USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 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 75 TYR OH : rot -25:sc= 0.954 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -1.67 X(o=-0.72,f=-1) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot -12:sc= 0.562 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.173 F(o=-1.4,f=-0.17) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.88 K(o=-1.9,f=-6.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -17:sc= -0.945 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -52:sc= 0.966 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -162:sc= 0.11 USER MOD Single : A 65 LYS NZ :NH3+ -115:sc= 0.176 (180deg=-0.765) USER MOD Single : A 67 THR OG1 : rot -35:sc= 1.17 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.754 USER MOD Single : A 70 GLN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0345 K(o=-0.035,f=-0.7) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.365 6.584 -6.347 1.00 61.41 N ATOM 61 CA SER A 5 9.533 7.455 -6.390 1.00 41.51 C ATOM 62 C SER A 5 10.596 6.989 -5.400 1.00 10.11 C ATOM 63 O SER A 5 11.716 7.498 -5.390 1.00 21.51 O ATOM 64 CB SER A 5 9.130 8.899 -6.081 1.00 62.41 C ATOM 65 OG SER A 5 10.271 9.717 -5.890 1.00 63.01 O ATOM 0 HA SER A 5 9.953 7.409 -7.395 1.00 41.51 H new ATOM 0 HB2 SER A 5 8.528 9.295 -6.899 1.00 62.41 H new ATOM 0 HB3 SER A 5 8.508 8.923 -5.186 1.00 62.41 H new ATOM 0 HG SER A 5 11.067 9.152 -5.798 1.00 63.01 H new ATOM 71 N ASN A 6 10.235 6.017 -4.568 1.00 51.41 N ATOM 72 CA ASN A 6 11.156 5.482 -3.573 1.00 25.42 C ATOM 73 C ASN A 6 11.911 4.275 -4.124 1.00 10.34 C ATOM 74 O ASN A 6 13.102 4.103 -3.861 1.00 73.33 O ATOM 75 CB ASN A 6 10.397 5.087 -2.305 1.00 21.34 C ATOM 76 CG ASN A 6 11.326 4.677 -1.178 1.00 63.13 C ATOM 77 OD1 ASN A 6 11.892 3.480 -1.284 1.00 34.44 O flip ATOM 78 ND2 ASN A 6 11.533 5.428 -0.225 1.00 42.32 N flip ATOM 0 H ASN A 6 9.311 5.584 -4.564 1.00 51.41 H new ATOM 0 HA ASN A 6 11.879 6.260 -3.328 1.00 25.42 H new ATOM 0 HB2 ASN A 6 9.781 5.925 -1.978 1.00 21.34 H new ATOM 0 HB3 ASN A 6 9.720 4.263 -2.532 1.00 21.34 H new ATOM 0 HD21 ASN A 6 11.076 6.339 -0.185 1.00 42.32 H new ATOM 0 HD22 ASN A 6 12.161 5.139 0.525 1.00 42.32 H new ATOM 85 N ILE A 7 11.210 3.445 -4.888 1.00 21.31 N ATOM 86 CA ILE A 7 11.814 2.256 -5.477 1.00 0.01 C ATOM 87 C ILE A 7 12.912 2.630 -6.467 1.00 1.23 C ATOM 88 O ILE A 7 14.019 2.096 -6.411 1.00 2.11 O ATOM 89 CB ILE A 7 10.764 1.389 -6.196 1.00 61.41 C ATOM 90 CG1 ILE A 7 9.827 0.735 -5.178 1.00 61.14 C ATOM 91 CG2 ILE A 7 11.446 0.332 -7.051 1.00 64.54 C ATOM 92 CD1 ILE A 7 8.463 0.400 -5.741 1.00 3.24 C ATOM 0 H ILE A 7 10.224 3.573 -5.114 1.00 21.31 H new ATOM 0 HA ILE A 7 12.247 1.683 -4.657 1.00 0.01 H new ATOM 0 HB ILE A 7 10.171 2.029 -6.849 1.00 61.41 H new ATOM 0 HG12 ILE A 7 10.291 -0.178 -4.803 1.00 61.14 H new ATOM 0 HG13 ILE A 7 9.705 1.404 -4.326 1.00 61.14 H new ATOM 0 HG21 ILE A 7 10.691 -0.273 -7.553 1.00 64.54 H new ATOM 0 HG22 ILE A 7 12.076 0.818 -7.796 1.00 64.54 H new ATOM 0 HG23 ILE A 7 12.061 -0.307 -6.417 1.00 64.54 H new ATOM 0 HD11 ILE A 7 7.852 -0.060 -4.965 1.00 3.24 H new ATOM 0 HD12 ILE A 7 7.979 1.312 -6.090 1.00 3.24 H new ATOM 0 HD13 ILE A 7 8.574 -0.294 -6.575 1.00 3.24 H new ATOM 104 N GLU A 8 12.597 3.553 -7.371 1.00 23.24 N ATOM 105 CA GLU A 8 13.559 3.999 -8.372 1.00 55.12 C ATOM 106 C GLU A 8 14.863 4.442 -7.715 1.00 71.33 C ATOM 107 O GLU A 8 15.948 4.048 -8.141 1.00 42.20 O ATOM 108 CB GLU A 8 12.974 5.149 -9.196 1.00 32.52 C ATOM 109 CG GLU A 8 12.419 6.283 -8.350 1.00 63.42 C ATOM 110 CD GLU A 8 11.670 7.312 -9.174 1.00 32.12 C ATOM 111 OE1 GLU A 8 10.926 6.910 -10.093 1.00 21.13 O ATOM 112 OE2 GLU A 8 11.827 8.520 -8.899 1.00 23.14 O ATOM 0 H GLU A 8 11.685 4.006 -7.431 1.00 23.24 H new ATOM 0 HA GLU A 8 13.773 3.159 -9.033 1.00 55.12 H new ATOM 0 HB2 GLU A 8 13.748 5.543 -9.855 1.00 32.52 H new ATOM 0 HB3 GLU A 8 12.180 4.761 -9.834 1.00 32.52 H new ATOM 0 HG2 GLU A 8 11.751 5.873 -7.593 1.00 63.42 H new ATOM 0 HG3 GLU A 8 13.238 6.772 -7.822 1.00 63.42 H new ATOM 119 N GLU A 9 14.747 5.263 -6.676 1.00 74.14 N ATOM 120 CA GLU A 9 15.916 5.760 -5.962 1.00 5.11 C ATOM 121 C GLU A 9 16.692 4.612 -5.322 1.00 72.01 C ATOM 122 O GLU A 9 17.916 4.541 -5.427 1.00 44.34 O ATOM 123 CB GLU A 9 15.497 6.767 -4.889 1.00 35.22 C ATOM 124 CG GLU A 9 16.667 7.378 -4.137 1.00 14.33 C ATOM 125 CD GLU A 9 16.223 8.293 -3.012 1.00 11.04 C ATOM 126 OE1 GLU A 9 15.841 9.446 -3.301 1.00 41.42 O ATOM 127 OE2 GLU A 9 16.258 7.856 -1.842 1.00 54.24 O ATOM 0 H GLU A 9 13.855 5.598 -6.311 1.00 74.14 H new ATOM 0 HA GLU A 9 16.565 6.257 -6.683 1.00 5.11 H new ATOM 0 HB2 GLU A 9 14.920 7.565 -5.357 1.00 35.22 H new ATOM 0 HB3 GLU A 9 14.837 6.272 -4.177 1.00 35.22 H new ATOM 0 HG2 GLU A 9 17.288 6.581 -3.728 1.00 14.33 H new ATOM 0 HG3 GLU A 9 17.288 7.940 -4.834 1.00 14.33 H new ATOM 134 N ARG A 10 15.969 3.715 -4.659 1.00 4.34 N ATOM 135 CA ARG A 10 16.589 2.571 -4.000 1.00 53.41 C ATOM 136 C ARG A 10 17.356 1.716 -5.004 1.00 31.10 C ATOM 137 O ARG A 10 18.576 1.578 -4.914 1.00 31.24 O ATOM 138 CB ARG A 10 15.526 1.724 -3.298 1.00 25.51 C ATOM 139 CG ARG A 10 15.246 2.159 -1.869 1.00 24.12 C ATOM 140 CD ARG A 10 15.673 1.096 -0.869 1.00 34.52 C ATOM 141 NE ARG A 10 14.595 0.153 -0.579 1.00 51.41 N ATOM 142 CZ ARG A 10 13.609 0.404 0.275 1.00 2.43 C ATOM 143 NH1 ARG A 10 13.565 1.562 0.920 1.00 1.01 N ATOM 144 NH2 ARG A 10 12.665 -0.503 0.486 1.00 74.54 N ATOM 0 H ARG A 10 14.954 3.758 -4.564 1.00 4.34 H new ATOM 0 HA ARG A 10 17.293 2.947 -3.258 1.00 53.41 H new ATOM 0 HB2 ARG A 10 14.600 1.771 -3.871 1.00 25.51 H new ATOM 0 HB3 ARG A 10 15.847 0.682 -3.295 1.00 25.51 H new ATOM 0 HG2 ARG A 10 15.774 3.089 -1.661 1.00 24.12 H new ATOM 0 HG3 ARG A 10 14.182 2.364 -1.752 1.00 24.12 H new ATOM 0 HD2 ARG A 10 16.533 0.554 -1.261 1.00 34.52 H new ATOM 0 HD3 ARG A 10 15.993 1.576 0.056 1.00 34.52 H new ATOM 0 HE ARG A 10 14.600 -0.747 -1.059 1.00 51.41 H new ATOM 0 HH11 ARG A 10 14.289 2.262 0.761 1.00 1.01 H new ATOM 0 HH12 ARG A 10 12.807 1.752 1.575 1.00 1.01 H new ATOM 0 HH21 ARG A 10 12.695 -1.395 -0.008 1.00 74.54 H new ATOM 0 HH22 ARG A 10 11.909 -0.309 1.142 1.00 74.54 H new ATOM 158 N VAL A 11 16.632 1.143 -5.960 1.00 62.25 N ATOM 159 CA VAL A 11 17.244 0.301 -6.982 1.00 1.23 C ATOM 160 C VAL A 11 18.483 0.966 -7.571 1.00 61.44 C ATOM 161 O VAL A 11 19.500 0.312 -7.807 1.00 35.02 O ATOM 162 CB VAL A 11 16.253 -0.012 -8.118 1.00 61.44 C ATOM 163 CG1 VAL A 11 16.937 -0.809 -9.219 1.00 2.11 C ATOM 164 CG2 VAL A 11 15.044 -0.762 -7.579 1.00 23.11 C ATOM 0 H VAL A 11 15.621 1.246 -6.048 1.00 62.25 H new ATOM 0 HA VAL A 11 17.532 -0.631 -6.495 1.00 1.23 H new ATOM 0 HB VAL A 11 15.907 0.930 -8.545 1.00 61.44 H new ATOM 0 HG11 VAL A 11 16.221 -1.021 -10.013 1.00 2.11 H new ATOM 0 HG12 VAL A 11 17.768 -0.231 -9.624 1.00 2.11 H new ATOM 0 HG13 VAL A 11 17.313 -1.747 -8.810 1.00 2.11 H new ATOM 0 HG21 VAL A 11 14.354 -0.975 -8.396 1.00 23.11 H new ATOM 0 HG22 VAL A 11 15.369 -1.698 -7.125 1.00 23.11 H new ATOM 0 HG23 VAL A 11 14.541 -0.151 -6.829 1.00 23.11 H new ATOM 174 N LYS A 12 18.392 2.270 -7.808 1.00 22.00 N ATOM 175 CA LYS A 12 19.506 3.026 -8.369 1.00 31.22 C ATOM 176 C LYS A 12 20.684 3.058 -7.400 1.00 52.52 C ATOM 177 O LYS A 12 21.830 2.839 -7.793 1.00 0.45 O ATOM 178 CB LYS A 12 19.065 4.453 -8.700 1.00 53.24 C ATOM 179 CG LYS A 12 18.819 4.685 -10.181 1.00 53.21 C ATOM 180 CD LYS A 12 17.809 3.697 -10.740 1.00 52.12 C ATOM 181 CE LYS A 12 16.913 4.346 -11.784 1.00 13.23 C ATOM 182 NZ LYS A 12 15.545 3.756 -11.785 1.00 44.02 N ATOM 0 H LYS A 12 17.558 2.826 -7.620 1.00 22.00 H new ATOM 0 HA LYS A 12 19.825 2.529 -9.285 1.00 31.22 H new ATOM 0 HB2 LYS A 12 18.152 4.679 -8.149 1.00 53.24 H new ATOM 0 HB3 LYS A 12 19.828 5.150 -8.353 1.00 53.24 H new ATOM 0 HG2 LYS A 12 18.459 5.702 -10.336 1.00 53.21 H new ATOM 0 HG3 LYS A 12 19.759 4.593 -10.726 1.00 53.21 H new ATOM 0 HD2 LYS A 12 18.334 2.851 -11.184 1.00 52.12 H new ATOM 0 HD3 LYS A 12 17.197 3.302 -9.929 1.00 52.12 H new ATOM 0 HE2 LYS A 12 16.847 5.417 -11.591 1.00 13.23 H new ATOM 0 HE3 LYS A 12 17.360 4.227 -12.771 1.00 13.23 H new ATOM 0 HZ1 LYS A 12 14.965 4.225 -12.510 1.00 44.02 H new ATOM 0 HZ2 LYS A 12 15.606 2.739 -11.995 1.00 44.02 H new ATOM 0 HZ3 LYS A 12 15.108 3.891 -10.851 1.00 44.02 H new ATOM 196 N LYS A 13 20.394 3.332 -6.133 1.00 1.14 N ATOM 197 CA LYS A 13 21.428 3.391 -5.106 1.00 62.25 C ATOM 198 C LYS A 13 22.207 2.081 -5.043 1.00 72.40 C ATOM 199 O LYS A 13 23.402 2.072 -4.748 1.00 44.24 O ATOM 200 CB LYS A 13 20.805 3.692 -3.742 1.00 11.53 C ATOM 201 CG LYS A 13 20.726 2.482 -2.828 1.00 73.42 C ATOM 202 CD LYS A 13 19.939 2.787 -1.565 1.00 34.22 C ATOM 203 CE LYS A 13 19.046 1.621 -1.169 1.00 74.21 C ATOM 204 NZ LYS A 13 18.899 1.511 0.309 1.00 65.32 N ATOM 0 H LYS A 13 19.451 3.517 -5.792 1.00 1.14 H new ATOM 0 HA LYS A 13 22.119 4.192 -5.367 1.00 62.25 H new ATOM 0 HB2 LYS A 13 21.388 4.471 -3.250 1.00 11.53 H new ATOM 0 HB3 LYS A 13 19.801 4.091 -3.891 1.00 11.53 H new ATOM 0 HG2 LYS A 13 20.257 1.654 -3.359 1.00 73.42 H new ATOM 0 HG3 LYS A 13 21.733 2.160 -2.562 1.00 73.42 H new ATOM 0 HD2 LYS A 13 20.628 3.012 -0.751 1.00 34.22 H new ATOM 0 HD3 LYS A 13 19.329 3.677 -1.721 1.00 34.22 H new ATOM 0 HE2 LYS A 13 18.063 1.746 -1.623 1.00 74.21 H new ATOM 0 HE3 LYS A 13 19.463 0.694 -1.562 1.00 74.21 H new ATOM 0 HZ1 LYS A 13 18.283 0.705 0.538 1.00 65.32 H new ATOM 0 HZ2 LYS A 13 19.834 1.366 0.741 1.00 65.32 H new ATOM 0 HZ3 LYS A 13 18.477 2.385 0.682 1.00 65.32 H new ATOM 218 N ILE A 14 21.522 0.977 -5.322 1.00 61.34 N ATOM 219 CA ILE A 14 22.151 -0.338 -5.299 1.00 60.04 C ATOM 220 C ILE A 14 23.083 -0.522 -6.492 1.00 23.40 C ATOM 221 O ILE A 14 24.262 -0.838 -6.328 1.00 22.10 O ATOM 222 CB ILE A 14 21.101 -1.465 -5.304 1.00 11.40 C ATOM 223 CG1 ILE A 14 20.439 -1.580 -3.929 1.00 63.42 C ATOM 224 CG2 ILE A 14 21.743 -2.785 -5.702 1.00 33.30 C ATOM 225 CD1 ILE A 14 19.012 -1.080 -3.902 1.00 31.55 C ATOM 0 H ILE A 14 20.532 0.967 -5.567 1.00 61.34 H new ATOM 0 HA ILE A 14 22.729 -0.395 -4.377 1.00 60.04 H new ATOM 0 HB ILE A 14 20.332 -1.223 -6.037 1.00 11.40 H new ATOM 0 HG12 ILE A 14 20.456 -2.623 -3.613 1.00 63.42 H new ATOM 0 HG13 ILE A 14 21.026 -1.017 -3.204 1.00 63.42 H new ATOM 0 HG21 ILE A 14 20.988 -3.572 -5.701 1.00 33.30 H new ATOM 0 HG22 ILE A 14 22.172 -2.695 -6.700 1.00 33.30 H new ATOM 0 HG23 ILE A 14 22.530 -3.036 -4.991 1.00 33.30 H new ATOM 0 HD11 ILE A 14 18.606 -1.192 -2.897 1.00 31.55 H new ATOM 0 HD12 ILE A 14 18.990 -0.028 -4.187 1.00 31.55 H new ATOM 0 HD13 ILE A 14 18.410 -1.659 -4.603 1.00 31.55 H new ATOM 237 N ILE A 15 22.548 -0.322 -7.691 1.00 54.32 N ATOM 238 CA ILE A 15 23.332 -0.463 -8.911 1.00 45.03 C ATOM 239 C ILE A 15 24.511 0.505 -8.922 1.00 32.10 C ATOM 240 O ILE A 15 25.540 0.241 -9.545 1.00 35.34 O ATOM 241 CB ILE A 15 22.472 -0.221 -10.165 1.00 41.54 C ATOM 242 CG1 ILE A 15 21.442 -1.340 -10.328 1.00 13.11 C ATOM 243 CG2 ILE A 15 23.354 -0.121 -11.401 1.00 74.14 C ATOM 244 CD1 ILE A 15 20.016 -0.842 -10.410 1.00 11.53 C ATOM 0 H ILE A 15 21.574 -0.062 -7.844 1.00 54.32 H new ATOM 0 HA ILE A 15 23.705 -1.487 -8.929 1.00 45.03 H new ATOM 0 HB ILE A 15 21.939 0.722 -10.045 1.00 41.54 H new ATOM 0 HG12 ILE A 15 21.673 -1.907 -11.230 1.00 13.11 H new ATOM 0 HG13 ILE A 15 21.530 -2.029 -9.488 1.00 13.11 H new ATOM 0 HG21 ILE A 15 22.732 0.050 -12.279 1.00 74.14 H new ATOM 0 HG22 ILE A 15 24.052 0.708 -11.284 1.00 74.14 H new ATOM 0 HG23 ILE A 15 23.911 -1.049 -11.526 1.00 74.14 H new ATOM 0 HD11 ILE A 15 19.341 -1.690 -10.525 1.00 11.53 H new ATOM 0 HD12 ILE A 15 19.767 -0.300 -9.497 1.00 11.53 H new ATOM 0 HD13 ILE A 15 19.912 -0.176 -11.267 1.00 11.53 H new ATOM 256 N VAL A 16 24.354 1.627 -8.227 1.00 3.02 N ATOM 257 CA VAL A 16 25.406 2.634 -8.153 1.00 63.14 C ATOM 258 C VAL A 16 26.425 2.287 -7.074 1.00 32.35 C ATOM 259 O VAL A 16 27.611 2.586 -7.207 1.00 30.31 O ATOM 260 CB VAL A 16 24.826 4.032 -7.866 1.00 63.44 C ATOM 261 CG1 VAL A 16 25.945 5.045 -7.674 1.00 75.31 C ATOM 262 CG2 VAL A 16 23.893 4.462 -8.988 1.00 63.43 C ATOM 0 H VAL A 16 23.508 1.862 -7.707 1.00 3.02 H new ATOM 0 HA VAL A 16 25.900 2.646 -9.124 1.00 63.14 H new ATOM 0 HB VAL A 16 24.249 3.985 -6.943 1.00 63.44 H new ATOM 0 HG11 VAL A 16 25.516 6.027 -7.472 1.00 75.31 H new ATOM 0 HG12 VAL A 16 26.570 4.742 -6.834 1.00 75.31 H new ATOM 0 HG13 VAL A 16 26.552 5.093 -8.578 1.00 75.31 H new ATOM 0 HG21 VAL A 16 23.492 5.452 -8.769 1.00 63.43 H new ATOM 0 HG22 VAL A 16 24.444 4.494 -9.928 1.00 63.43 H new ATOM 0 HG23 VAL A 16 23.073 3.749 -9.072 1.00 63.43 H new ATOM 272 N GLU A 17 25.953 1.653 -6.004 1.00 50.42 N ATOM 273 CA GLU A 17 26.824 1.266 -4.901 1.00 32.33 C ATOM 274 C GLU A 17 27.526 -0.056 -5.200 1.00 13.20 C ATOM 275 O GLU A 17 28.529 -0.393 -4.572 1.00 42.33 O ATOM 276 CB GLU A 17 26.019 1.146 -3.605 1.00 4.54 C ATOM 277 CG GLU A 17 25.708 2.485 -2.956 1.00 61.11 C ATOM 278 CD GLU A 17 26.840 2.986 -2.080 1.00 34.34 C ATOM 279 OE1 GLU A 17 27.790 3.586 -2.623 1.00 25.24 O ATOM 280 OE2 GLU A 17 26.773 2.777 -0.850 1.00 5.20 O ATOM 0 H GLU A 17 24.974 1.397 -5.878 1.00 50.42 H new ATOM 0 HA GLU A 17 27.581 2.041 -4.780 1.00 32.33 H new ATOM 0 HB2 GLU A 17 25.084 0.627 -3.815 1.00 4.54 H new ATOM 0 HB3 GLU A 17 26.574 0.529 -2.898 1.00 4.54 H new ATOM 0 HG2 GLU A 17 25.501 3.222 -3.732 1.00 61.11 H new ATOM 0 HG3 GLU A 17 24.803 2.392 -2.356 1.00 61.11 H new ATOM 287 N GLN A 18 26.989 -0.799 -6.162 1.00 64.33 N ATOM 288 CA GLN A 18 27.563 -2.084 -6.544 1.00 23.32 C ATOM 289 C GLN A 18 28.510 -1.927 -7.729 1.00 61.21 C ATOM 290 O GLN A 18 29.654 -2.382 -7.688 1.00 60.10 O ATOM 291 CB GLN A 18 26.454 -3.079 -6.890 1.00 64.41 C ATOM 292 CG GLN A 18 25.540 -3.403 -5.720 1.00 0.15 C ATOM 293 CD GLN A 18 26.143 -4.421 -4.772 1.00 70.31 C ATOM 294 OE1 GLN A 18 26.138 -5.622 -5.047 1.00 55.41 O ATOM 295 NE2 GLN A 18 26.668 -3.947 -3.648 1.00 53.14 N ATOM 0 H GLN A 18 26.158 -0.534 -6.691 1.00 64.33 H new ATOM 0 HA GLN A 18 28.132 -2.466 -5.696 1.00 23.32 H new ATOM 0 HB2 GLN A 18 25.856 -2.674 -7.706 1.00 64.41 H new ATOM 0 HB3 GLN A 18 26.906 -4.002 -7.254 1.00 64.41 H new ATOM 0 HG2 GLN A 18 25.320 -2.487 -5.171 1.00 0.15 H new ATOM 0 HG3 GLN A 18 24.591 -3.783 -6.099 1.00 0.15 H new ATOM 0 HE21 GLN A 18 26.651 -2.945 -3.460 1.00 53.14 H new ATOM 0 HE22 GLN A 18 27.089 -4.585 -2.973 1.00 53.14 H new ATOM 304 N LEU A 19 28.027 -1.281 -8.784 1.00 74.24 N ATOM 305 CA LEU A 19 28.830 -1.064 -9.983 1.00 31.04 C ATOM 306 C LEU A 19 29.800 0.096 -9.785 1.00 24.13 C ATOM 307 O LEU A 19 31.016 -0.082 -9.840 1.00 64.25 O ATOM 308 CB LEU A 19 27.925 -0.787 -11.184 1.00 74.22 C ATOM 309 CG LEU A 19 26.905 -1.876 -11.521 1.00 13.41 C ATOM 310 CD1 LEU A 19 26.168 -1.537 -12.808 1.00 23.22 C ATOM 311 CD2 LEU A 19 27.589 -3.230 -11.636 1.00 35.11 C ATOM 0 H LEU A 19 27.083 -0.898 -8.834 1.00 74.24 H new ATOM 0 HA LEU A 19 29.407 -1.969 -10.172 1.00 31.04 H new ATOM 0 HB2 LEU A 19 27.387 0.143 -11.001 1.00 74.22 H new ATOM 0 HB3 LEU A 19 28.555 -0.624 -12.058 1.00 74.22 H new ATOM 0 HG LEU A 19 26.176 -1.928 -10.712 1.00 13.41 H new ATOM 0 HD11 LEU A 19 25.447 -2.323 -13.032 1.00 23.22 H new ATOM 0 HD12 LEU A 19 25.645 -0.588 -12.689 1.00 23.22 H new ATOM 0 HD13 LEU A 19 26.883 -1.457 -13.627 1.00 23.22 H new ATOM 0 HD21 LEU A 19 26.848 -3.993 -11.876 1.00 35.11 H new ATOM 0 HD22 LEU A 19 28.340 -3.192 -12.425 1.00 35.11 H new ATOM 0 HD23 LEU A 19 28.070 -3.476 -10.689 1.00 35.11 H new ATOM 323 N GLY A 20 29.254 1.285 -9.551 1.00 54.31 N ATOM 324 CA GLY A 20 30.085 2.457 -9.346 1.00 63.31 C ATOM 325 C GLY A 20 29.703 3.606 -10.257 1.00 53.04 C ATOM 326 O GLY A 20 30.027 4.761 -9.982 1.00 3.12 O ATOM 0 H GLY A 20 28.250 1.458 -9.500 1.00 54.31 H new ATOM 0 HA2 GLY A 20 30.004 2.779 -8.308 1.00 63.31 H new ATOM 0 HA3 GLY A 20 31.129 2.193 -9.518 1.00 63.31 H new ATOM 330 N VAL A 21 29.012 3.290 -11.348 1.00 74.20 N ATOM 331 CA VAL A 21 28.585 4.305 -12.304 1.00 31.23 C ATOM 332 C VAL A 21 27.633 5.304 -11.656 1.00 31.11 C ATOM 333 O VAL A 21 27.393 5.256 -10.449 1.00 72.44 O ATOM 334 CB VAL A 21 27.893 3.670 -13.525 1.00 13.33 C ATOM 335 CG1 VAL A 21 28.805 2.647 -14.184 1.00 32.23 C ATOM 336 CG2 VAL A 21 26.572 3.035 -13.117 1.00 53.55 C ATOM 0 H VAL A 21 28.736 2.339 -11.592 1.00 74.20 H new ATOM 0 HA VAL A 21 29.483 4.826 -12.635 1.00 31.23 H new ATOM 0 HB VAL A 21 27.684 4.455 -14.252 1.00 13.33 H new ATOM 0 HG11 VAL A 21 28.299 2.209 -15.044 1.00 32.23 H new ATOM 0 HG12 VAL A 21 29.722 3.136 -14.512 1.00 32.23 H new ATOM 0 HG13 VAL A 21 29.048 1.862 -13.468 1.00 32.23 H new ATOM 0 HG21 VAL A 21 26.096 2.591 -13.991 1.00 53.55 H new ATOM 0 HG22 VAL A 21 26.755 2.261 -12.372 1.00 53.55 H new ATOM 0 HG23 VAL A 21 25.917 3.797 -12.695 1.00 53.55 H new ATOM 346 N ASP A 22 27.093 6.208 -12.465 1.00 41.53 N ATOM 347 CA ASP A 22 26.165 7.219 -11.972 1.00 2.34 C ATOM 348 C ASP A 22 24.721 6.804 -12.232 1.00 55.43 C ATOM 349 O ASP A 22 24.405 6.249 -13.284 1.00 40.10 O ATOM 350 CB ASP A 22 26.449 8.569 -12.633 1.00 34.00 C ATOM 351 CG ASP A 22 26.038 9.739 -11.760 1.00 63.24 C ATOM 352 OD1 ASP A 22 26.409 9.748 -10.568 1.00 62.11 O ATOM 353 OD2 ASP A 22 25.346 10.645 -12.269 1.00 53.04 O ATOM 0 H ASP A 22 27.282 6.262 -13.466 1.00 41.53 H new ATOM 0 HA ASP A 22 26.308 7.314 -10.896 1.00 2.34 H new ATOM 0 HB2 ASP A 22 27.513 8.643 -12.858 1.00 34.00 H new ATOM 0 HB3 ASP A 22 25.918 8.624 -13.583 1.00 34.00 H new ATOM 358 N GLU A 23 23.848 7.077 -11.267 1.00 2.30 N ATOM 359 CA GLU A 23 22.438 6.730 -11.392 1.00 54.15 C ATOM 360 C GLU A 23 21.829 7.366 -12.639 1.00 45.50 C ATOM 361 O GLU A 23 20.832 6.881 -13.173 1.00 4.51 O ATOM 362 CB GLU A 23 21.666 7.179 -10.149 1.00 64.04 C ATOM 363 CG GLU A 23 21.702 8.681 -9.920 1.00 61.43 C ATOM 364 CD GLU A 23 20.945 9.099 -8.675 1.00 23.23 C ATOM 365 OE1 GLU A 23 21.452 8.847 -7.561 1.00 51.41 O ATOM 366 OE2 GLU A 23 19.847 9.677 -8.813 1.00 22.11 O ATOM 0 H GLU A 23 24.093 7.537 -10.390 1.00 2.30 H new ATOM 0 HA GLU A 23 22.365 5.646 -11.485 1.00 54.15 H new ATOM 0 HB2 GLU A 23 20.628 6.859 -10.241 1.00 64.04 H new ATOM 0 HB3 GLU A 23 22.079 6.677 -9.274 1.00 64.04 H new ATOM 0 HG2 GLU A 23 22.739 9.007 -9.837 1.00 61.43 H new ATOM 0 HG3 GLU A 23 21.277 9.187 -10.787 1.00 61.43 H new ATOM 373 N ALA A 24 22.438 8.456 -13.097 1.00 14.04 N ATOM 374 CA ALA A 24 21.958 9.158 -14.280 1.00 51.43 C ATOM 375 C ALA A 24 22.440 8.477 -15.556 1.00 64.12 C ATOM 376 O ALA A 24 21.824 8.611 -16.613 1.00 22.02 O ATOM 377 CB ALA A 24 22.411 10.611 -14.252 1.00 35.22 C ATOM 0 H ALA A 24 23.264 8.871 -12.666 1.00 14.04 H new ATOM 0 HA ALA A 24 20.868 9.128 -14.272 1.00 51.43 H new ATOM 0 HB1 ALA A 24 22.045 11.123 -15.142 1.00 35.22 H new ATOM 0 HB2 ALA A 24 22.013 11.099 -13.363 1.00 35.22 H new ATOM 0 HB3 ALA A 24 23.500 10.652 -14.231 1.00 35.22 H new ATOM 383 N GLU A 25 23.546 7.747 -15.450 1.00 21.41 N ATOM 384 CA GLU A 25 24.111 7.046 -16.597 1.00 22.30 C ATOM 385 C GLU A 25 23.371 5.736 -16.853 1.00 51.11 C ATOM 386 O GLU A 25 23.077 5.390 -17.997 1.00 72.42 O ATOM 387 CB GLU A 25 25.599 6.768 -16.371 1.00 33.32 C ATOM 388 CG GLU A 25 26.505 7.904 -16.814 1.00 14.45 C ATOM 389 CD GLU A 25 27.825 7.923 -16.068 1.00 33.42 C ATOM 390 OE1 GLU A 25 28.101 6.958 -15.325 1.00 34.40 O ATOM 391 OE2 GLU A 25 28.582 8.903 -16.228 1.00 22.33 O ATOM 0 H GLU A 25 24.068 7.626 -14.582 1.00 21.41 H new ATOM 0 HA GLU A 25 23.997 7.685 -17.473 1.00 22.30 H new ATOM 0 HB2 GLU A 25 25.767 6.573 -15.312 1.00 33.32 H new ATOM 0 HB3 GLU A 25 25.877 5.862 -16.910 1.00 33.32 H new ATOM 0 HG2 GLU A 25 26.698 7.814 -17.883 1.00 14.45 H new ATOM 0 HG3 GLU A 25 25.992 8.853 -16.661 1.00 14.45 H new ATOM 398 N VAL A 26 23.073 5.012 -15.779 1.00 62.41 N ATOM 399 CA VAL A 26 22.367 3.740 -15.886 1.00 42.40 C ATOM 400 C VAL A 26 21.097 3.886 -16.716 1.00 72.43 C ATOM 401 O VAL A 26 20.457 4.937 -16.714 1.00 52.40 O ATOM 402 CB VAL A 26 21.999 3.184 -14.498 1.00 2.23 C ATOM 403 CG1 VAL A 26 20.953 4.064 -13.830 1.00 21.30 C ATOM 404 CG2 VAL A 26 21.507 1.749 -14.612 1.00 50.44 C ATOM 0 H VAL A 26 23.309 5.284 -14.825 1.00 62.41 H new ATOM 0 HA VAL A 26 23.043 3.043 -16.380 1.00 42.40 H new ATOM 0 HB VAL A 26 22.894 3.188 -13.875 1.00 2.23 H new ATOM 0 HG11 VAL A 26 20.706 3.655 -12.850 1.00 21.30 H new ATOM 0 HG12 VAL A 26 21.348 5.073 -13.713 1.00 21.30 H new ATOM 0 HG13 VAL A 26 20.055 4.095 -14.448 1.00 21.30 H new ATOM 0 HG21 VAL A 26 21.251 1.372 -13.622 1.00 50.44 H new ATOM 0 HG22 VAL A 26 20.625 1.717 -15.251 1.00 50.44 H new ATOM 0 HG23 VAL A 26 22.292 1.129 -15.045 1.00 50.44 H new ATOM 414 N LYS A 27 20.736 2.822 -17.426 1.00 51.02 N ATOM 415 CA LYS A 27 19.540 2.828 -18.261 1.00 4.41 C ATOM 416 C LYS A 27 18.554 1.757 -17.807 1.00 11.33 C ATOM 417 O LYS A 27 18.929 0.605 -17.595 1.00 11.03 O ATOM 418 CB LYS A 27 19.916 2.602 -19.727 1.00 51.21 C ATOM 419 CG LYS A 27 20.494 3.833 -20.404 1.00 1.02 C ATOM 420 CD LYS A 27 20.341 3.763 -21.914 1.00 23.31 C ATOM 421 CE LYS A 27 20.828 5.039 -22.583 1.00 64.34 C ATOM 422 NZ LYS A 27 21.083 4.840 -24.037 1.00 55.02 N ATOM 0 H LYS A 27 21.255 1.944 -17.440 1.00 51.02 H new ATOM 0 HA LYS A 27 19.062 3.802 -18.161 1.00 4.41 H new ATOM 0 HB2 LYS A 27 20.642 1.791 -19.786 1.00 51.21 H new ATOM 0 HB3 LYS A 27 19.031 2.279 -20.275 1.00 51.21 H new ATOM 0 HG2 LYS A 27 19.993 4.725 -20.028 1.00 1.02 H new ATOM 0 HG3 LYS A 27 21.549 3.928 -20.148 1.00 1.02 H new ATOM 0 HD2 LYS A 27 20.903 2.912 -22.299 1.00 23.31 H new ATOM 0 HD3 LYS A 27 19.294 3.595 -22.167 1.00 23.31 H new ATOM 0 HE2 LYS A 27 20.086 5.826 -22.449 1.00 64.34 H new ATOM 0 HE3 LYS A 27 21.743 5.378 -22.097 1.00 64.34 H new ATOM 0 HZ1 LYS A 27 21.413 5.732 -24.457 1.00 55.02 H new ATOM 0 HZ2 LYS A 27 21.810 4.107 -24.165 1.00 55.02 H new ATOM 0 HZ3 LYS A 27 20.204 4.541 -24.506 1.00 55.02 H new ATOM 436 N ASN A 28 17.291 2.146 -17.661 1.00 22.31 N ATOM 437 CA ASN A 28 16.251 1.218 -17.233 1.00 33.22 C ATOM 438 C ASN A 28 16.065 0.100 -18.254 1.00 71.14 C ATOM 439 O ASN A 28 15.982 -1.074 -17.895 1.00 71.14 O ATOM 440 CB ASN A 28 14.929 1.961 -17.027 1.00 21.41 C ATOM 441 CG ASN A 28 14.876 2.689 -15.698 1.00 5.40 C ATOM 442 OD1 ASN A 28 15.603 3.659 -15.480 1.00 50.10 O ATOM 443 ND2 ASN A 28 14.014 2.224 -14.802 1.00 30.01 N ATOM 0 H ASN A 28 16.964 3.097 -17.833 1.00 22.31 H new ATOM 0 HA ASN A 28 16.562 0.774 -16.287 1.00 33.22 H new ATOM 0 HB2 ASN A 28 14.788 2.677 -17.836 1.00 21.41 H new ATOM 0 HB3 ASN A 28 14.104 1.251 -17.082 1.00 21.41 H new ATOM 0 HD21 ASN A 28 13.934 2.673 -13.890 1.00 30.01 H new ATOM 0 HD22 ASN A 28 13.431 1.417 -15.026 1.00 30.01 H new ATOM 450 N GLU A 29 16.001 0.474 -19.528 1.00 41.43 N ATOM 451 CA GLU A 29 15.825 -0.497 -20.601 1.00 51.05 C ATOM 452 C GLU A 29 17.173 -1.024 -21.085 1.00 50.43 C ATOM 453 O GLU A 29 17.515 -0.897 -22.260 1.00 43.45 O ATOM 454 CB GLU A 29 15.062 0.132 -21.769 1.00 41.40 C ATOM 455 CG GLU A 29 13.820 0.897 -21.343 1.00 2.20 C ATOM 456 CD GLU A 29 12.877 1.168 -22.499 1.00 11.42 C ATOM 457 OE1 GLU A 29 13.223 1.998 -23.365 1.00 53.15 O ATOM 458 OE2 GLU A 29 11.792 0.550 -22.536 1.00 64.03 O ATOM 0 H GLU A 29 16.068 1.442 -19.842 1.00 41.43 H new ATOM 0 HA GLU A 29 15.247 -1.333 -20.207 1.00 51.05 H new ATOM 0 HB2 GLU A 29 15.728 0.807 -22.306 1.00 41.40 H new ATOM 0 HB3 GLU A 29 14.773 -0.653 -22.468 1.00 41.40 H new ATOM 0 HG2 GLU A 29 13.294 0.330 -20.575 1.00 2.20 H new ATOM 0 HG3 GLU A 29 14.118 1.844 -20.892 1.00 2.20 H new ATOM 465 N ALA A 30 17.934 -1.615 -20.170 1.00 12.31 N ATOM 466 CA ALA A 30 19.243 -2.162 -20.502 1.00 42.14 C ATOM 467 C ALA A 30 19.529 -3.427 -19.701 1.00 70.40 C ATOM 468 O ALA A 30 18.703 -3.867 -18.902 1.00 34.41 O ATOM 469 CB ALA A 30 20.327 -1.123 -20.257 1.00 23.05 C ATOM 0 H ALA A 30 17.666 -1.727 -19.192 1.00 12.31 H new ATOM 0 HA ALA A 30 19.241 -2.426 -21.559 1.00 42.14 H new ATOM 0 HB1 ALA A 30 21.300 -1.545 -20.509 1.00 23.05 H new ATOM 0 HB2 ALA A 30 20.139 -0.248 -20.879 1.00 23.05 H new ATOM 0 HB3 ALA A 30 20.320 -0.830 -19.207 1.00 23.05 H new ATOM 475 N SER A 31 20.704 -4.009 -19.921 1.00 10.33 N ATOM 476 CA SER A 31 21.097 -5.227 -19.222 1.00 13.22 C ATOM 477 C SER A 31 22.342 -4.989 -18.373 1.00 42.15 C ATOM 478 O SER A 31 23.083 -4.030 -18.593 1.00 32.04 O ATOM 479 CB SER A 31 21.356 -6.354 -20.224 1.00 13.34 C ATOM 480 OG SER A 31 20.951 -7.606 -19.698 1.00 62.12 O ATOM 0 H SER A 31 21.400 -3.657 -20.578 1.00 10.33 H new ATOM 0 HA SER A 31 20.280 -5.518 -18.562 1.00 13.22 H new ATOM 0 HB2 SER A 31 20.817 -6.153 -21.150 1.00 13.34 H new ATOM 0 HB3 SER A 31 22.417 -6.387 -20.474 1.00 13.34 H new ATOM 0 HG SER A 31 20.848 -7.535 -18.726 1.00 62.12 H new ATOM 486 N PHE A 32 22.567 -5.869 -17.403 1.00 54.04 N ATOM 487 CA PHE A 32 23.722 -5.755 -16.520 1.00 75.53 C ATOM 488 C PHE A 32 24.997 -6.194 -17.234 1.00 31.53 C ATOM 489 O PHE A 32 26.105 -5.926 -16.770 1.00 22.14 O ATOM 490 CB PHE A 32 23.512 -6.599 -15.261 1.00 1.10 C ATOM 491 CG PHE A 32 22.187 -6.362 -14.594 1.00 61.04 C ATOM 492 CD1 PHE A 32 21.628 -5.094 -14.565 1.00 62.52 C ATOM 493 CD2 PHE A 32 21.500 -7.407 -13.997 1.00 43.24 C ATOM 494 CE1 PHE A 32 20.410 -4.874 -13.952 1.00 15.22 C ATOM 495 CE2 PHE A 32 20.281 -7.192 -13.383 1.00 30.22 C ATOM 496 CZ PHE A 32 19.735 -5.924 -13.361 1.00 35.10 C ATOM 0 H PHE A 32 21.965 -6.669 -17.208 1.00 54.04 H new ATOM 0 HA PHE A 32 23.829 -4.709 -16.234 1.00 75.53 H new ATOM 0 HB2 PHE A 32 23.594 -7.654 -15.523 1.00 1.10 H new ATOM 0 HB3 PHE A 32 24.311 -6.383 -14.551 1.00 1.10 H new ATOM 0 HD1 PHE A 32 22.150 -4.269 -15.027 1.00 62.52 H new ATOM 0 HD2 PHE A 32 21.922 -8.401 -14.012 1.00 43.24 H new ATOM 0 HE1 PHE A 32 19.986 -3.881 -13.935 1.00 15.22 H new ATOM 0 HE2 PHE A 32 19.756 -8.015 -12.921 1.00 30.22 H new ATOM 0 HZ PHE A 32 18.782 -5.754 -12.883 1.00 35.10 H new ATOM 506 N VAL A 33 24.832 -6.872 -18.365 1.00 73.13 N ATOM 507 CA VAL A 33 25.968 -7.349 -19.144 1.00 44.51 C ATOM 508 C VAL A 33 25.948 -6.773 -20.556 1.00 14.34 C ATOM 509 O VAL A 33 26.804 -7.092 -21.380 1.00 62.21 O ATOM 510 CB VAL A 33 25.986 -8.886 -19.229 1.00 74.30 C ATOM 511 CG1 VAL A 33 27.336 -9.379 -19.726 1.00 41.35 C ATOM 512 CG2 VAL A 33 25.651 -9.498 -17.877 1.00 11.10 C ATOM 0 H VAL A 33 23.922 -7.103 -18.762 1.00 73.13 H new ATOM 0 HA VAL A 33 26.867 -7.011 -18.629 1.00 44.51 H new ATOM 0 HB VAL A 33 25.226 -9.201 -19.944 1.00 74.30 H new ATOM 0 HG11 VAL A 33 27.329 -10.468 -19.779 1.00 41.35 H new ATOM 0 HG12 VAL A 33 27.531 -8.969 -20.717 1.00 41.35 H new ATOM 0 HG13 VAL A 33 28.117 -9.055 -19.039 1.00 41.35 H new ATOM 0 HG21 VAL A 33 25.668 -10.585 -17.955 1.00 11.10 H new ATOM 0 HG22 VAL A 33 26.386 -9.176 -17.140 1.00 11.10 H new ATOM 0 HG23 VAL A 33 24.658 -9.172 -17.566 1.00 11.10 H new ATOM 522 N ASP A 34 24.964 -5.922 -20.827 1.00 20.00 N ATOM 523 CA ASP A 34 24.832 -5.299 -22.139 1.00 71.40 C ATOM 524 C ASP A 34 25.215 -3.824 -22.081 1.00 53.14 C ATOM 525 O ASP A 34 26.185 -3.399 -22.709 1.00 70.10 O ATOM 526 CB ASP A 34 23.400 -5.448 -22.656 1.00 11.34 C ATOM 527 CG ASP A 34 22.993 -6.898 -22.826 1.00 21.33 C ATOM 528 OD1 ASP A 34 23.802 -7.785 -22.483 1.00 23.15 O ATOM 529 OD2 ASP A 34 21.866 -7.147 -23.303 1.00 11.31 O ATOM 0 H ASP A 34 24.246 -5.648 -20.156 1.00 20.00 H new ATOM 0 HA ASP A 34 25.512 -5.805 -22.825 1.00 71.40 H new ATOM 0 HB2 ASP A 34 22.714 -4.960 -21.963 1.00 11.34 H new ATOM 0 HB3 ASP A 34 23.307 -4.933 -23.612 1.00 11.34 H new ATOM 534 N ASP A 35 24.446 -3.048 -21.326 1.00 11.33 N ATOM 535 CA ASP A 35 24.704 -1.619 -21.186 1.00 23.21 C ATOM 536 C ASP A 35 25.958 -1.373 -20.353 1.00 0.25 C ATOM 537 O ASP A 35 26.805 -0.554 -20.713 1.00 30.12 O ATOM 538 CB ASP A 35 23.504 -0.923 -20.543 1.00 1.33 C ATOM 539 CG ASP A 35 23.839 0.472 -20.053 1.00 14.51 C ATOM 540 OD1 ASP A 35 24.717 1.119 -20.660 1.00 43.20 O ATOM 541 OD2 ASP A 35 23.222 0.917 -19.062 1.00 3.43 O ATOM 0 H ASP A 35 23.639 -3.384 -20.801 1.00 11.33 H new ATOM 0 HA ASP A 35 24.864 -1.204 -22.181 1.00 23.21 H new ATOM 0 HB2 ASP A 35 22.690 -0.865 -21.266 1.00 1.33 H new ATOM 0 HB3 ASP A 35 23.145 -1.523 -19.706 1.00 1.33 H new ATOM 546 N LEU A 36 26.070 -2.085 -19.237 1.00 12.13 N ATOM 547 CA LEU A 36 27.220 -1.943 -18.351 1.00 31.15 C ATOM 548 C LEU A 36 28.320 -2.932 -18.723 1.00 73.03 C ATOM 549 O LEU A 36 29.500 -2.684 -18.480 1.00 70.14 O ATOM 550 CB LEU A 36 26.797 -2.157 -16.896 1.00 64.10 C ATOM 551 CG LEU A 36 25.601 -1.334 -16.416 1.00 43.15 C ATOM 552 CD1 LEU A 36 25.658 0.073 -16.990 1.00 14.40 C ATOM 553 CD2 LEU A 36 24.296 -2.016 -16.800 1.00 22.33 C ATOM 0 H LEU A 36 25.378 -2.766 -18.924 1.00 12.13 H new ATOM 0 HA LEU A 36 27.612 -0.932 -18.465 1.00 31.15 H new ATOM 0 HB2 LEU A 36 26.565 -3.213 -16.758 1.00 64.10 H new ATOM 0 HB3 LEU A 36 27.649 -1.931 -16.254 1.00 64.10 H new ATOM 0 HG LEU A 36 25.645 -1.264 -15.329 1.00 43.15 H new ATOM 0 HD11 LEU A 36 24.799 0.645 -16.638 1.00 14.40 H new ATOM 0 HD12 LEU A 36 26.577 0.561 -16.665 1.00 14.40 H new ATOM 0 HD13 LEU A 36 25.639 0.023 -18.079 1.00 14.40 H new ATOM 0 HD21 LEU A 36 23.456 -1.416 -16.450 1.00 22.33 H new ATOM 0 HD22 LEU A 36 24.244 -2.117 -17.884 1.00 22.33 H new ATOM 0 HD23 LEU A 36 24.253 -3.004 -16.341 1.00 22.33 H new ATOM 565 N GLY A 37 27.924 -4.054 -19.317 1.00 53.23 N ATOM 566 CA GLY A 37 28.888 -5.062 -19.716 1.00 71.32 C ATOM 567 C GLY A 37 29.588 -5.696 -18.531 1.00 30.35 C ATOM 568 O GLY A 37 30.798 -5.918 -18.561 1.00 41.53 O ATOM 0 H GLY A 37 26.953 -4.282 -19.529 1.00 53.23 H new ATOM 0 HA2 GLY A 37 28.382 -5.837 -20.292 1.00 71.32 H new ATOM 0 HA3 GLY A 37 29.631 -4.610 -20.373 1.00 71.32 H new ATOM 572 N ALA A 38 28.826 -5.988 -17.482 1.00 15.23 N ATOM 573 CA ALA A 38 29.380 -6.600 -16.281 1.00 20.12 C ATOM 574 C ALA A 38 29.351 -8.122 -16.377 1.00 11.30 C ATOM 575 O ALA A 38 28.816 -8.683 -17.333 1.00 51.34 O ATOM 576 CB ALA A 38 28.618 -6.132 -15.050 1.00 32.42 C ATOM 0 H ALA A 38 27.822 -5.810 -17.440 1.00 15.23 H new ATOM 0 HA ALA A 38 30.420 -6.288 -16.191 1.00 20.12 H new ATOM 0 HB1 ALA A 38 29.043 -6.597 -14.160 1.00 32.42 H new ATOM 0 HB2 ALA A 38 28.695 -5.048 -14.965 1.00 32.42 H new ATOM 0 HB3 ALA A 38 27.569 -6.415 -15.142 1.00 32.42 H new ATOM 582 N ASP A 39 29.930 -8.784 -15.381 1.00 53.23 N ATOM 583 CA ASP A 39 29.970 -10.241 -15.354 1.00 33.34 C ATOM 584 C ASP A 39 28.772 -10.803 -14.594 1.00 24.43 C ATOM 585 O ASP A 39 27.890 -10.059 -14.166 1.00 44.45 O ATOM 586 CB ASP A 39 31.270 -10.725 -14.711 1.00 4.04 C ATOM 587 CG ASP A 39 31.830 -11.958 -15.393 1.00 1.32 C ATOM 588 OD1 ASP A 39 31.745 -12.038 -16.636 1.00 71.34 O ATOM 589 OD2 ASP A 39 32.354 -12.842 -14.683 1.00 41.44 O ATOM 0 H ASP A 39 30.378 -8.335 -14.582 1.00 53.23 H new ATOM 0 HA ASP A 39 29.927 -10.600 -16.382 1.00 33.34 H new ATOM 0 HB2 ASP A 39 32.010 -9.925 -14.748 1.00 4.04 H new ATOM 0 HB3 ASP A 39 31.091 -10.945 -13.659 1.00 4.04 H new ATOM 594 N SER A 40 28.748 -12.122 -14.430 1.00 31.31 N ATOM 595 CA SER A 40 27.656 -12.785 -13.726 1.00 24.01 C ATOM 596 C SER A 40 27.567 -12.300 -12.282 1.00 42.22 C ATOM 597 O SER A 40 26.475 -12.130 -11.738 1.00 62.21 O ATOM 598 CB SER A 40 27.850 -14.302 -13.755 1.00 35.42 C ATOM 599 OG SER A 40 27.398 -14.851 -14.981 1.00 51.30 O ATOM 0 H SER A 40 29.472 -12.752 -14.775 1.00 31.31 H new ATOM 0 HA SER A 40 26.724 -12.535 -14.233 1.00 24.01 H new ATOM 0 HB2 SER A 40 28.904 -14.540 -13.613 1.00 35.42 H new ATOM 0 HB3 SER A 40 27.307 -14.757 -12.927 1.00 35.42 H new ATOM 0 HG SER A 40 27.535 -15.821 -14.975 1.00 51.30 H new ATOM 605 N LEU A 41 28.723 -12.078 -11.667 1.00 25.11 N ATOM 606 CA LEU A 41 28.778 -11.612 -10.286 1.00 21.14 C ATOM 607 C LEU A 41 27.921 -10.365 -10.097 1.00 53.35 C ATOM 608 O LEU A 41 27.319 -10.167 -9.042 1.00 55.41 O ATOM 609 CB LEU A 41 30.224 -11.316 -9.883 1.00 70.42 C ATOM 610 CG LEU A 41 30.573 -11.550 -8.413 1.00 14.22 C ATOM 611 CD1 LEU A 41 29.755 -10.631 -7.518 1.00 60.21 C ATOM 612 CD2 LEU A 41 30.345 -13.006 -8.035 1.00 72.34 C ATOM 0 H LEU A 41 29.635 -12.213 -12.103 1.00 25.11 H new ATOM 0 HA LEU A 41 28.384 -12.402 -9.647 1.00 21.14 H new ATOM 0 HB2 LEU A 41 30.884 -11.932 -10.495 1.00 70.42 H new ATOM 0 HB3 LEU A 41 30.442 -10.276 -10.126 1.00 70.42 H new ATOM 0 HG LEU A 41 31.629 -11.320 -8.269 1.00 14.22 H new ATOM 0 HD11 LEU A 41 30.016 -10.811 -6.475 1.00 60.21 H new ATOM 0 HD12 LEU A 41 29.968 -9.592 -7.771 1.00 60.21 H new ATOM 0 HD13 LEU A 41 28.693 -10.830 -7.665 1.00 60.21 H new ATOM 0 HD21 LEU A 41 30.599 -13.153 -6.985 1.00 72.34 H new ATOM 0 HD22 LEU A 41 29.298 -13.264 -8.195 1.00 72.34 H new ATOM 0 HD23 LEU A 41 30.975 -13.645 -8.654 1.00 72.34 H new ATOM 624 N ASP A 42 27.869 -9.528 -11.128 1.00 74.10 N ATOM 625 CA ASP A 42 27.082 -8.301 -11.078 1.00 31.21 C ATOM 626 C ASP A 42 25.594 -8.614 -10.960 1.00 74.40 C ATOM 627 O ASP A 42 24.929 -8.180 -10.019 1.00 14.31 O ATOM 628 CB ASP A 42 27.340 -7.453 -12.324 1.00 62.22 C ATOM 629 CG ASP A 42 26.508 -6.186 -12.345 1.00 5.23 C ATOM 630 OD1 ASP A 42 26.121 -5.712 -11.256 1.00 32.42 O ATOM 631 OD2 ASP A 42 26.246 -5.667 -13.450 1.00 10.24 O ATOM 0 H ASP A 42 28.362 -9.677 -12.008 1.00 74.10 H new ATOM 0 HA ASP A 42 27.388 -7.739 -10.196 1.00 31.21 H new ATOM 0 HB2 ASP A 42 28.397 -7.191 -12.369 1.00 62.22 H new ATOM 0 HB3 ASP A 42 27.120 -8.043 -13.214 1.00 62.22 H new ATOM 636 N THR A 43 25.075 -9.371 -11.922 1.00 61.14 N ATOM 637 CA THR A 43 23.665 -9.741 -11.928 1.00 43.32 C ATOM 638 C THR A 43 23.247 -10.335 -10.588 1.00 63.12 C ATOM 639 O THR A 43 22.277 -9.889 -9.975 1.00 70.45 O ATOM 640 CB THR A 43 23.355 -10.754 -13.046 1.00 31.22 C ATOM 641 OG1 THR A 43 24.052 -11.981 -12.802 1.00 41.02 O ATOM 642 CG2 THR A 43 23.753 -10.200 -14.405 1.00 45.32 C ATOM 0 H THR A 43 25.611 -9.740 -12.708 1.00 61.14 H new ATOM 0 HA THR A 43 23.099 -8.827 -12.109 1.00 43.32 H new ATOM 0 HB THR A 43 22.281 -10.941 -13.049 1.00 31.22 H new ATOM 0 HG1 THR A 43 25.002 -11.793 -12.652 1.00 41.02 H new ATOM 0 HG21 THR A 43 23.524 -10.934 -15.178 1.00 45.32 H new ATOM 0 HG22 THR A 43 23.199 -9.282 -14.600 1.00 45.32 H new ATOM 0 HG23 THR A 43 24.822 -9.987 -14.412 1.00 45.32 H new ATOM 650 N VAL A 44 23.986 -11.344 -10.137 1.00 61.02 N ATOM 651 CA VAL A 44 23.693 -11.999 -8.868 1.00 12.31 C ATOM 652 C VAL A 44 23.708 -10.999 -7.717 1.00 45.33 C ATOM 653 O VAL A 44 22.873 -11.062 -6.816 1.00 53.24 O ATOM 654 CB VAL A 44 24.702 -13.123 -8.570 1.00 63.20 C ATOM 655 CG1 VAL A 44 24.377 -13.796 -7.245 1.00 73.23 C ATOM 656 CG2 VAL A 44 24.719 -14.138 -9.703 1.00 55.02 C ATOM 0 H VAL A 44 24.792 -11.725 -10.632 1.00 61.02 H new ATOM 0 HA VAL A 44 22.696 -12.431 -8.958 1.00 12.31 H new ATOM 0 HB VAL A 44 25.696 -12.683 -8.492 1.00 63.20 H new ATOM 0 HG11 VAL A 44 25.101 -14.588 -7.052 1.00 73.23 H new ATOM 0 HG12 VAL A 44 24.421 -13.060 -6.442 1.00 73.23 H new ATOM 0 HG13 VAL A 44 23.375 -14.224 -7.290 1.00 73.23 H new ATOM 0 HG21 VAL A 44 25.438 -14.925 -9.475 1.00 55.02 H new ATOM 0 HG22 VAL A 44 23.726 -14.574 -9.816 1.00 55.02 H new ATOM 0 HG23 VAL A 44 25.005 -13.643 -10.631 1.00 55.02 H new ATOM 666 N GLU A 45 24.665 -10.076 -7.755 1.00 72.02 N ATOM 667 CA GLU A 45 24.789 -9.062 -6.714 1.00 71.25 C ATOM 668 C GLU A 45 23.502 -8.252 -6.588 1.00 33.44 C ATOM 669 O GLU A 45 23.005 -8.023 -5.484 1.00 20.41 O ATOM 670 CB GLU A 45 25.963 -8.130 -7.017 1.00 44.45 C ATOM 671 CG GLU A 45 27.245 -8.510 -6.294 1.00 54.54 C ATOM 672 CD GLU A 45 27.190 -8.202 -4.811 1.00 22.24 C ATOM 673 OE1 GLU A 45 26.361 -8.817 -4.108 1.00 31.50 O ATOM 674 OE2 GLU A 45 27.976 -7.347 -4.352 1.00 11.00 O ATOM 0 H GLU A 45 25.365 -10.010 -8.494 1.00 72.02 H new ATOM 0 HA GLU A 45 24.973 -9.570 -5.767 1.00 71.25 H new ATOM 0 HB2 GLU A 45 26.148 -8.130 -8.091 1.00 44.45 H new ATOM 0 HB3 GLU A 45 25.688 -7.112 -6.741 1.00 44.45 H new ATOM 0 HG2 GLU A 45 27.435 -9.574 -6.434 1.00 54.54 H new ATOM 0 HG3 GLU A 45 28.083 -7.975 -6.742 1.00 54.54 H new ATOM 681 N LEU A 46 22.967 -7.821 -7.724 1.00 51.04 N ATOM 682 CA LEU A 46 21.738 -7.036 -7.742 1.00 55.21 C ATOM 683 C LEU A 46 20.571 -7.837 -7.172 1.00 5.01 C ATOM 684 O LEU A 46 19.827 -7.350 -6.321 1.00 54.45 O ATOM 685 CB LEU A 46 21.415 -6.589 -9.169 1.00 72.10 C ATOM 686 CG LEU A 46 22.530 -5.850 -9.909 1.00 62.24 C ATOM 687 CD1 LEU A 46 22.010 -5.269 -11.215 1.00 63.43 C ATOM 688 CD2 LEU A 46 23.117 -4.754 -9.032 1.00 43.03 C ATOM 0 H LEU A 46 23.365 -8.002 -8.646 1.00 51.04 H new ATOM 0 HA LEU A 46 21.890 -6.156 -7.118 1.00 55.21 H new ATOM 0 HB2 LEU A 46 21.141 -7.469 -9.751 1.00 72.10 H new ATOM 0 HB3 LEU A 46 20.538 -5.943 -9.136 1.00 72.10 H new ATOM 0 HG LEU A 46 23.320 -6.564 -10.142 1.00 62.24 H new ATOM 0 HD11 LEU A 46 22.818 -4.747 -11.728 1.00 63.43 H new ATOM 0 HD12 LEU A 46 21.638 -6.074 -11.849 1.00 63.43 H new ATOM 0 HD13 LEU A 46 21.201 -4.569 -11.005 1.00 63.43 H new ATOM 0 HD21 LEU A 46 23.909 -4.239 -9.575 1.00 43.03 H new ATOM 0 HD22 LEU A 46 22.335 -4.042 -8.768 1.00 43.03 H new ATOM 0 HD23 LEU A 46 23.528 -5.195 -8.124 1.00 43.03 H new ATOM 700 N VAL A 47 20.420 -9.070 -7.645 1.00 22.24 N ATOM 701 CA VAL A 47 19.347 -9.941 -7.180 1.00 0.24 C ATOM 702 C VAL A 47 19.321 -10.016 -5.657 1.00 51.22 C ATOM 703 O VAL A 47 18.265 -9.892 -5.038 1.00 33.23 O ATOM 704 CB VAL A 47 19.492 -11.364 -7.750 1.00 71.04 C ATOM 705 CG1 VAL A 47 18.397 -12.270 -7.210 1.00 35.43 C ATOM 706 CG2 VAL A 47 19.467 -11.333 -9.271 1.00 42.21 C ATOM 0 H VAL A 47 21.027 -9.488 -8.350 1.00 22.24 H new ATOM 0 HA VAL A 47 18.412 -9.509 -7.536 1.00 0.24 H new ATOM 0 HB VAL A 47 20.454 -11.767 -7.433 1.00 71.04 H new ATOM 0 HG11 VAL A 47 18.516 -13.271 -7.624 1.00 35.43 H new ATOM 0 HG12 VAL A 47 18.466 -12.316 -6.123 1.00 35.43 H new ATOM 0 HG13 VAL A 47 17.423 -11.873 -7.495 1.00 35.43 H new ATOM 0 HG21 VAL A 47 19.571 -12.347 -9.657 1.00 42.21 H new ATOM 0 HG22 VAL A 47 18.522 -10.910 -9.611 1.00 42.21 H new ATOM 0 HG23 VAL A 47 20.291 -10.720 -9.636 1.00 42.21 H new ATOM 716 N MET A 48 20.491 -10.219 -5.060 1.00 53.30 N ATOM 717 CA MET A 48 20.602 -10.308 -3.609 1.00 20.43 C ATOM 718 C MET A 48 20.164 -9.005 -2.948 1.00 71.13 C ATOM 719 O MET A 48 19.359 -9.010 -2.017 1.00 61.34 O ATOM 720 CB MET A 48 22.040 -10.640 -3.206 1.00 2.33 C ATOM 721 CG MET A 48 22.578 -11.904 -3.856 1.00 35.43 C ATOM 722 SD MET A 48 24.375 -11.904 -3.994 1.00 63.14 S ATOM 723 CE MET A 48 24.833 -12.707 -2.460 1.00 43.21 C ATOM 0 H MET A 48 21.375 -10.325 -5.558 1.00 53.30 H new ATOM 0 HA MET A 48 19.943 -11.106 -3.268 1.00 20.43 H new ATOM 0 HB2 MET A 48 22.685 -9.802 -3.471 1.00 2.33 H new ATOM 0 HB3 MET A 48 22.089 -10.750 -2.123 1.00 2.33 H new ATOM 0 HG2 MET A 48 22.262 -12.770 -3.274 1.00 35.43 H new ATOM 0 HG3 MET A 48 22.141 -12.011 -4.849 1.00 35.43 H new ATOM 0 HE1 MET A 48 25.919 -12.781 -2.398 1.00 43.21 H new ATOM 0 HE2 MET A 48 24.461 -12.123 -1.618 1.00 43.21 H new ATOM 0 HE3 MET A 48 24.399 -13.706 -2.429 1.00 43.21 H new ATOM 733 N ALA A 49 20.699 -7.891 -3.436 1.00 0.30 N ATOM 734 CA ALA A 49 20.362 -6.580 -2.894 1.00 34.42 C ATOM 735 C ALA A 49 18.852 -6.363 -2.883 1.00 3.01 C ATOM 736 O ALA A 49 18.317 -5.698 -1.995 1.00 31.33 O ATOM 737 CB ALA A 49 21.049 -5.485 -3.695 1.00 52.32 C ATOM 0 H ALA A 49 21.368 -7.870 -4.206 1.00 0.30 H new ATOM 0 HA ALA A 49 20.717 -6.537 -1.864 1.00 34.42 H new ATOM 0 HB1 ALA A 49 20.788 -4.512 -3.279 1.00 52.32 H new ATOM 0 HB2 ALA A 49 22.129 -5.622 -3.647 1.00 52.32 H new ATOM 0 HB3 ALA A 49 20.723 -5.535 -4.734 1.00 52.32 H new ATOM 743 N LEU A 50 18.171 -6.926 -3.875 1.00 20.15 N ATOM 744 CA LEU A 50 16.722 -6.793 -3.979 1.00 61.25 C ATOM 745 C LEU A 50 16.021 -7.609 -2.898 1.00 73.02 C ATOM 746 O LEU A 50 15.170 -7.094 -2.173 1.00 62.22 O ATOM 747 CB LEU A 50 16.248 -7.243 -5.362 1.00 73.43 C ATOM 748 CG LEU A 50 16.621 -6.330 -6.530 1.00 54.42 C ATOM 749 CD1 LEU A 50 16.164 -6.935 -7.848 1.00 51.25 C ATOM 750 CD2 LEU A 50 16.017 -4.946 -6.339 1.00 33.02 C ATOM 0 H LEU A 50 18.598 -7.479 -4.618 1.00 20.15 H new ATOM 0 HA LEU A 50 16.467 -5.743 -3.838 1.00 61.25 H new ATOM 0 HB2 LEU A 50 16.655 -8.235 -5.558 1.00 73.43 H new ATOM 0 HB3 LEU A 50 15.163 -7.343 -5.337 1.00 73.43 H new ATOM 0 HG LEU A 50 17.706 -6.231 -6.556 1.00 54.42 H new ATOM 0 HD11 LEU A 50 16.438 -6.271 -8.668 1.00 51.25 H new ATOM 0 HD12 LEU A 50 16.644 -7.903 -7.990 1.00 51.25 H new ATOM 0 HD13 LEU A 50 15.082 -7.065 -7.833 1.00 51.25 H new ATOM 0 HD21 LEU A 50 16.293 -4.309 -7.180 1.00 33.02 H new ATOM 0 HD22 LEU A 50 14.931 -5.027 -6.286 1.00 33.02 H new ATOM 0 HD23 LEU A 50 16.394 -4.509 -5.414 1.00 33.02 H new ATOM 762 N GLU A 51 16.385 -8.883 -2.795 1.00 64.33 N ATOM 763 CA GLU A 51 15.791 -9.769 -1.801 1.00 64.21 C ATOM 764 C GLU A 51 16.271 -9.411 -0.397 1.00 53.24 C ATOM 765 O GLU A 51 15.764 -9.934 0.594 1.00 0.24 O ATOM 766 CB GLU A 51 16.137 -11.227 -2.113 1.00 52.21 C ATOM 767 CG GLU A 51 17.630 -11.494 -2.196 1.00 62.11 C ATOM 768 CD GLU A 51 17.980 -12.942 -1.914 1.00 23.22 C ATOM 769 OE1 GLU A 51 17.260 -13.834 -2.411 1.00 3.33 O ATOM 770 OE2 GLU A 51 18.973 -13.184 -1.196 1.00 61.32 O ATOM 0 H GLU A 51 17.088 -9.325 -3.387 1.00 64.33 H new ATOM 0 HA GLU A 51 14.709 -9.643 -1.840 1.00 64.21 H new ATOM 0 HB2 GLU A 51 15.704 -11.867 -1.344 1.00 52.21 H new ATOM 0 HB3 GLU A 51 15.673 -11.507 -3.059 1.00 52.21 H new ATOM 0 HG2 GLU A 51 17.989 -11.224 -3.189 1.00 62.11 H new ATOM 0 HG3 GLU A 51 18.150 -10.853 -1.484 1.00 62.11 H new ATOM 777 N GLU A 52 17.251 -8.516 -0.324 1.00 11.34 N ATOM 778 CA GLU A 52 17.800 -8.089 0.958 1.00 15.41 C ATOM 779 C GLU A 52 17.184 -6.764 1.399 1.00 11.21 C ATOM 780 O GLU A 52 16.788 -6.606 2.553 1.00 11.04 O ATOM 781 CB GLU A 52 19.321 -7.951 0.867 1.00 73.44 C ATOM 782 CG GLU A 52 20.055 -9.281 0.908 1.00 44.23 C ATOM 783 CD GLU A 52 20.261 -9.791 2.321 1.00 15.50 C ATOM 784 OE1 GLU A 52 19.314 -9.695 3.130 1.00 4.41 O ATOM 785 OE2 GLU A 52 21.368 -10.286 2.617 1.00 1.24 O ATOM 0 H GLU A 52 17.681 -8.073 -1.136 1.00 11.34 H new ATOM 0 HA GLU A 52 17.555 -8.849 1.700 1.00 15.41 H new ATOM 0 HB2 GLU A 52 19.576 -7.433 -0.057 1.00 73.44 H new ATOM 0 HB3 GLU A 52 19.671 -7.327 1.689 1.00 73.44 H new ATOM 0 HG2 GLU A 52 19.492 -10.020 0.338 1.00 44.23 H new ATOM 0 HG3 GLU A 52 21.024 -9.172 0.420 1.00 44.23 H new ATOM 792 N GLU A 53 17.108 -5.815 0.471 1.00 62.10 N ATOM 793 CA GLU A 53 16.542 -4.504 0.765 1.00 44.44 C ATOM 794 C GLU A 53 15.027 -4.512 0.583 1.00 43.54 C ATOM 795 O GLU A 53 14.280 -4.135 1.486 1.00 63.10 O ATOM 796 CB GLU A 53 17.170 -3.439 -0.138 1.00 31.20 C ATOM 797 CG GLU A 53 18.512 -2.932 0.362 1.00 63.05 C ATOM 798 CD GLU A 53 18.380 -2.026 1.570 1.00 5.21 C ATOM 799 OE1 GLU A 53 17.386 -1.273 1.641 1.00 62.21 O ATOM 800 OE2 GLU A 53 19.271 -2.069 2.445 1.00 52.35 O ATOM 0 H GLU A 53 17.431 -5.930 -0.490 1.00 62.10 H new ATOM 0 HA GLU A 53 16.764 -4.265 1.805 1.00 44.44 H new ATOM 0 HB2 GLU A 53 17.297 -3.852 -1.139 1.00 31.20 H new ATOM 0 HB3 GLU A 53 16.483 -2.597 -0.225 1.00 31.20 H new ATOM 0 HG2 GLU A 53 19.145 -3.782 0.617 1.00 63.05 H new ATOM 0 HG3 GLU A 53 19.014 -2.391 -0.440 1.00 63.05 H new ATOM 807 N PHE A 54 14.581 -4.943 -0.592 1.00 53.34 N ATOM 808 CA PHE A 54 13.155 -4.999 -0.895 1.00 3.42 C ATOM 809 C PHE A 54 12.528 -6.269 -0.327 1.00 2.51 C ATOM 810 O PHE A 54 11.317 -6.470 -0.418 1.00 0.24 O ATOM 811 CB PHE A 54 12.930 -4.937 -2.407 1.00 22.40 C ATOM 812 CG PHE A 54 13.039 -3.551 -2.974 1.00 15.45 C ATOM 813 CD1 PHE A 54 12.007 -2.640 -2.812 1.00 41.41 C ATOM 814 CD2 PHE A 54 14.172 -3.158 -3.667 1.00 11.21 C ATOM 815 CE1 PHE A 54 12.104 -1.363 -3.333 1.00 70.21 C ATOM 816 CE2 PHE A 54 14.275 -1.882 -4.190 1.00 34.41 C ATOM 817 CZ PHE A 54 13.240 -0.984 -4.022 1.00 14.32 C ATOM 0 H PHE A 54 15.186 -5.259 -1.350 1.00 53.34 H new ATOM 0 HA PHE A 54 12.676 -4.138 -0.428 1.00 3.42 H new ATOM 0 HB2 PHE A 54 13.658 -5.581 -2.901 1.00 22.40 H new ATOM 0 HB3 PHE A 54 11.942 -5.338 -2.636 1.00 22.40 H new ATOM 0 HD1 PHE A 54 11.117 -2.931 -2.273 1.00 41.41 H new ATOM 0 HD2 PHE A 54 14.985 -3.857 -3.801 1.00 11.21 H new ATOM 0 HE1 PHE A 54 11.293 -0.662 -3.202 1.00 70.21 H new ATOM 0 HE2 PHE A 54 15.164 -1.588 -4.729 1.00 34.41 H new ATOM 0 HZ PHE A 54 13.318 0.013 -4.429 1.00 14.32 H new ATOM 827 N ASP A 55 13.361 -7.122 0.258 1.00 45.10 N ATOM 828 CA ASP A 55 12.890 -8.372 0.841 1.00 21.54 C ATOM 829 C ASP A 55 12.039 -9.151 -0.157 1.00 22.21 C ATOM 830 O ASP A 55 11.131 -9.889 0.227 1.00 62.52 O ATOM 831 CB ASP A 55 12.084 -8.096 2.111 1.00 14.41 C ATOM 832 CG ASP A 55 12.135 -9.250 3.093 1.00 53.13 C ATOM 833 OD1 ASP A 55 13.158 -9.966 3.114 1.00 73.20 O ATOM 834 OD2 ASP A 55 11.152 -9.436 3.840 1.00 22.33 O ATOM 0 H ASP A 55 14.366 -6.970 0.341 1.00 45.10 H new ATOM 0 HA ASP A 55 13.761 -8.975 1.097 1.00 21.54 H new ATOM 0 HB2 ASP A 55 12.467 -7.196 2.592 1.00 14.41 H new ATOM 0 HB3 ASP A 55 11.046 -7.897 1.843 1.00 14.41 H new ATOM 839 N THR A 56 12.338 -8.981 -1.441 1.00 50.12 N ATOM 840 CA THR A 56 11.600 -9.665 -2.495 1.00 33.31 C ATOM 841 C THR A 56 12.088 -11.099 -2.666 1.00 34.42 C ATOM 842 O THR A 56 13.283 -11.373 -2.569 1.00 3.05 O ATOM 843 CB THR A 56 11.728 -8.928 -3.841 1.00 41.40 C ATOM 844 OG1 THR A 56 11.075 -9.675 -4.873 1.00 52.43 O ATOM 845 CG2 THR A 56 13.190 -8.719 -4.207 1.00 31.15 C ATOM 0 H THR A 56 13.087 -8.375 -1.776 1.00 50.12 H new ATOM 0 HA THR A 56 10.553 -9.673 -2.192 1.00 33.31 H new ATOM 0 HB THR A 56 11.252 -7.953 -3.742 1.00 41.40 H new ATOM 0 HG1 THR A 56 11.389 -9.366 -5.749 1.00 52.43 H new ATOM 0 HG21 THR A 56 13.255 -8.197 -5.161 1.00 31.15 H new ATOM 0 HG22 THR A 56 13.677 -8.125 -3.434 1.00 31.15 H new ATOM 0 HG23 THR A 56 13.687 -9.686 -4.288 1.00 31.15 H new ATOM 853 N GLU A 57 11.154 -12.011 -2.921 1.00 42.25 N ATOM 854 CA GLU A 57 11.491 -13.417 -3.106 1.00 22.53 C ATOM 855 C GLU A 57 12.006 -13.673 -4.519 1.00 73.04 C ATOM 856 O GLU A 57 11.229 -13.958 -5.432 1.00 22.24 O ATOM 857 CB GLU A 57 10.271 -14.298 -2.828 1.00 52.24 C ATOM 858 CG GLU A 57 9.778 -14.220 -1.393 1.00 73.13 C ATOM 859 CD GLU A 57 8.797 -15.326 -1.053 1.00 4.34 C ATOM 860 OE1 GLU A 57 9.249 -16.458 -0.783 1.00 65.03 O ATOM 861 OE2 GLU A 57 7.578 -15.058 -1.055 1.00 54.40 O ATOM 0 H GLU A 57 10.159 -11.801 -3.004 1.00 42.25 H new ATOM 0 HA GLU A 57 12.281 -13.670 -2.399 1.00 22.53 H new ATOM 0 HB2 GLU A 57 9.462 -14.006 -3.498 1.00 52.24 H new ATOM 0 HB3 GLU A 57 10.520 -15.333 -3.062 1.00 52.24 H new ATOM 0 HG2 GLU A 57 10.631 -14.275 -0.716 1.00 73.13 H new ATOM 0 HG3 GLU A 57 9.302 -13.253 -1.228 1.00 73.13 H new ATOM 868 N ILE A 58 13.319 -13.568 -4.693 1.00 32.03 N ATOM 869 CA ILE A 58 13.937 -13.788 -5.994 1.00 61.12 C ATOM 870 C ILE A 58 14.915 -14.957 -5.948 1.00 22.14 C ATOM 871 O ILE A 58 16.126 -14.781 -5.810 1.00 11.33 O ATOM 872 CB ILE A 58 14.680 -12.531 -6.484 1.00 71.14 C ATOM 873 CG1 ILE A 58 13.723 -11.339 -6.547 1.00 41.22 C ATOM 874 CG2 ILE A 58 15.309 -12.785 -7.846 1.00 52.13 C ATOM 875 CD1 ILE A 58 14.361 -10.080 -7.093 1.00 73.54 C ATOM 0 H ILE A 58 13.975 -13.332 -3.949 1.00 32.03 H new ATOM 0 HA ILE A 58 13.131 -14.019 -6.691 1.00 61.12 H new ATOM 0 HB ILE A 58 15.475 -12.297 -5.776 1.00 71.14 H new ATOM 0 HG12 ILE A 58 12.868 -11.603 -7.169 1.00 41.22 H new ATOM 0 HG13 ILE A 58 13.340 -11.138 -5.547 1.00 41.22 H new ATOM 0 HG21 ILE A 58 15.830 -11.888 -8.179 1.00 52.13 H new ATOM 0 HG22 ILE A 58 16.018 -13.610 -7.771 1.00 52.13 H new ATOM 0 HG23 ILE A 58 14.530 -13.040 -8.565 1.00 52.13 H new ATOM 0 HD11 ILE A 58 13.625 -9.276 -7.109 1.00 73.54 H new ATOM 0 HD12 ILE A 58 15.199 -9.792 -6.458 1.00 73.54 H new ATOM 0 HD13 ILE A 58 14.720 -10.264 -8.106 1.00 73.54 H new ATOM 887 N PRO A 59 14.380 -16.181 -6.067 1.00 23.31 N ATOM 888 CA PRO A 59 15.188 -17.404 -6.044 1.00 25.02 C ATOM 889 C PRO A 59 16.051 -17.552 -7.292 1.00 62.43 C ATOM 890 O PRO A 59 16.158 -16.628 -8.098 1.00 54.23 O ATOM 891 CB PRO A 59 14.142 -18.520 -5.981 1.00 43.41 C ATOM 892 CG PRO A 59 12.919 -17.927 -6.591 1.00 1.43 C ATOM 893 CD PRO A 59 12.945 -16.466 -6.234 1.00 42.02 C ATOM 0 HA PRO A 59 15.890 -17.413 -5.211 1.00 25.02 H new ATOM 0 HB2 PRO A 59 14.471 -19.402 -6.530 1.00 43.41 H new ATOM 0 HB3 PRO A 59 13.959 -18.834 -4.953 1.00 43.41 H new ATOM 0 HG2 PRO A 59 12.916 -18.065 -7.672 1.00 1.43 H new ATOM 0 HG3 PRO A 59 12.019 -18.407 -6.206 1.00 1.43 H new ATOM 0 HD2 PRO A 59 12.502 -15.853 -7.019 1.00 42.02 H new ATOM 0 HD3 PRO A 59 12.386 -16.266 -5.320 1.00 42.02 H new ATOM 901 N ASP A 60 16.665 -18.721 -7.446 1.00 53.54 N ATOM 902 CA ASP A 60 17.517 -18.990 -8.598 1.00 62.44 C ATOM 903 C ASP A 60 16.763 -18.746 -9.902 1.00 0.03 C ATOM 904 O ASP A 60 17.238 -18.024 -10.778 1.00 34.11 O ATOM 905 CB ASP A 60 18.030 -20.431 -8.554 1.00 3.51 C ATOM 906 CG ASP A 60 19.324 -20.608 -9.324 1.00 30.31 C ATOM 907 OD1 ASP A 60 20.031 -19.601 -9.537 1.00 61.03 O ATOM 908 OD2 ASP A 60 19.630 -21.755 -9.713 1.00 11.25 O ATOM 0 H ASP A 60 16.588 -19.496 -6.788 1.00 53.54 H new ATOM 0 HA ASP A 60 18.366 -18.308 -8.557 1.00 62.44 H new ATOM 0 HB2 ASP A 60 18.184 -20.727 -7.516 1.00 3.51 H new ATOM 0 HB3 ASP A 60 17.271 -21.097 -8.966 1.00 3.51 H new ATOM 913 N GLU A 61 15.587 -19.354 -10.022 1.00 13.52 N ATOM 914 CA GLU A 61 14.769 -19.203 -11.219 1.00 54.33 C ATOM 915 C GLU A 61 14.534 -17.728 -11.536 1.00 62.40 C ATOM 916 O GLU A 61 14.966 -17.231 -12.575 1.00 41.51 O ATOM 917 CB GLU A 61 13.427 -19.917 -11.041 1.00 1.22 C ATOM 918 CG GLU A 61 13.475 -21.397 -11.381 1.00 44.24 C ATOM 919 CD GLU A 61 13.319 -21.659 -12.867 1.00 2.12 C ATOM 920 OE1 GLU A 61 12.218 -21.410 -13.401 1.00 65.32 O ATOM 921 OE2 GLU A 61 14.299 -22.113 -13.495 1.00 11.34 O ATOM 0 H GLU A 61 15.180 -19.955 -9.305 1.00 13.52 H new ATOM 0 HA GLU A 61 15.306 -19.655 -12.053 1.00 54.33 H new ATOM 0 HB2 GLU A 61 13.097 -19.801 -10.009 1.00 1.22 H new ATOM 0 HB3 GLU A 61 12.681 -19.432 -11.671 1.00 1.22 H new ATOM 0 HG2 GLU A 61 14.423 -21.814 -11.040 1.00 44.24 H new ATOM 0 HG3 GLU A 61 12.685 -21.916 -10.839 1.00 44.24 H new ATOM 928 N GLU A 62 13.847 -17.037 -10.632 1.00 74.14 N ATOM 929 CA GLU A 62 13.554 -15.621 -10.816 1.00 54.53 C ATOM 930 C GLU A 62 14.839 -14.818 -10.999 1.00 72.44 C ATOM 931 O GLU A 62 14.828 -13.732 -11.576 1.00 53.45 O ATOM 932 CB GLU A 62 12.768 -15.080 -9.620 1.00 1.13 C ATOM 933 CG GLU A 62 11.445 -15.790 -9.389 1.00 71.40 C ATOM 934 CD GLU A 62 10.440 -15.526 -10.494 1.00 3.35 C ATOM 935 OE1 GLU A 62 10.695 -15.947 -11.641 1.00 54.11 O ATOM 936 OE2 GLU A 62 9.399 -14.897 -10.209 1.00 60.24 O ATOM 0 H GLU A 62 13.483 -17.434 -9.766 1.00 74.14 H new ATOM 0 HA GLU A 62 12.949 -15.516 -11.717 1.00 54.53 H new ATOM 0 HB2 GLU A 62 13.380 -15.170 -8.723 1.00 1.13 H new ATOM 0 HB3 GLU A 62 12.579 -14.017 -9.771 1.00 1.13 H new ATOM 0 HG2 GLU A 62 11.621 -16.863 -9.312 1.00 71.40 H new ATOM 0 HG3 GLU A 62 11.025 -15.467 -8.436 1.00 71.40 H new ATOM 943 N ALA A 63 15.945 -15.363 -10.503 1.00 11.21 N ATOM 944 CA ALA A 63 17.238 -14.700 -10.612 1.00 43.35 C ATOM 945 C ALA A 63 17.804 -14.829 -12.023 1.00 13.22 C ATOM 946 O ALA A 63 18.547 -13.964 -12.484 1.00 51.53 O ATOM 947 CB ALA A 63 18.214 -15.274 -9.596 1.00 72.40 C ATOM 0 H ALA A 63 15.971 -16.262 -10.022 1.00 11.21 H new ATOM 0 HA ALA A 63 17.093 -13.640 -10.402 1.00 43.35 H new ATOM 0 HB1 ALA A 63 19.175 -14.769 -9.689 1.00 72.40 H new ATOM 0 HB2 ALA A 63 17.822 -15.125 -8.590 1.00 72.40 H new ATOM 0 HB3 ALA A 63 18.345 -16.340 -9.780 1.00 72.40 H new ATOM 953 N GLU A 64 17.447 -15.915 -12.701 1.00 52.25 N ATOM 954 CA GLU A 64 17.921 -16.156 -14.059 1.00 60.41 C ATOM 955 C GLU A 64 17.155 -15.300 -15.063 1.00 43.14 C ATOM 956 O GLU A 64 17.704 -14.874 -16.080 1.00 2.12 O ATOM 957 CB GLU A 64 17.775 -17.637 -14.418 1.00 54.43 C ATOM 958 CG GLU A 64 18.913 -18.503 -13.906 1.00 1.30 C ATOM 959 CD GLU A 64 20.077 -18.570 -14.876 1.00 32.12 C ATOM 960 OE1 GLU A 64 19.878 -19.061 -16.007 1.00 11.01 O ATOM 961 OE2 GLU A 64 21.186 -18.133 -14.504 1.00 53.32 O ATOM 0 H GLU A 64 16.832 -16.641 -12.333 1.00 52.25 H new ATOM 0 HA GLU A 64 18.975 -15.881 -14.103 1.00 60.41 H new ATOM 0 HB2 GLU A 64 16.835 -18.010 -14.011 1.00 54.43 H new ATOM 0 HB3 GLU A 64 17.714 -17.735 -15.502 1.00 54.43 H new ATOM 0 HG2 GLU A 64 19.263 -18.110 -12.951 1.00 1.30 H new ATOM 0 HG3 GLU A 64 18.542 -19.511 -13.719 1.00 1.30 H new ATOM 968 N LYS A 65 15.883 -15.052 -14.772 1.00 10.24 N ATOM 969 CA LYS A 65 15.040 -14.246 -15.647 1.00 32.12 C ATOM 970 C LYS A 65 15.281 -12.758 -15.415 1.00 54.21 C ATOM 971 O LYS A 65 15.175 -11.951 -16.340 1.00 23.43 O ATOM 972 CB LYS A 65 13.564 -14.577 -15.414 1.00 20.24 C ATOM 973 CG LYS A 65 13.003 -13.987 -14.131 1.00 45.13 C ATOM 974 CD LYS A 65 11.511 -14.245 -14.004 1.00 65.21 C ATOM 975 CE LYS A 65 10.881 -13.360 -12.940 1.00 24.14 C ATOM 976 NZ LYS A 65 9.443 -13.683 -12.730 1.00 53.24 N ATOM 0 H LYS A 65 15.412 -15.398 -13.936 1.00 10.24 H new ATOM 0 HA LYS A 65 15.300 -14.482 -16.679 1.00 32.12 H new ATOM 0 HB2 LYS A 65 12.980 -14.210 -16.258 1.00 20.24 H new ATOM 0 HB3 LYS A 65 13.443 -15.660 -15.389 1.00 20.24 H new ATOM 0 HG2 LYS A 65 13.522 -14.417 -13.274 1.00 45.13 H new ATOM 0 HG3 LYS A 65 13.190 -12.913 -14.111 1.00 45.13 H new ATOM 0 HD2 LYS A 65 11.026 -14.064 -14.963 1.00 65.21 H new ATOM 0 HD3 LYS A 65 11.342 -15.292 -13.754 1.00 65.21 H new ATOM 0 HE2 LYS A 65 11.421 -13.481 -12.001 1.00 24.14 H new ATOM 0 HE3 LYS A 65 10.979 -12.315 -13.232 1.00 24.14 H new ATOM 0 HZ1 LYS A 65 8.859 -12.871 -13.016 1.00 53.24 H new ATOM 0 HZ2 LYS A 65 9.186 -14.513 -13.302 1.00 53.24 H new ATOM 0 HZ3 LYS A 65 9.277 -13.891 -11.725 1.00 53.24 H new ATOM 990 N ILE A 66 15.605 -12.401 -14.177 1.00 23.41 N ATOM 991 CA ILE A 66 15.863 -11.010 -13.826 1.00 25.52 C ATOM 992 C ILE A 66 17.343 -10.671 -13.974 1.00 72.54 C ATOM 993 O ILE A 66 18.099 -10.701 -13.003 1.00 42.10 O ATOM 994 CB ILE A 66 15.420 -10.702 -12.383 1.00 62.44 C ATOM 995 CG1 ILE A 66 13.915 -10.931 -12.229 1.00 41.35 C ATOM 996 CG2 ILE A 66 15.785 -9.273 -12.011 1.00 24.21 C ATOM 997 CD1 ILE A 66 13.076 -10.061 -13.139 1.00 12.54 C ATOM 0 H ILE A 66 15.695 -13.056 -13.400 1.00 23.41 H new ATOM 0 HA ILE A 66 15.281 -10.398 -14.515 1.00 25.52 H new ATOM 0 HB ILE A 66 15.942 -11.378 -11.706 1.00 62.44 H new ATOM 0 HG12 ILE A 66 13.692 -11.978 -12.434 1.00 41.35 H new ATOM 0 HG13 ILE A 66 13.631 -10.741 -11.194 1.00 41.35 H new ATOM 0 HG21 ILE A 66 15.466 -9.070 -10.989 1.00 24.21 H new ATOM 0 HG22 ILE A 66 16.864 -9.142 -12.087 1.00 24.21 H new ATOM 0 HG23 ILE A 66 15.287 -8.582 -12.691 1.00 24.21 H new ATOM 0 HD11 ILE A 66 12.020 -10.276 -12.976 1.00 12.54 H new ATOM 0 HD12 ILE A 66 13.270 -9.011 -12.919 1.00 12.54 H new ATOM 0 HD13 ILE A 66 13.333 -10.268 -14.178 1.00 12.54 H new ATOM 1009 N THR A 67 17.750 -10.347 -15.198 1.00 21.42 N ATOM 1010 CA THR A 67 19.139 -10.002 -15.474 1.00 54.35 C ATOM 1011 C THR A 67 19.245 -8.618 -16.106 1.00 25.24 C ATOM 1012 O THR A 67 20.254 -8.284 -16.728 1.00 4.22 O ATOM 1013 CB THR A 67 19.799 -11.032 -16.410 1.00 34.43 C ATOM 1014 OG1 THR A 67 21.174 -10.694 -16.618 1.00 63.43 O ATOM 1015 CG2 THR A 67 19.077 -11.090 -17.748 1.00 14.45 C ATOM 0 H THR A 67 17.138 -10.316 -16.013 1.00 21.42 H new ATOM 0 HA THR A 67 19.662 -10.004 -14.517 1.00 54.35 H new ATOM 0 HB THR A 67 19.734 -12.012 -15.938 1.00 34.43 H new ATOM 0 HG1 THR A 67 21.271 -9.719 -16.642 1.00 63.43 H new ATOM 0 HG21 THR A 67 19.562 -11.824 -18.391 1.00 14.45 H new ATOM 0 HG22 THR A 67 18.038 -11.377 -17.588 1.00 14.45 H new ATOM 0 HG23 THR A 67 19.114 -10.110 -18.224 1.00 14.45 H new ATOM 1023 N THR A 68 18.199 -7.815 -15.941 1.00 74.34 N ATOM 1024 CA THR A 68 18.175 -6.468 -16.496 1.00 13.55 C ATOM 1025 C THR A 68 17.547 -5.482 -15.517 1.00 2.33 C ATOM 1026 O THR A 68 16.775 -5.869 -14.640 1.00 15.41 O ATOM 1027 CB THR A 68 17.397 -6.420 -17.824 1.00 74.11 C ATOM 1028 OG1 THR A 68 16.156 -7.122 -17.690 1.00 54.23 O ATOM 1029 CG2 THR A 68 18.213 -7.034 -18.952 1.00 1.45 C ATOM 0 H THR A 68 17.357 -8.074 -15.427 1.00 74.34 H new ATOM 0 HA THR A 68 19.211 -6.184 -16.681 1.00 13.55 H new ATOM 0 HB THR A 68 17.199 -5.376 -18.066 1.00 74.11 H new ATOM 0 HG1 THR A 68 15.666 -7.086 -18.538 1.00 54.23 H new ATOM 0 HG21 THR A 68 17.643 -6.989 -19.880 1.00 1.45 H new ATOM 0 HG22 THR A 68 19.144 -6.480 -19.071 1.00 1.45 H new ATOM 0 HG23 THR A 68 18.437 -8.074 -18.714 1.00 1.45 H new ATOM 1037 N VAL A 69 17.884 -4.205 -15.672 1.00 74.13 N ATOM 1038 CA VAL A 69 17.351 -3.163 -14.803 1.00 2.22 C ATOM 1039 C VAL A 69 15.827 -3.169 -14.807 1.00 33.42 C ATOM 1040 O VAL A 69 15.195 -3.380 -13.772 1.00 21.11 O ATOM 1041 CB VAL A 69 17.849 -1.769 -15.228 1.00 53.44 C ATOM 1042 CG1 VAL A 69 17.306 -0.699 -14.293 1.00 75.20 C ATOM 1043 CG2 VAL A 69 19.369 -1.734 -15.265 1.00 61.20 C ATOM 0 H VAL A 69 18.524 -3.868 -16.391 1.00 74.13 H new ATOM 0 HA VAL A 69 17.709 -3.378 -13.796 1.00 2.22 H new ATOM 0 HB VAL A 69 17.479 -1.562 -16.232 1.00 53.44 H new ATOM 0 HG11 VAL A 69 17.669 0.279 -14.609 1.00 75.20 H new ATOM 0 HG12 VAL A 69 16.216 -0.709 -14.323 1.00 75.20 H new ATOM 0 HG13 VAL A 69 17.643 -0.899 -13.276 1.00 75.20 H new ATOM 0 HG21 VAL A 69 19.703 -0.741 -15.567 1.00 61.20 H new ATOM 0 HG22 VAL A 69 19.762 -1.963 -14.275 1.00 61.20 H new ATOM 0 HG23 VAL A 69 19.733 -2.472 -15.980 1.00 61.20 H new ATOM 1053 N GLN A 70 15.243 -2.938 -15.978 1.00 15.21 N ATOM 1054 CA GLN A 70 13.791 -2.917 -16.116 1.00 41.02 C ATOM 1055 C GLN A 70 13.167 -4.162 -15.495 1.00 62.42 C ATOM 1056 O GLN A 70 12.144 -4.083 -14.816 1.00 70.13 O ATOM 1057 CB GLN A 70 13.400 -2.817 -17.592 1.00 34.55 C ATOM 1058 CG GLN A 70 11.898 -2.740 -17.819 1.00 5.13 C ATOM 1059 CD GLN A 70 11.336 -1.361 -17.537 1.00 0.33 C ATOM 1060 OE1 GLN A 70 11.149 -0.555 -18.449 1.00 72.53 O ATOM 1061 NE2 GLN A 70 11.063 -1.081 -16.268 1.00 12.42 N ATOM 0 H GLN A 70 15.752 -2.763 -16.844 1.00 15.21 H new ATOM 0 HA GLN A 70 13.413 -2.042 -15.587 1.00 41.02 H new ATOM 0 HB2 GLN A 70 13.870 -1.934 -18.025 1.00 34.55 H new ATOM 0 HB3 GLN A 70 13.796 -3.682 -18.124 1.00 34.55 H new ATOM 0 HG2 GLN A 70 11.676 -3.015 -18.850 1.00 5.13 H new ATOM 0 HG3 GLN A 70 11.400 -3.469 -17.180 1.00 5.13 H new ATOM 0 HE21 GLN A 70 11.233 -1.779 -15.544 1.00 12.42 H new ATOM 0 HE22 GLN A 70 10.683 -0.168 -16.018 1.00 12.42 H new ATOM 1070 N ALA A 71 13.791 -5.312 -15.733 1.00 54.20 N ATOM 1071 CA ALA A 71 13.297 -6.574 -15.196 1.00 3.23 C ATOM 1072 C ALA A 71 13.342 -6.576 -13.671 1.00 63.44 C ATOM 1073 O ALA A 71 12.385 -6.984 -13.014 1.00 5.04 O ATOM 1074 CB ALA A 71 14.106 -7.736 -15.752 1.00 24.35 C ATOM 0 H ALA A 71 14.639 -5.395 -16.294 1.00 54.20 H new ATOM 0 HA ALA A 71 12.258 -6.690 -15.503 1.00 3.23 H new ATOM 0 HB1 ALA A 71 13.727 -8.672 -15.343 1.00 24.35 H new ATOM 0 HB2 ALA A 71 14.019 -7.753 -16.838 1.00 24.35 H new ATOM 0 HB3 ALA A 71 15.153 -7.616 -15.474 1.00 24.35 H new ATOM 1080 N ALA A 72 14.460 -6.120 -13.116 1.00 41.33 N ATOM 1081 CA ALA A 72 14.629 -6.068 -11.669 1.00 73.44 C ATOM 1082 C ALA A 72 13.659 -5.075 -11.038 1.00 51.05 C ATOM 1083 O ALA A 72 12.883 -5.429 -10.150 1.00 63.42 O ATOM 1084 CB ALA A 72 16.064 -5.704 -11.318 1.00 35.01 C ATOM 0 H ALA A 72 15.262 -5.781 -13.647 1.00 41.33 H new ATOM 0 HA ALA A 72 14.408 -7.057 -11.266 1.00 73.44 H new ATOM 0 HB1 ALA A 72 16.176 -5.669 -10.234 1.00 35.01 H new ATOM 0 HB2 ALA A 72 16.740 -6.454 -11.728 1.00 35.01 H new ATOM 0 HB3 ALA A 72 16.305 -4.728 -11.740 1.00 35.01 H new ATOM 1090 N ILE A 73 13.709 -3.831 -11.502 1.00 53.22 N ATOM 1091 CA ILE A 73 12.834 -2.787 -10.983 1.00 11.01 C ATOM 1092 C ILE A 73 11.368 -3.191 -11.098 1.00 51.42 C ATOM 1093 O ILE A 73 10.551 -2.852 -10.241 1.00 61.43 O ATOM 1094 CB ILE A 73 13.047 -1.454 -11.723 1.00 44.45 C ATOM 1095 CG1 ILE A 73 12.284 -0.328 -11.023 1.00 34.01 C ATOM 1096 CG2 ILE A 73 12.607 -1.577 -13.174 1.00 75.03 C ATOM 1097 CD1 ILE A 73 13.131 0.465 -10.053 1.00 22.33 C ATOM 0 H ILE A 73 14.346 -3.522 -12.236 1.00 53.22 H new ATOM 0 HA ILE A 73 13.091 -2.654 -9.932 1.00 11.01 H new ATOM 0 HB ILE A 73 14.110 -1.212 -11.705 1.00 44.45 H new ATOM 0 HG12 ILE A 73 11.879 0.348 -11.776 1.00 34.01 H new ATOM 0 HG13 ILE A 73 11.435 -0.754 -10.488 1.00 34.01 H new ATOM 0 HG21 ILE A 73 12.764 -0.626 -13.684 1.00 75.03 H new ATOM 0 HG22 ILE A 73 13.192 -2.354 -13.667 1.00 75.03 H new ATOM 0 HG23 ILE A 73 11.550 -1.839 -13.213 1.00 75.03 H new ATOM 0 HD11 ILE A 73 12.524 1.246 -9.594 1.00 22.33 H new ATOM 0 HD12 ILE A 73 13.515 -0.199 -9.278 1.00 22.33 H new ATOM 0 HD13 ILE A 73 13.965 0.920 -10.586 1.00 22.33 H new ATOM 1109 N ASP A 74 11.042 -3.917 -12.162 1.00 10.14 N ATOM 1110 CA ASP A 74 9.674 -4.370 -12.388 1.00 45.11 C ATOM 1111 C ASP A 74 9.289 -5.456 -11.389 1.00 24.32 C ATOM 1112 O ASP A 74 8.154 -5.504 -10.915 1.00 51.10 O ATOM 1113 CB ASP A 74 9.518 -4.895 -13.816 1.00 43.32 C ATOM 1114 CG ASP A 74 8.078 -5.217 -14.160 1.00 75.42 C ATOM 1115 OD1 ASP A 74 7.657 -6.371 -13.932 1.00 72.23 O ATOM 1116 OD2 ASP A 74 7.370 -4.316 -14.656 1.00 43.04 O ATOM 0 H ASP A 74 11.706 -4.204 -12.881 1.00 10.14 H new ATOM 0 HA ASP A 74 9.008 -3.519 -12.247 1.00 45.11 H new ATOM 0 HB2 ASP A 74 9.898 -4.152 -14.517 1.00 43.32 H new ATOM 0 HB3 ASP A 74 10.127 -5.791 -13.939 1.00 43.32 H new ATOM 1121 N TYR A 75 10.242 -6.327 -11.074 1.00 35.33 N ATOM 1122 CA TYR A 75 10.001 -7.416 -10.134 1.00 2.45 C ATOM 1123 C TYR A 75 9.693 -6.874 -8.741 1.00 30.21 C ATOM 1124 O TYR A 75 8.628 -7.136 -8.182 1.00 12.21 O ATOM 1125 CB TYR A 75 11.215 -8.344 -10.075 1.00 22.22 C ATOM 1126 CG TYR A 75 10.921 -9.686 -9.443 1.00 2.03 C ATOM 1127 CD1 TYR A 75 10.649 -9.791 -8.084 1.00 52.02 C ATOM 1128 CD2 TYR A 75 10.917 -10.849 -10.203 1.00 54.54 C ATOM 1129 CE1 TYR A 75 10.380 -11.015 -7.502 1.00 43.30 C ATOM 1130 CE2 TYR A 75 10.648 -12.076 -9.630 1.00 73.21 C ATOM 1131 CZ TYR A 75 10.380 -12.154 -8.279 1.00 64.22 C ATOM 1132 OH TYR A 75 10.113 -13.376 -7.704 1.00 45.50 O ATOM 0 H TYR A 75 11.188 -6.300 -11.455 1.00 35.33 H new ATOM 0 HA TYR A 75 9.137 -7.981 -10.484 1.00 2.45 H new ATOM 0 HB2 TYR A 75 11.590 -8.502 -11.086 1.00 22.22 H new ATOM 0 HB3 TYR A 75 12.010 -7.853 -9.513 1.00 22.22 H new ATOM 0 HD1 TYR A 75 10.648 -8.901 -7.473 1.00 52.02 H new ATOM 0 HD2 TYR A 75 11.128 -10.792 -11.261 1.00 54.54 H new ATOM 0 HE1 TYR A 75 10.171 -11.079 -6.444 1.00 43.30 H new ATOM 0 HE2 TYR A 75 10.647 -12.970 -10.236 1.00 73.21 H new ATOM 0 HH TYR A 75 10.337 -13.345 -6.750 1.00 45.50 H new ATOM 1142 N VAL A 76 10.634 -6.117 -8.186 1.00 11.20 N ATOM 1143 CA VAL A 76 10.464 -5.536 -6.859 1.00 41.15 C ATOM 1144 C VAL A 76 9.232 -4.640 -6.806 1.00 12.05 C ATOM 1145 O VAL A 76 8.489 -4.648 -5.825 1.00 74.03 O ATOM 1146 CB VAL A 76 11.700 -4.716 -6.443 1.00 71.23 C ATOM 1147 CG1 VAL A 76 12.897 -5.629 -6.223 1.00 52.31 C ATOM 1148 CG2 VAL A 76 12.012 -3.656 -7.489 1.00 23.23 C ATOM 0 H VAL A 76 11.522 -5.892 -8.634 1.00 11.20 H new ATOM 0 HA VAL A 76 10.337 -6.366 -6.164 1.00 41.15 H new ATOM 0 HB VAL A 76 11.481 -4.212 -5.502 1.00 71.23 H new ATOM 0 HG11 VAL A 76 13.761 -5.032 -5.930 1.00 52.31 H new ATOM 0 HG12 VAL A 76 12.667 -6.347 -5.435 1.00 52.31 H new ATOM 0 HG13 VAL A 76 13.122 -6.163 -7.146 1.00 52.31 H new ATOM 0 HG21 VAL A 76 12.888 -3.086 -7.179 1.00 23.23 H new ATOM 0 HG22 VAL A 76 12.212 -4.137 -8.446 1.00 23.23 H new ATOM 0 HG23 VAL A 76 11.160 -2.984 -7.592 1.00 23.23 H new ATOM 1158 N ASN A 77 9.021 -3.868 -7.867 1.00 22.12 N ATOM 1159 CA ASN A 77 7.878 -2.965 -7.941 1.00 22.43 C ATOM 1160 C ASN A 77 6.569 -3.748 -7.984 1.00 41.30 C ATOM 1161 O ASN A 77 5.539 -3.281 -7.498 1.00 31.31 O ATOM 1162 CB ASN A 77 7.990 -2.067 -9.174 1.00 72.55 C ATOM 1163 CG ASN A 77 6.915 -0.998 -9.211 1.00 31.34 C ATOM 1164 OD1 ASN A 77 5.753 -1.280 -9.505 1.00 62.01 O ATOM 1165 ND2 ASN A 77 7.299 0.237 -8.911 1.00 21.14 N ATOM 0 H ASN A 77 9.627 -3.850 -8.688 1.00 22.12 H new ATOM 0 HA ASN A 77 7.879 -2.343 -7.046 1.00 22.43 H new ATOM 0 HB2 ASN A 77 8.971 -1.592 -9.186 1.00 72.55 H new ATOM 0 HB3 ASN A 77 7.921 -2.679 -10.073 1.00 72.55 H new ATOM 0 HD21 ASN A 77 6.620 0.998 -8.918 1.00 21.14 H new ATOM 0 HD22 ASN A 77 8.273 0.425 -8.673 1.00 21.14 H new ATOM 1172 N SER A 78 6.618 -4.940 -8.569 1.00 72.21 N ATOM 1173 CA SER A 78 5.435 -5.787 -8.679 1.00 45.41 C ATOM 1174 C SER A 78 5.238 -6.612 -7.411 1.00 44.11 C ATOM 1175 O SER A 78 4.120 -7.007 -7.081 1.00 54.11 O ATOM 1176 CB SER A 78 5.556 -6.713 -9.891 1.00 23.04 C ATOM 1177 OG SER A 78 4.370 -7.466 -10.077 1.00 44.01 O ATOM 0 H SER A 78 7.464 -5.342 -8.974 1.00 72.21 H new ATOM 0 HA SER A 78 4.567 -5.141 -8.810 1.00 45.41 H new ATOM 0 HB2 SER A 78 5.760 -6.123 -10.785 1.00 23.04 H new ATOM 0 HB3 SER A 78 6.401 -7.388 -9.755 1.00 23.04 H new ATOM 0 HG SER A 78 4.472 -8.049 -10.858 1.00 44.01 H new ATOM 1183 N HIS A 79 6.334 -6.869 -6.704 1.00 20.13 N ATOM 1184 CA HIS A 79 6.283 -7.647 -5.471 1.00 30.10 C ATOM 1185 C HIS A 79 6.144 -6.733 -4.257 1.00 74.32 C ATOM 1186 O HIS A 79 6.983 -6.750 -3.357 1.00 73.22 O ATOM 1187 CB HIS A 79 7.539 -8.508 -5.334 1.00 70.21 C ATOM 1188 CG HIS A 79 7.473 -9.791 -6.105 1.00 11.41 C ATOM 1189 ND1 HIS A 79 7.192 -9.844 -7.454 1.00 34.32 N ATOM 1190 CD2 HIS A 79 7.656 -11.072 -5.709 1.00 35.01 C ATOM 1191 CE1 HIS A 79 7.202 -11.103 -7.854 1.00 22.43 C ATOM 1192 NE2 HIS A 79 7.482 -11.868 -6.814 1.00 33.51 N ATOM 0 H HIS A 79 7.268 -6.550 -6.963 1.00 20.13 H new ATOM 0 HA HIS A 79 5.409 -8.297 -5.517 1.00 30.10 H new ATOM 0 HB2 HIS A 79 8.402 -7.934 -5.673 1.00 70.21 H new ATOM 0 HB3 HIS A 79 7.701 -8.735 -4.280 1.00 70.21 H new ATOM 0 HD2 HIS A 79 7.894 -11.406 -4.710 1.00 35.01 H new ATOM 0 HE1 HIS A 79 7.013 -11.448 -8.860 1.00 22.43 H new ATOM 0 HE2 HIS A 79 7.557 -12.885 -6.829 1.00 33.51 H new ATOM 1200 N GLN A 80 5.079 -5.937 -4.241 1.00 24.21 N ATOM 1201 CA GLN A 80 4.832 -5.016 -3.138 1.00 40.22 C ATOM 1202 C GLN A 80 4.209 -5.743 -1.951 1.00 11.51 C ATOM 1203 O GLN A 80 3.195 -6.427 -2.091 1.00 72.12 O ATOM 1204 CB GLN A 80 3.916 -3.878 -3.592 1.00 45.34 C ATOM 1205 CG GLN A 80 4.665 -2.693 -4.182 1.00 71.33 C ATOM 1206 CD GLN A 80 3.774 -1.799 -5.021 1.00 14.42 C ATOM 1207 OE1 GLN A 80 2.589 -1.632 -4.727 1.00 45.32 O ATOM 1208 NE2 GLN A 80 4.339 -1.217 -6.072 1.00 1.10 N ATOM 0 H GLN A 80 4.375 -5.912 -4.978 1.00 24.21 H new ATOM 0 HA GLN A 80 5.789 -4.600 -2.824 1.00 40.22 H new ATOM 0 HB2 GLN A 80 3.215 -4.261 -4.334 1.00 45.34 H new ATOM 0 HB3 GLN A 80 3.325 -3.537 -2.742 1.00 45.34 H new ATOM 0 HG2 GLN A 80 5.104 -2.107 -3.375 1.00 71.33 H new ATOM 0 HG3 GLN A 80 5.489 -3.058 -4.796 1.00 71.33 H new ATOM 0 HE21 GLN A 80 5.324 -1.383 -6.279 1.00 1.10 H new ATOM 0 HE22 GLN A 80 3.788 -0.604 -6.673 1.00 1.10 H new