 -21.767 1.00 0.00 N ATOM 1436 CA GLN A 91 -15.123 12.603 -22.396 1.00 0.00 C ATOM 1437 C GLN A 91 -16.513 13.090 -21.952 1.00 0.00 C ATOM 1438 O GLN A 91 -16.600 13.768 -20.923 1.00 0.00 O ATOM 1439 CB GLN A 91 -14.866 11.130 -22.030 1.00 0.00 C ATOM 1440 CG GLN A 91 -15.125 10.811 -20.545 1.00 0.00 C ATOM 1441 CD GLN A 91 -14.409 9.540 -20.095 1.00 0.00 C ATOM 1442 OE1 GLN A 91 -14.336 8.548 -20.822 1.00 0.00 O ATOM 1443 NE2 GLN A 91 -13.849 9.550 -18.900 1.00 0.00 N ATOM 0 H GLN A 91 -14.259 13.606 -20.784 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.100 12.706 -23.481 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.502 10.495 -22.646 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.834 10.878 -22.273 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -14.794 11.649 -19.932 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.197 10.700 -20.381 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.919 10.380 -18.311 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.346 8.728 -18.566 1.00 0.00 H new ATOM 1452 N PRO A 92 -17.605 12.751 -22.662 1.00 0.00 N ATOM 1453 CA PRO A 92 -18.953 13.200 -22.322 1.00 0.00 C ATOM 1454 C PRO A 92 -19.569 12.332 -21.209 1.00 0.00 C ATOM 1455 O PRO A 92 -20.403 11.453 -21.469 1.00 0.00 O ATOM 1456 CB PRO A 92 -19.724 13.141 -23.646 1.00 0.00 C ATOM 1457 CG PRO A 92 -19.074 11.963 -24.373 1.00 0.00 C ATOM 1458 CD PRO A 92 -17.610 12.079 -23.957 1.00 0.00 C ATOM 0 HA PRO A 92 -18.975 14.208 -21.908 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -20.790 12.977 -23.485 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.626 14.068 -24.211 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.507 11.010 -24.069 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.195 12.037 -25.454 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.147 11.095 -23.886 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.041 12.647 -24.692 1.00 0.00 H new ATOM 1466 N GLY A 93 -19.169 12.563 -19.958 1.00 0.00 N ATOM 1467 CA GLY A 93 -19.742 11.896 -18.792 1.00 0.00 C ATOM 1468 C GLY A 93 -21.103 12.483 -18.430 1.00 0.00 C ATOM 1469 O GLY A 93 -21.412 13.621 -18.795 1.00 0.00 O ATOM 0 H GLY A 93 -18.430 13.226 -19.725 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -19.846 10.830 -18.995 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -19.064 11.995 -17.944 1.00 0.00 H new ATOM 1473 N ALA A 94 -21.908 11.731 -17.675 1.00 0.00 N ATOM 1474 CA ALA A 94 -23.213 12.177 -17.199 1.00 0.00 C ATOM 1475 C ALA A 94 -23.021 12.979 -15.908 1.00 0.00 C ATOM 1476 O ALA A 94 -23.360 12.522 -14.818 1.00 0.00 O ATOM 1477 CB ALA A 94 -24.156 10.979 -17.020 1.00 0.00 C ATOM 0 H ALA A 94 -21.666 10.786 -17.376 1.00 0.00 H new ATOM 0 HA ALA A 94 -23.684 12.830 -17.934 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -25.125 11.329 -16.664 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -24.282 10.469 -17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -23.731 10.287 -16.293 1.00 0.00 H new ATOM 1483 N SER A 95 -22.431 14.168 -16.024 1.00 0.00 N ATOM 1484 CA SER A 95 -22.327 15.103 -14.916 1.00 0.00 C ATOM 1485 C SER A 95 -23.750 15.547 -14.562 1.00 0.00 C ATOM 1486 O SER A 95 -24.478 16.054 -15.423 1.00 0.00 O ATOM 1487 CB SER A 95 -21.416 16.262 -15.320 1.00 0.00 C ATOM 1488 OG SER A 95 -20.997 17.002 -14.194 1.00 0.00 O ATOM 0 H SER A 95 -22.013 14.506 -16.891 1.00 0.00 H new ATOM 0 HA SER A 95 -21.877 14.653 -14.031 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.545 15.875 -15.848 1.00 0.00 H new ATOM 0 HB3 SER A 95 -21.944 16.918 -16.013 1.00 0.00 H new ATOM 0 HG SER A 95 -20.415 17.735 -14.483 1.00 0.00 H new ATOM 1494 N SER A 96 -24.182 15.261 -13.337 1.00 0.00 N ATOM 1495 CA SER A 96 -25.552 15.464 -12.897 1.00 0.00 C ATOM 1496 C SER A 96 -25.913 16.956 -12.820 1.00 0.00 C ATOM 1497 O SER A 96 -25.046 17.834 -12.819 1.00 0.00 O ATOM 1498 CB SER A 96 -25.777 14.711 -11.575 1.00 0.00 C ATOM 1499 OG SER A 96 -24.797 15.006 -10.593 1.00 0.00 O ATOM 0 H SER A 96 -23.577 14.875 -12.612 1.00 0.00 H new ATOM 0 HA SER A 96 -26.236 15.048 -13.636 1.00 0.00 H new ATOM 0 HB2 SER A 96 -26.763 14.963 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 96 -25.776 13.639 -11.770 1.00 0.00 H new ATOM 0 HG SER A 96 -24.991 14.502 -9.775 1.00 0.00 H new ATOM 1505 N GLY A 97 -27.215 17.244 -12.749 1.00 0.00 N ATOM 1506 CA GLY A 97 -27.745 18.595 -12.611 1.00 0.00 C ATOM 1507 C GLY A 97 -27.695 19.083 -11.158 1.00 0.00 C ATOM 1508 O GLY A 97 -27.065 18.440 -10.312 1.00 0.00 O ATOM 0 H GLY A 97 -27.941 16.528 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -27.174 19.275 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -28.775 18.619 -12.967 1.00 0.00 H new ATOM 1512 N PRO A 98 -28.344 20.218 -10.844 1.00 0.00 N ATOM 1513 CA PRO A 98 -28.493 20.682 -9.469 1.00 0.00 C ATOM 1514 C PRO A 98 -29.356 19.707 -8.649 1.00 0.00 C ATOM 1515 O PRO A 98 -30.018 18.821 -9.194 1.00 0.00 O ATOM 1516 CB PRO A 98 -29.130 22.073 -9.583 1.00 0.00 C ATOM 1517 CG PRO A 98 -29.930 21.995 -10.882 1.00 0.00 C ATOM 1518 CD PRO A 98 -29.075 21.084 -11.761 1.00 0.00 C ATOM 0 HA PRO A 98 -27.540 20.731 -8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -29.772 22.292 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -28.375 22.858 -9.623 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -30.925 21.580 -10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -30.065 22.979 -11.332 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -29.697 20.499 -12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -28.391 21.666 -12.378 1.00 0.00 H new ATOM 1526 N SER A 99 -29.360 19.895 -7.331 1.00 0.00 N ATOM 1527 CA SER A 99 -30.097 19.084 -6.361 1.00 0.00 C ATOM 1528 C SER A 99 -30.831 19.958 -5.330 1.00 0.00 C ATOM 1529 O SER A 99 -31.368 19.459 -4.339 1.00 0.00 O ATOM 1530 CB SER A 99 -29.140 18.062 -5.720 1.00 0.00 C ATOM 1531 OG SER A 99 -27.824 18.571 -5.559 1.00 0.00 O ATOM 0 H SER A 99 -28.829 20.646 -6.891 1.00 0.00 H new ATOM 0 HA SER A 99 -30.882 18.528 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 99 -29.532 17.764 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 99 -29.105 17.165 -6.338 1.00 0.00 H new ATOM 0 HG SER A 99 -27.256 17.886 -5.147 1.00 0.00 H new ATOM 1537 N SER A 100 -30.862 21.276 -5.537 1.00 0.00 N ATOM 1538 CA SER A 100 -31.683 22.243 -4.822 1.00 0.00 C ATOM 1539 C SER A 100 -31.923 23.418 -5.777 1.00 0.00 C ATOM 1540 O SER A 100 -31.235 23.523 -6.800 1.00 0.00 O ATOM 1541 CB SER A 100 -30.967 22.694 -3.541 1.00 0.00 C ATOM 1542 OG SER A 100 -30.627 21.569 -2.744 1.00 0.00 O ATOM 0 H SER A 100 -30.280 21.717 -6.249 1.00 0.00 H new ATOM 0 HA SER A 100 -32.636 21.811 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 100 -30.067 23.252 -3.797 1.00 0.00 H new ATOM 0 HB3 SER A 100 -31.610 23.368 -2.975 1.00 0.00 H new ATOM 0 HG SER A 100 -30.983 20.755 -3.158 1.00 0.00 H new ATOM 1548 N GLY A 101 -32.877 24.282 -5.448 1.00 0.00 N ATOM 1549 CA GLY A 101 -33.379 25.373 -6.259 1.00 0.00 C ATOM 1550 C GLY A 101 -34.782 25.685 -5.762 1.00 0.00 C ATOM 1551 O GLY A 101 -35.127 25.157 -4.678 1.00 0.00 O ATOM 0 H GLY A 101 -33.349 24.231 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -32.735 26.248 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -33.396 25.095 -7.313 1.00 0.00 H new TER 1555 GLY A 101