USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1009 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 107 GLN : amide:sc= 0.792 K(o=2.3,f=-7.1!) USER MOD Set 1.2: A 109 LYS NZ :NH3+ -154:sc= 1.53 (180deg=0.452) USER MOD Set 2.1: A 74 MET CE :methyl -160:sc= -0.0347 (180deg=-0.296) USER MOD Set 2.2: A 77 SER OG : rot 78:sc= 1.04 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -0.0276 USER MOD Set 3.2: A 31 GLN : amide:sc= -0.192 X(o=-0.22,f=-0.36) USER MOD Set 4.1: A 17 SER OG : rot 54:sc= 1.2 USER MOD Set 4.2: A 98 MET CE :methyl 143:sc= 0 (180deg=-0.049) USER MOD Set 5.1: A 9 TYR OH : rot -25:sc= 0.705 USER MOD Set 5.2: A 11 GLN : amide:sc= 1.28 K(o=2,f=-0.62) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 THR OG1 : rot -120:sc= -0.0213 USER MOD Single : A 16 THR OG1 : rot 90:sc= -0.12 USER MOD Single : A 20 ASN : amide:sc= -0.329 K(o=-0.33,f=-3!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.0358 (180deg=-0.771) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.05) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.475) USER MOD Single : A 50 MET CE :methyl 162:sc= -1.44 (180deg=-2.89!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 78:sc= 0.961 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= 1.28 (180deg=0.498) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.093 K(o=-0.093,f=-7.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.0848 (180deg=-0.972) USER MOD Single : A 76 LYS NZ :NH3+ -135:sc= 0.94 (180deg=0.0796) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 84 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.078) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.0468 X(o=0.047,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -85:sc= 1.22 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -29:sc= 0.0365 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 68:sc= 0.316 USER MOD Single : A 121 GLN : amide:sc= -0.14 K(o=-0.14,f=-3.3!) USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= -0.0092 (180deg=-0.0959) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.094 17.244 -0.170 1.00 0.00 N ATOM 2 CA GLY A 1 -22.805 15.833 -0.442 1.00 0.00 C ATOM 3 C GLY A 1 -21.588 15.386 0.335 1.00 0.00 C ATOM 4 O GLY A 1 -21.600 15.461 1.565 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.933 17.537 -0.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.275 17.372 0.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.279 17.826 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.664 15.220 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.636 15.689 -1.509 1.00 0.00 H new ATOM 8 N ALA A 2 -20.546 14.903 -0.357 1.00 0.00 N ATOM 9 CA ALA A 2 -19.405 14.200 0.236 1.00 0.00 C ATOM 10 C ALA A 2 -19.869 13.090 1.193 1.00 0.00 C ATOM 11 O ALA A 2 -19.352 12.920 2.298 1.00 0.00 O ATOM 12 CB ALA A 2 -18.409 15.193 0.852 1.00 0.00 C ATOM 0 H ALA A 2 -20.474 14.994 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.855 13.685 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.571 14.647 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.041 15.867 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.906 15.772 1.630 1.00 0.00 H new ATOM 18 N GLU A 3 -20.904 12.369 0.779 1.00 0.00 N ATOM 19 CA GLU A 3 -21.320 11.094 1.343 1.00 0.00 C ATOM 20 C GLU A 3 -20.252 10.027 1.041 1.00 0.00 C ATOM 21 O GLU A 3 -19.285 10.304 0.318 1.00 0.00 O ATOM 22 CB GLU A 3 -22.678 10.678 0.749 1.00 0.00 C ATOM 23 CG GLU A 3 -23.760 11.778 0.734 1.00 0.00 C ATOM 24 CD GLU A 3 -23.811 12.589 -0.569 1.00 0.00 C ATOM 25 OE1 GLU A 3 -22.765 12.799 -1.232 1.00 0.00 O ATOM 26 OE2 GLU A 3 -24.906 13.073 -0.933 1.00 0.00 O ATOM 0 H GLU A 3 -21.500 12.671 0.009 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.429 11.191 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -22.518 10.335 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -23.057 9.827 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -24.734 11.317 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -23.582 12.459 1.566 1.00 0.00 H new ATOM 33 N ALA A 4 -20.453 8.803 1.538 1.00 0.00 N ATOM 34 CA ALA A 4 -19.616 7.626 1.305 1.00 0.00 C ATOM 35 C ALA A 4 -19.681 7.120 -0.149 1.00 0.00 C ATOM 36 O ALA A 4 -20.126 6.003 -0.428 1.00 0.00 O ATOM 37 CB ALA A 4 -19.975 6.524 2.303 1.00 0.00 C ATOM 0 H ALA A 4 -21.246 8.597 2.145 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.580 7.924 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.347 5.651 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.811 6.885 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.023 6.249 2.180 1.00 0.00 H new ATOM 43 N LEU A 5 -19.198 7.932 -1.085 1.00 0.00 N ATOM 44 CA LEU A 5 -18.879 7.554 -2.444 1.00 0.00 C ATOM 45 C LEU A 5 -17.929 6.336 -2.488 1.00 0.00 C ATOM 46 O LEU A 5 -17.212 6.071 -1.519 1.00 0.00 O ATOM 47 CB LEU A 5 -18.642 8.792 -3.347 1.00 0.00 C ATOM 48 CG LEU A 5 -17.558 9.725 -3.037 1.00 0.00 C ATOM 49 CD1 LEU A 5 -16.413 8.841 -2.616 1.00 0.00 C ATOM 50 CD2 LEU A 5 -17.283 10.838 -4.054 1.00 0.00 C ATOM 0 H LEU A 5 -19.012 8.918 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.739 7.127 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -18.476 8.427 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -19.569 9.365 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.828 10.402 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.551 9.458 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.707 8.254 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.151 8.170 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.457 11.456 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.021 10.396 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.175 11.454 -4.169 1.00 0.00 H new ATOM 62 N PRO A 6 -17.943 5.539 -3.562 1.00 0.00 N ATOM 63 CA PRO A 6 -17.115 4.351 -3.684 1.00 0.00 C ATOM 64 C PRO A 6 -15.748 4.703 -4.266 1.00 0.00 C ATOM 65 O PRO A 6 -15.540 5.783 -4.801 1.00 0.00 O ATOM 66 CB PRO A 6 -17.902 3.436 -4.614 1.00 0.00 C ATOM 67 CG PRO A 6 -18.639 4.412 -5.534 1.00 0.00 C ATOM 68 CD PRO A 6 -18.782 5.710 -4.728 1.00 0.00 C ATOM 0 HA PRO A 6 -16.913 3.877 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.244 2.773 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.596 2.803 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.080 4.581 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.614 4.019 -5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.466 6.573 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.820 5.882 -4.442 1.00 0.00 H new ATOM 76 N LEU A 7 -14.823 3.754 -4.168 1.00 0.00 N ATOM 77 CA LEU A 7 -13.439 3.834 -4.634 1.00 0.00 C ATOM 78 C LEU A 7 -13.298 4.152 -6.127 1.00 0.00 C ATOM 79 O LEU A 7 -13.677 3.315 -6.949 1.00 0.00 O ATOM 80 CB LEU A 7 -12.760 2.484 -4.362 1.00 0.00 C ATOM 81 CG LEU A 7 -11.232 2.532 -4.482 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.642 3.375 -3.350 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.683 1.107 -4.411 1.00 0.00 C ATOM 0 H LEU A 7 -15.030 2.854 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.972 4.657 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.027 2.147 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.148 1.744 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.955 2.986 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.556 3.403 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.037 4.389 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.911 2.935 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.597 1.131 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.963 0.656 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.097 0.516 -5.228 1.00 0.00 H new ATOM 95 N TYR A 8 -12.640 5.263 -6.465 1.00 0.00 N ATOM 96 CA TYR A 8 -12.286 5.636 -7.841 1.00 0.00 C ATOM 97 C TYR A 8 -10.771 5.660 -8.089 1.00 0.00 C ATOM 98 O TYR A 8 -10.348 5.919 -9.216 1.00 0.00 O ATOM 99 CB TYR A 8 -12.950 6.972 -8.229 1.00 0.00 C ATOM 100 CG TYR A 8 -13.078 8.010 -7.127 1.00 0.00 C ATOM 101 CD1 TYR A 8 -12.040 8.915 -6.842 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.289 8.106 -6.423 1.00 0.00 C ATOM 103 CE1 TYR A 8 -12.198 9.884 -5.830 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.473 9.077 -5.430 1.00 0.00 C ATOM 105 CZ TYR A 8 -13.419 9.965 -5.112 1.00 0.00 C ATOM 106 OH TYR A 8 -13.627 10.929 -4.171 1.00 0.00 O ATOM 0 H TYR A 8 -12.330 5.947 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.678 4.855 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.380 7.412 -9.047 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.947 6.758 -8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.117 8.868 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.092 7.420 -6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.390 10.564 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.416 9.147 -4.909 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.116 11.732 -4.406 1.00 0.00 H new ATOM 116 N TYR A 9 -9.933 5.393 -7.081 1.00 0.00 N ATOM 117 CA TYR A 9 -8.481 5.366 -7.245 1.00 0.00 C ATOM 118 C TYR A 9 -7.867 4.346 -6.296 1.00 0.00 C ATOM 119 O TYR A 9 -8.299 4.260 -5.144 1.00 0.00 O ATOM 120 CB TYR A 9 -7.920 6.740 -6.934 1.00 0.00 C ATOM 121 CG TYR A 9 -6.438 6.904 -7.185 1.00 0.00 C ATOM 122 CD1 TYR A 9 -5.950 6.998 -8.499 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.547 6.988 -6.099 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.582 7.219 -8.731 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.197 7.306 -6.320 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.707 7.422 -7.640 1.00 0.00 C ATOM 127 OH TYR A 9 -2.376 7.628 -7.846 1.00 0.00 O ATOM 0 H TYR A 9 -10.245 5.190 -6.131 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.241 5.088 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.457 7.477 -7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.122 6.969 -5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.629 6.900 -9.333 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.902 6.808 -5.095 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.200 7.234 -9.741 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.534 7.462 -5.482 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.111 7.227 -8.700 1.00 0.00 H new ATOM 137 N LEU A 10 -6.838 3.624 -6.749 1.00 0.00 N ATOM 138 CA LEU A 10 -6.115 2.641 -5.952 1.00 0.00 C ATOM 139 C LEU A 10 -4.655 2.646 -6.397 1.00 0.00 C ATOM 140 O LEU A 10 -4.321 2.172 -7.484 1.00 0.00 O ATOM 141 CB LEU A 10 -6.771 1.261 -6.157 1.00 0.00 C ATOM 142 CG LEU A 10 -6.246 0.034 -5.405 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.345 0.219 -4.194 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.361 -0.856 -4.893 1.00 0.00 C ATOM 0 H LEU A 10 -6.481 3.712 -7.700 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.153 2.879 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.827 1.365 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.717 1.034 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.639 -0.385 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.072 -0.756 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.443 0.755 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.873 0.791 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.933 -1.710 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.994 -0.290 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.959 -1.209 -5.733 1.00 0.00 H new ATOM 156 N GLN A 11 -3.765 3.193 -5.579 1.00 0.00 N ATOM 157 CA GLN A 11 -2.330 3.235 -5.843 1.00 0.00 C ATOM 158 C GLN A 11 -1.580 2.940 -4.553 1.00 0.00 C ATOM 159 O GLN A 11 -2.109 3.155 -3.463 1.00 0.00 O ATOM 160 CB GLN A 11 -1.953 4.614 -6.402 1.00 0.00 C ATOM 161 CG GLN A 11 -1.102 4.606 -7.679 1.00 0.00 C ATOM 162 CD GLN A 11 -1.903 4.771 -8.974 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.671 5.711 -9.732 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.859 3.903 -9.264 1.00 0.00 N ATOM 0 H GLN A 11 -4.025 3.629 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.058 2.483 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.870 5.167 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.412 5.163 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.367 5.408 -7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.548 3.669 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.049 3.124 -8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.406 4.013 -10.118 1.00 0.00 H new ATOM 173 N ILE A 12 -0.360 2.420 -4.681 1.00 0.00 N ATOM 174 CA ILE A 12 0.492 2.168 -3.530 1.00 0.00 C ATOM 175 C ILE A 12 0.974 3.469 -2.878 1.00 0.00 C ATOM 176 O ILE A 12 1.069 3.463 -1.662 1.00 0.00 O ATOM 177 CB ILE A 12 1.668 1.235 -3.875 1.00 0.00 C ATOM 178 CG1 ILE A 12 1.243 -0.099 -4.525 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.467 0.949 -2.592 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.273 -0.925 -3.674 1.00 0.00 C ATOM 0 H ILE A 12 0.058 2.166 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.122 1.649 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 12 2.274 1.753 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.778 0.110 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.134 -0.695 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.303 0.289 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.847 1.886 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.818 0.470 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.022 -1.847 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.741 -1.167 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.636 -0.350 -3.497 1.00 0.00 H new ATOM 192 N THR A 13 1.234 4.551 -3.621 1.00 0.00 N ATOM 193 CA THR A 13 1.505 5.905 -3.117 1.00 0.00 C ATOM 194 C THR A 13 2.760 6.058 -2.226 1.00 0.00 C ATOM 195 O THR A 13 3.637 6.843 -2.584 1.00 0.00 O ATOM 196 CB THR A 13 0.205 6.499 -2.538 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.872 6.301 -3.435 1.00 0.00 O ATOM 198 CG2 THR A 13 0.288 8.003 -2.294 1.00 0.00 C ATOM 0 H THR A 13 1.263 4.505 -4.640 1.00 0.00 H new ATOM 0 HA THR A 13 1.807 6.516 -3.968 1.00 0.00 H new ATOM 0 HB THR A 13 0.052 5.984 -1.589 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.243 7.169 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.658 8.358 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.090 8.213 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.492 8.514 -3.235 1.00 0.00 H new ATOM 206 N GLY A 14 2.896 5.370 -1.086 1.00 0.00 N ATOM 207 CA GLY A 14 4.141 5.303 -0.324 1.00 0.00 C ATOM 208 C GLY A 14 4.399 3.874 0.145 1.00 0.00 C ATOM 209 O GLY A 14 3.461 3.098 0.343 1.00 0.00 O ATOM 0 H GLY A 14 2.134 4.839 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.972 5.646 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.085 5.971 0.536 1.00 0.00 H new ATOM 213 N ILE A 15 5.663 3.526 0.376 1.00 0.00 N ATOM 214 CA ILE A 15 6.073 2.215 0.881 1.00 0.00 C ATOM 215 C ILE A 15 7.290 2.376 1.793 1.00 0.00 C ATOM 216 O ILE A 15 8.141 3.223 1.541 1.00 0.00 O ATOM 217 CB ILE A 15 6.353 1.283 -0.320 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.494 -0.188 0.112 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.595 1.729 -1.124 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.503 -1.147 -1.086 1.00 0.00 C ATOM 0 H ILE A 15 6.447 4.158 0.215 1.00 0.00 H new ATOM 0 HA ILE A 15 5.281 1.763 1.478 1.00 0.00 H new ATOM 0 HB ILE A 15 5.484 1.361 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.416 -0.311 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.672 -0.449 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.753 1.045 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.438 2.738 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.471 1.719 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.604 -2.172 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.570 -1.046 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.341 -0.905 -1.739 1.00 0.00 H new ATOM 232 N THR A 16 7.419 1.534 2.811 1.00 0.00 N ATOM 233 CA THR A 16 8.654 1.388 3.569 1.00 0.00 C ATOM 234 C THR A 16 8.658 0.003 4.223 1.00 0.00 C ATOM 235 O THR A 16 7.712 -0.778 4.082 1.00 0.00 O ATOM 236 CB THR A 16 8.840 2.589 4.536 1.00 0.00 C ATOM 237 OG1 THR A 16 10.073 2.521 5.238 1.00 0.00 O ATOM 238 CG2 THR A 16 7.729 2.752 5.576 1.00 0.00 C ATOM 0 H THR A 16 6.664 0.930 3.135 1.00 0.00 H new ATOM 0 HA THR A 16 9.534 1.425 2.927 1.00 0.00 H new ATOM 0 HB THR A 16 8.813 3.452 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.768 2.984 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.944 3.615 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.775 2.901 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.675 1.856 6.194 1.00 0.00 H new ATOM 246 N SER A 17 9.716 -0.301 4.970 1.00 0.00 N ATOM 247 CA SER A 17 9.703 -1.323 5.993 1.00 0.00 C ATOM 248 C SER A 17 10.196 -0.702 7.301 1.00 0.00 C ATOM 249 O SER A 17 10.600 0.470 7.327 1.00 0.00 O ATOM 250 CB SER A 17 10.538 -2.518 5.521 1.00 0.00 C ATOM 251 OG SER A 17 10.365 -3.618 6.392 1.00 0.00 O ATOM 0 H SER A 17 10.617 0.168 4.874 1.00 0.00 H new ATOM 0 HA SER A 17 8.699 -1.705 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.244 -2.798 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.591 -2.240 5.481 1.00 0.00 H new ATOM 0 HG SER A 17 9.409 -3.814 6.485 1.00 0.00 H new ATOM 257 N ASP A 18 10.143 -1.495 8.370 1.00 0.00 N ATOM 258 CA ASP A 18 10.743 -1.211 9.668 1.00 0.00 C ATOM 259 C ASP A 18 12.250 -1.025 9.498 1.00 0.00 C ATOM 260 O ASP A 18 12.789 0.003 9.906 1.00 0.00 O ATOM 261 CB ASP A 18 10.408 -2.337 10.651 1.00 0.00 C ATOM 262 CG ASP A 18 11.180 -2.249 11.973 1.00 0.00 C ATOM 263 OD1 ASP A 18 10.990 -1.265 12.722 1.00 0.00 O ATOM 264 OD2 ASP A 18 11.912 -3.221 12.280 1.00 0.00 O ATOM 0 H ASP A 18 9.659 -2.392 8.352 1.00 0.00 H new ATOM 0 HA ASP A 18 10.336 -0.287 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.339 -2.317 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.622 -3.296 10.178 1.00 0.00 H new ATOM 269 N GLY A 19 12.919 -1.946 8.792 1.00 0.00 N ATOM 270 CA GLY A 19 14.352 -1.904 8.549 1.00 0.00 C ATOM 271 C GLY A 19 14.804 -0.853 7.531 1.00 0.00 C ATOM 272 O GLY A 19 15.931 -0.979 7.057 1.00 0.00 O ATOM 0 H GLY A 19 12.463 -2.754 8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.860 -1.715 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.676 -2.886 8.204 1.00 0.00 H new ATOM 276 N ASN A 20 13.984 0.142 7.153 1.00 0.00 N ATOM 277 CA ASN A 20 14.368 1.185 6.185 1.00 0.00 C ATOM 278 C ASN A 20 14.322 2.611 6.739 1.00 0.00 C ATOM 279 O ASN A 20 14.264 3.572 5.968 1.00 0.00 O ATOM 280 CB ASN A 20 13.549 1.082 4.877 1.00 0.00 C ATOM 281 CG ASN A 20 14.447 1.066 3.638 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.672 1.098 3.708 1.00 0.00 O ATOM 283 ND2 ASN A 20 13.869 0.955 2.461 1.00 0.00 N ATOM 0 H ASN A 20 13.034 0.246 7.510 1.00 0.00 H new ATOM 0 HA ASN A 20 15.416 0.984 5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.944 0.175 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.859 1.924 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.438 0.896 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.852 0.928 2.393 1.00 0.00 H new ATOM 290 N ASP A 21 14.307 2.765 8.063 1.00 0.00 N ATOM 291 CA ASP A 21 14.199 4.056 8.762 1.00 0.00 C ATOM 292 C ASP A 21 12.824 4.701 8.551 1.00 0.00 C ATOM 293 O ASP A 21 12.659 5.917 8.664 1.00 0.00 O ATOM 294 CB ASP A 21 15.339 5.011 8.369 1.00 0.00 C ATOM 295 CG ASP A 21 15.679 5.959 9.513 1.00 0.00 C ATOM 296 OD1 ASP A 21 16.197 5.472 10.542 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.413 7.178 9.402 1.00 0.00 O ATOM 0 H ASP A 21 14.371 1.973 8.703 1.00 0.00 H new ATOM 0 HA ASP A 21 14.300 3.854 9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.223 4.434 8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.049 5.586 7.490 1.00 0.00 H new ATOM 302 N PHE A 22 11.821 3.876 8.217 1.00 0.00 N ATOM 303 CA PHE A 22 10.448 4.288 7.938 1.00 0.00 C ATOM 304 C PHE A 22 10.397 5.316 6.789 1.00 0.00 C ATOM 305 O PHE A 22 9.479 6.137 6.727 1.00 0.00 O ATOM 306 CB PHE A 22 9.737 4.745 9.231 1.00 0.00 C ATOM 307 CG PHE A 22 9.430 3.652 10.248 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.449 2.835 10.783 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.102 3.470 10.688 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.138 1.813 11.691 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.795 2.472 11.627 1.00 0.00 C ATOM 312 CZ PHE A 22 8.807 1.621 12.098 1.00 0.00 C ATOM 0 H PHE A 22 11.954 2.868 8.132 1.00 0.00 H new ATOM 0 HA PHE A 22 9.883 3.428 7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.356 5.500 9.715 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.801 5.230 8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.476 2.998 10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.317 4.102 10.300 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.919 1.175 12.077 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.783 2.360 11.986 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.562 0.816 12.775 1.00 0.00 H new ATOM 322 N ALA A 23 11.390 5.290 5.893 1.00 0.00 N ATOM 323 CA ALA A 23 11.475 6.117 4.704 1.00 0.00 C ATOM 324 C ALA A 23 10.359 5.802 3.691 1.00 0.00 C ATOM 325 O ALA A 23 10.525 4.941 2.831 1.00 0.00 O ATOM 326 CB ALA A 23 12.877 5.982 4.111 1.00 0.00 C ATOM 0 H ALA A 23 12.187 4.661 5.990 1.00 0.00 H new ATOM 0 HA ALA A 23 11.313 7.160 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.954 6.599 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.615 6.310 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.063 4.940 3.851 1.00 0.00 H new ATOM 332 N TRP A 24 9.219 6.488 3.795 1.00 0.00 N ATOM 333 CA TRP A 24 7.972 6.245 3.071 1.00 0.00 C ATOM 334 C TRP A 24 8.007 6.356 1.551 1.00 0.00 C ATOM 335 O TRP A 24 7.008 5.966 0.947 1.00 0.00 O ATOM 336 CB TRP A 24 6.892 7.206 3.596 1.00 0.00 C ATOM 337 CG TRP A 24 6.143 6.669 4.755 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.117 7.171 6.007 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.335 5.470 4.770 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.313 6.374 6.795 1.00 0.00 N ATOM 341 CE2 TRP A 24 4.830 5.293 6.085 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.015 4.497 3.802 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.045 4.187 6.416 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.245 3.371 4.132 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.759 3.217 5.440 1.00 0.00 C ATOM 0 H TRP A 24 9.138 7.282 4.431 1.00 0.00 H new ATOM 0 HA TRP A 24 7.761 5.194 3.266 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.361 8.148 3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.191 7.429 2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.641 8.055 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.102 6.559 7.776 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.368 4.620 2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.659 4.077 7.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.027 2.625 3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.165 2.352 5.696 1.00 0.00 H new ATOM 356 N ASP A 25 9.066 6.920 0.969 1.00 0.00 N ATOM 357 CA ASP A 25 9.367 6.979 -0.467 1.00 0.00 C ATOM 358 C ASP A 25 8.131 7.343 -1.309 1.00 0.00 C ATOM 359 O ASP A 25 7.364 6.463 -1.694 1.00 0.00 O ATOM 360 CB ASP A 25 10.029 5.671 -0.940 1.00 0.00 C ATOM 361 CG ASP A 25 11.535 5.788 -1.162 1.00 0.00 C ATOM 362 OD1 ASP A 25 11.941 6.585 -2.033 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.309 4.985 -0.588 1.00 0.00 O ATOM 0 H ASP A 25 9.787 7.380 1.524 1.00 0.00 H new ATOM 0 HA ASP A 25 10.083 7.787 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.839 4.891 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.558 5.352 -1.870 1.00 0.00 H new ATOM 368 N ASN A 26 7.889 8.633 -1.580 1.00 0.00 N ATOM 369 CA ASN A 26 6.714 9.056 -2.353 1.00 0.00 C ATOM 370 C ASN A 26 6.793 8.543 -3.791 1.00 0.00 C ATOM 371 O ASN A 26 7.497 9.115 -4.632 1.00 0.00 O ATOM 372 CB ASN A 26 6.544 10.582 -2.365 1.00 0.00 C ATOM 373 CG ASN A 26 5.592 11.083 -1.284 1.00 0.00 C ATOM 374 OD1 ASN A 26 4.697 11.874 -1.567 1.00 0.00 O ATOM 375 ND2 ASN A 26 5.723 10.642 -0.041 1.00 0.00 N ATOM 0 H ASN A 26 8.490 9.399 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 26 5.845 8.622 -1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.518 11.052 -2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.173 10.893 -3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.079 10.960 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.468 9.985 0.191 1.00 0.00 H new ATOM 382 N LEU A 27 6.058 7.473 -4.071 1.00 0.00 N ATOM 383 CA LEU A 27 6.183 6.697 -5.291 1.00 0.00 C ATOM 384 C LEU A 27 5.630 7.482 -6.460 1.00 0.00 C ATOM 385 O LEU A 27 4.597 8.151 -6.347 1.00 0.00 O ATOM 386 CB LEU A 27 5.450 5.355 -5.149 1.00 0.00 C ATOM 387 CG LEU A 27 5.901 4.564 -3.908 1.00 0.00 C ATOM 388 CD1 LEU A 27 5.060 3.302 -3.778 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.398 4.233 -3.925 1.00 0.00 C ATOM 0 H LEU A 27 5.342 7.115 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 27 7.238 6.493 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.377 5.536 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.624 4.754 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 27 5.745 5.198 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.379 2.741 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.010 3.574 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.188 2.686 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.657 3.675 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.628 3.631 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.975 5.157 -3.957 1.00 0.00 H new ATOM 401 N THR A 28 6.320 7.377 -7.589 1.00 0.00 N ATOM 402 CA THR A 28 5.959 8.046 -8.826 1.00 0.00 C ATOM 403 C THR A 28 4.570 7.607 -9.294 1.00 0.00 C ATOM 404 O THR A 28 4.094 6.504 -8.999 1.00 0.00 O ATOM 405 CB THR A 28 7.042 7.830 -9.909 1.00 0.00 C ATOM 406 OG1 THR A 28 8.069 6.955 -9.492 1.00 0.00 O ATOM 407 CG2 THR A 28 7.746 9.146 -10.227 1.00 0.00 C ATOM 0 H THR A 28 7.165 6.811 -7.668 1.00 0.00 H new ATOM 0 HA THR A 28 5.909 9.119 -8.640 1.00 0.00 H new ATOM 0 HB THR A 28 6.511 7.414 -10.765 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.724 6.853 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.505 8.977 -10.991 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.017 9.869 -10.593 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.219 9.533 -9.324 1.00 0.00 H new ATOM 415 N SER A 29 3.931 8.494 -10.051 1.00 0.00 N ATOM 416 CA SER A 29 2.519 8.466 -10.402 1.00 0.00 C ATOM 417 C SER A 29 2.085 7.209 -11.162 1.00 0.00 C ATOM 418 O SER A 29 0.908 6.862 -11.123 1.00 0.00 O ATOM 419 CB SER A 29 2.245 9.700 -11.259 1.00 0.00 C ATOM 420 OG SER A 29 2.874 10.852 -10.722 1.00 0.00 O ATOM 0 H SER A 29 4.414 9.295 -10.457 1.00 0.00 H new ATOM 0 HA SER A 29 1.943 8.459 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.604 9.527 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.170 9.868 -11.325 1.00 0.00 H new ATOM 0 HG SER A 29 2.682 11.625 -11.293 1.00 0.00 H new ATOM 426 N SER A 30 3.028 6.542 -11.833 1.00 0.00 N ATOM 427 CA SER A 30 2.819 5.360 -12.658 1.00 0.00 C ATOM 428 C SER A 30 3.954 4.336 -12.474 1.00 0.00 C ATOM 429 O SER A 30 4.233 3.558 -13.387 1.00 0.00 O ATOM 430 CB SER A 30 2.602 5.814 -14.111 1.00 0.00 C ATOM 431 OG SER A 30 3.617 6.676 -14.617 1.00 0.00 O ATOM 0 H SER A 30 4.006 6.831 -11.811 1.00 0.00 H new ATOM 0 HA SER A 30 1.923 4.825 -12.344 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.540 4.932 -14.749 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.641 6.325 -14.179 1.00 0.00 H new ATOM 0 HG SER A 30 3.409 6.918 -15.543 1.00 0.00 H new ATOM 437 N GLN A 31 4.649 4.375 -11.325 1.00 0.00 N ATOM 438 CA GLN A 31 5.782 3.504 -11.010 1.00 0.00 C ATOM 439 C GLN A 31 5.403 2.027 -11.166 1.00 0.00 C ATOM 440 O GLN A 31 4.232 1.654 -11.052 1.00 0.00 O ATOM 441 CB GLN A 31 6.307 3.831 -9.593 1.00 0.00 C ATOM 442 CG GLN A 31 7.744 3.328 -9.387 1.00 0.00 C ATOM 443 CD GLN A 31 8.662 4.194 -8.522 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.696 4.668 -8.985 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.333 4.425 -7.264 1.00 0.00 N ATOM 0 H GLN A 31 4.429 5.030 -10.575 1.00 0.00 H new ATOM 0 HA GLN A 31 6.589 3.690 -11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.272 4.909 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.653 3.377 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.695 2.335 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.208 3.215 -10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.474 4.031 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.938 4.998 -6.676 1.00 0.00 H new ATOM 454 N THR A 32 6.414 1.184 -11.389 1.00 0.00 N ATOM 455 CA THR A 32 6.258 -0.258 -11.574 1.00 0.00 C ATOM 456 C THR A 32 7.248 -1.058 -10.718 1.00 0.00 C ATOM 457 O THR A 32 7.189 -2.290 -10.696 1.00 0.00 O ATOM 458 CB THR A 32 6.422 -0.592 -13.064 1.00 0.00 C ATOM 459 OG1 THR A 32 7.627 -0.047 -13.568 1.00 0.00 O ATOM 460 CG2 THR A 32 5.260 -0.049 -13.895 1.00 0.00 C ATOM 0 H THR A 32 7.384 1.493 -11.447 1.00 0.00 H new ATOM 0 HA THR A 32 5.260 -0.545 -11.242 1.00 0.00 H new ATOM 0 HB THR A 32 6.440 -1.679 -13.144 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.715 -0.271 -14.518 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.412 -0.305 -14.944 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.326 -0.489 -13.545 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.212 1.035 -13.789 1.00 0.00 H new ATOM 468 N LYS A 33 8.179 -0.388 -10.023 1.00 0.00 N ATOM 469 CA LYS A 33 9.196 -1.058 -9.216 1.00 0.00 C ATOM 470 C LYS A 33 9.555 -0.234 -7.990 1.00 0.00 C ATOM 471 O LYS A 33 9.207 0.943 -7.890 1.00 0.00 O ATOM 472 CB LYS A 33 10.426 -1.369 -10.088 1.00 0.00 C ATOM 473 CG LYS A 33 11.098 -2.684 -9.680 1.00 0.00 C ATOM 474 CD LYS A 33 12.425 -2.539 -8.927 1.00 0.00 C ATOM 475 CE LYS A 33 12.794 -3.924 -8.389 1.00 0.00 C ATOM 476 NZ LYS A 33 14.203 -4.027 -7.975 1.00 0.00 N ATOM 0 H LYS A 33 8.244 0.630 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 33 8.795 -2.002 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.125 -1.425 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.145 -0.553 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.405 -3.248 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.272 -3.277 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.205 -2.164 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.328 -1.823 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.154 -4.159 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.592 -4.671 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.504 -5.022 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.796 -3.463 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.307 -3.669 -7.004 1.00 0.00 H new ATOM 490 N ALA A 34 10.135 -0.879 -6.991 1.00 0.00 N ATOM 491 CA ALA A 34 10.431 -0.256 -5.725 1.00 0.00 C ATOM 492 C ALA A 34 11.552 0.772 -5.915 1.00 0.00 C ATOM 493 O ALA A 34 12.393 0.622 -6.808 1.00 0.00 O ATOM 494 CB ALA A 34 10.847 -1.325 -4.708 1.00 0.00 C ATOM 0 H ALA A 34 10.414 -1.859 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 34 9.544 0.254 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.070 -0.851 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.034 -2.039 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.733 -1.846 -5.070 1.00 0.00 H new ATOM 500 N PRO A 35 11.620 1.768 -5.027 1.00 0.00 N ATOM 501 CA PRO A 35 12.730 2.706 -4.983 1.00 0.00 C ATOM 502 C PRO A 35 14.046 2.032 -4.584 1.00 0.00 C ATOM 503 O PRO A 35 15.099 2.487 -5.015 1.00 0.00 O ATOM 504 CB PRO A 35 12.334 3.750 -3.934 1.00 0.00 C ATOM 505 CG PRO A 35 11.373 2.972 -3.041 1.00 0.00 C ATOM 506 CD PRO A 35 10.628 2.093 -4.019 1.00 0.00 C ATOM 0 HA PRO A 35 12.905 3.140 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.198 4.116 -3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.855 4.618 -4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.905 2.383 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.698 3.636 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.242 1.196 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.774 2.613 -4.453 1.00 0.00 H new ATOM 514 N ASN A 36 14.026 0.991 -3.738 1.00 0.00 N ATOM 515 CA ASN A 36 15.222 0.497 -3.069 1.00 0.00 C ATOM 516 C ASN A 36 15.010 -0.937 -2.607 1.00 0.00 C ATOM 517 O ASN A 36 13.886 -1.444 -2.683 1.00 0.00 O ATOM 518 CB ASN A 36 15.530 1.402 -1.862 1.00 0.00 C ATOM 519 CG ASN A 36 16.913 1.985 -2.032 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.883 1.239 -2.006 1.00 0.00 O ATOM 521 ND2 ASN A 36 17.027 3.287 -2.198 1.00 0.00 N ATOM 0 H ASN A 36 13.178 0.474 -3.504 1.00 0.00 H new ATOM 0 HA ASN A 36 16.062 0.514 -3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.790 2.199 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.473 0.829 -0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.949 3.708 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.193 3.874 -2.214 1.00 0.00 H new ATOM 528 N VAL A 37 16.064 -1.577 -2.096 1.00 0.00 N ATOM 529 CA VAL A 37 15.909 -2.798 -1.321 1.00 0.00 C ATOM 530 C VAL A 37 15.211 -2.431 -0.009 1.00 0.00 C ATOM 531 O VAL A 37 15.776 -1.746 0.845 1.00 0.00 O ATOM 532 CB VAL A 37 17.250 -3.528 -1.083 1.00 0.00 C ATOM 533 CG1 VAL A 37 16.976 -4.916 -0.491 1.00 0.00 C ATOM 534 CG2 VAL A 37 18.086 -3.744 -2.352 1.00 0.00 C ATOM 0 H VAL A 37 17.029 -1.267 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 37 15.302 -3.509 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 37 17.816 -2.881 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.921 -5.433 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.447 -4.810 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.366 -5.494 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 37 19.010 -4.262 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.519 -4.344 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.324 -2.779 -2.800 1.00 0.00 H new ATOM 544 N LEU A 38 13.960 -2.862 0.132 1.00 0.00 N ATOM 545 CA LEU A 38 13.208 -2.803 1.375 1.00 0.00 C ATOM 546 C LEU A 38 13.736 -3.916 2.276 1.00 0.00 C ATOM 547 O LEU A 38 13.377 -5.079 2.101 1.00 0.00 O ATOM 548 CB LEU A 38 11.698 -2.938 1.104 1.00 0.00 C ATOM 549 CG LEU A 38 11.158 -1.898 0.101 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.648 -2.037 -0.072 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.468 -0.465 0.539 1.00 0.00 C ATOM 0 H LEU A 38 13.431 -3.272 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 38 13.340 -1.841 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.493 -3.939 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.158 -2.838 2.045 1.00 0.00 H new ATOM 0 HG LEU A 38 11.660 -2.095 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.293 -1.292 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.415 -3.035 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.156 -1.884 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.070 0.234 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.008 -0.273 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.547 -0.334 0.617 1.00 0.00 H new ATOM 563 N LYS A 39 14.645 -3.577 3.192 1.00 0.00 N ATOM 564 CA LYS A 39 15.154 -4.519 4.190 1.00 0.00 C ATOM 565 C LYS A 39 14.034 -4.918 5.139 1.00 0.00 C ATOM 566 O LYS A 39 13.012 -4.239 5.185 1.00 0.00 O ATOM 567 CB LYS A 39 16.288 -3.905 5.026 1.00 0.00 C ATOM 568 CG LYS A 39 17.383 -3.246 4.177 1.00 0.00 C ATOM 569 CD LYS A 39 17.190 -1.723 4.167 1.00 0.00 C ATOM 570 CE LYS A 39 17.901 -1.051 2.992 1.00 0.00 C ATOM 571 NZ LYS A 39 18.892 -0.067 3.460 1.00 0.00 N ATOM 0 H LYS A 39 15.049 -2.643 3.263 1.00 0.00 H new ATOM 0 HA LYS A 39 15.538 -5.385 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.868 -3.162 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.736 -4.683 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.366 -3.494 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.348 -3.633 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.125 -1.495 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.566 -1.306 5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.396 -1.807 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.168 -0.557 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.358 0.373 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.414 0.667 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.604 -0.545 4.049 1.00 0.00 H new ATOM 585 N GLY A 40 14.277 -5.916 5.985 1.00 0.00 N ATOM 586 CA GLY A 40 13.305 -6.299 6.993 1.00 0.00 C ATOM 587 C GLY A 40 12.352 -7.353 6.440 1.00 0.00 C ATOM 588 O GLY A 40 12.691 -8.139 5.547 1.00 0.00 O ATOM 0 H GLY A 40 15.135 -6.468 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.818 -6.689 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.741 -5.423 7.315 1.00 0.00 H new ATOM 592 N ASN A 41 11.159 -7.379 7.029 1.00 0.00 N ATOM 593 CA ASN A 41 10.049 -8.275 6.720 1.00 0.00 C ATOM 594 C ASN A 41 8.706 -7.542 6.782 1.00 0.00 C ATOM 595 O ASN A 41 7.798 -7.878 6.019 1.00 0.00 O ATOM 596 CB ASN A 41 10.050 -9.418 7.743 1.00 0.00 C ATOM 597 CG ASN A 41 8.806 -10.295 7.673 1.00 0.00 C ATOM 598 OD1 ASN A 41 8.083 -10.404 8.662 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.546 -10.945 6.551 1.00 0.00 N ATOM 0 H ASN A 41 10.928 -6.733 7.783 1.00 0.00 H new ATOM 0 HA ASN A 41 10.177 -8.658 5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.932 -10.038 7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.133 -8.998 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.730 -11.554 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.162 -10.837 5.745 1.00 0.00 H new ATOM 606 N LYS A 42 8.551 -6.558 7.681 1.00 0.00 N ATOM 607 CA LYS A 42 7.291 -5.842 7.867 1.00 0.00 C ATOM 608 C LYS A 42 7.120 -4.838 6.738 1.00 0.00 C ATOM 609 O LYS A 42 7.804 -3.817 6.710 1.00 0.00 O ATOM 610 CB LYS A 42 7.231 -5.147 9.237 1.00 0.00 C ATOM 611 CG LYS A 42 7.355 -6.112 10.426 1.00 0.00 C ATOM 612 CD LYS A 42 6.301 -7.230 10.415 1.00 0.00 C ATOM 613 CE LYS A 42 6.335 -7.985 11.747 1.00 0.00 C ATOM 614 NZ LYS A 42 4.980 -8.178 12.303 1.00 0.00 N ATOM 0 H LYS A 42 9.299 -6.240 8.297 1.00 0.00 H new ATOM 0 HA LYS A 42 6.471 -6.560 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.031 -4.409 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.289 -4.604 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.349 -6.559 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.266 -5.547 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.310 -6.807 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.494 -7.917 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.810 -8.955 11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.946 -7.434 12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.052 -8.538 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.473 -7.270 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.459 -8.863 11.719 1.00 0.00 H new ATOM 628 N LEU A 43 6.258 -5.135 5.780 1.00 0.00 N ATOM 629 CA LEU A 43 6.087 -4.383 4.553 1.00 0.00 C ATOM 630 C LEU A 43 4.944 -3.391 4.785 1.00 0.00 C ATOM 631 O LEU A 43 3.772 -3.781 4.855 1.00 0.00 O ATOM 632 CB LEU A 43 5.814 -5.364 3.394 1.00 0.00 C ATOM 633 CG LEU A 43 6.346 -4.886 2.041 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.921 -5.877 0.949 1.00 0.00 C ATOM 635 CD2 LEU A 43 5.807 -3.507 1.691 1.00 0.00 C ATOM 0 H LEU A 43 5.634 -5.940 5.841 1.00 0.00 H new ATOM 0 HA LEU A 43 6.980 -3.821 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.266 -6.327 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.739 -5.527 3.314 1.00 0.00 H new ATOM 0 HG LEU A 43 7.433 -4.829 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.299 -5.539 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.329 -6.863 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.833 -5.934 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.203 -3.196 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.719 -3.543 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.112 -2.792 2.455 1.00 0.00 H new ATOM 647 N TYR A 44 5.286 -2.117 4.970 1.00 0.00 N ATOM 648 CA TYR A 44 4.344 -1.051 5.272 1.00 0.00 C ATOM 649 C TYR A 44 3.981 -0.356 3.950 1.00 0.00 C ATOM 650 O TYR A 44 4.867 0.125 3.244 1.00 0.00 O ATOM 651 CB TYR A 44 4.975 -0.094 6.302 1.00 0.00 C ATOM 652 CG TYR A 44 5.434 -0.722 7.617 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.621 -1.640 8.310 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.658 -0.338 8.197 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.017 -2.157 9.553 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.053 -0.832 9.452 1.00 0.00 C ATOM 657 CZ TYR A 44 6.232 -1.751 10.138 1.00 0.00 C ATOM 658 OH TYR A 44 6.576 -2.228 11.363 1.00 0.00 O ATOM 0 H TYR A 44 6.252 -1.794 4.912 1.00 0.00 H new ATOM 0 HA TYR A 44 3.425 -1.432 5.719 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.833 0.392 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.251 0.688 6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.680 -1.950 7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.304 0.348 7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.387 -2.870 10.064 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.985 -0.508 9.891 1.00 0.00 H new ATOM 0 HH TYR A 44 6.195 -3.123 11.485 1.00 0.00 H new ATOM 668 N VAL A 45 2.690 -0.311 3.596 1.00 0.00 N ATOM 669 CA VAL A 45 2.170 0.161 2.302 1.00 0.00 C ATOM 670 C VAL A 45 1.102 1.248 2.528 1.00 0.00 C ATOM 671 O VAL A 45 0.037 0.953 3.073 1.00 0.00 O ATOM 672 CB VAL A 45 1.590 -1.048 1.534 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.326 -0.754 0.072 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.491 -2.283 1.556 1.00 0.00 C ATOM 0 H VAL A 45 1.948 -0.614 4.227 1.00 0.00 H new ATOM 0 HA VAL A 45 2.970 0.606 1.711 1.00 0.00 H new ATOM 0 HB VAL A 45 0.661 -1.246 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.920 -1.643 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.610 0.063 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.258 -0.470 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.017 -3.089 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.451 -2.041 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.648 -2.600 2.587 1.00 0.00 H new ATOM 684 N LYS A 46 1.373 2.517 2.213 1.00 0.00 N ATOM 685 CA LYS A 46 0.485 3.660 2.482 1.00 0.00 C ATOM 686 C LYS A 46 -0.307 3.936 1.203 1.00 0.00 C ATOM 687 O LYS A 46 0.066 4.825 0.446 1.00 0.00 O ATOM 688 CB LYS A 46 1.347 4.849 2.969 1.00 0.00 C ATOM 689 CG LYS A 46 0.598 6.133 3.384 1.00 0.00 C ATOM 690 CD LYS A 46 0.639 7.310 2.392 1.00 0.00 C ATOM 691 CE LYS A 46 2.056 7.859 2.171 1.00 0.00 C ATOM 692 NZ LYS A 46 2.199 8.596 0.887 1.00 0.00 N ATOM 0 H LYS A 46 2.240 2.790 1.750 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.238 3.466 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.939 4.512 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.048 5.107 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.446 5.875 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.009 6.474 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.227 6.987 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.002 8.111 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.315 8.523 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.767 7.033 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.991 9.267 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.385 7.921 0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.321 9.116 0.686 1.00 0.00 H new ATOM 706 N ALA A 47 -1.320 3.101 0.935 1.00 0.00 N ATOM 707 CA ALA A 47 -1.958 2.967 -0.374 1.00 0.00 C ATOM 708 C ALA A 47 -3.172 3.889 -0.537 1.00 0.00 C ATOM 709 O ALA A 47 -4.259 3.509 -0.116 1.00 0.00 O ATOM 710 CB ALA A 47 -2.311 1.489 -0.601 1.00 0.00 C ATOM 0 H ALA A 47 -1.725 2.487 1.642 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.256 3.290 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.788 1.374 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.402 0.889 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.994 1.154 0.180 1.00 0.00 H new ATOM 716 N ARG A 48 -3.088 5.052 -1.189 1.00 0.00 N ATOM 717 CA ARG A 48 -4.147 6.077 -1.128 1.00 0.00 C ATOM 718 C ARG A 48 -5.468 5.615 -1.752 1.00 0.00 C ATOM 719 O ARG A 48 -5.606 5.615 -2.972 1.00 0.00 O ATOM 720 CB ARG A 48 -3.637 7.363 -1.796 1.00 0.00 C ATOM 721 CG ARG A 48 -4.715 8.444 -2.032 1.00 0.00 C ATOM 722 CD ARG A 48 -4.270 9.812 -1.518 1.00 0.00 C ATOM 723 NE ARG A 48 -3.115 10.351 -2.248 1.00 0.00 N ATOM 724 CZ ARG A 48 -2.944 11.612 -2.668 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.867 12.552 -2.475 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.821 11.926 -3.292 1.00 0.00 N ATOM 0 H ARG A 48 -2.292 5.313 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.370 6.266 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.846 7.788 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.187 7.104 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.936 8.510 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.639 8.151 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.102 10.512 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.020 9.733 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.362 9.695 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.737 12.322 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.704 13.502 -2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.106 11.214 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.670 12.880 -3.620 1.00 0.00 H new ATOM 740 N PHE A 49 -6.466 5.314 -0.917 1.00 0.00 N ATOM 741 CA PHE A 49 -7.808 4.965 -1.377 1.00 0.00 C ATOM 742 C PHE A 49 -8.617 6.251 -1.512 1.00 0.00 C ATOM 743 O PHE A 49 -8.936 6.866 -0.491 1.00 0.00 O ATOM 744 CB PHE A 49 -8.499 3.982 -0.414 1.00 0.00 C ATOM 745 CG PHE A 49 -7.754 2.667 -0.259 1.00 0.00 C ATOM 746 CD1 PHE A 49 -7.866 1.624 -1.203 1.00 0.00 C ATOM 747 CD2 PHE A 49 -6.823 2.541 0.782 1.00 0.00 C ATOM 748 CE1 PHE A 49 -7.075 0.470 -1.076 1.00 0.00 C ATOM 749 CE2 PHE A 49 -5.940 1.452 0.819 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.085 0.392 -0.086 1.00 0.00 C ATOM 0 H PHE A 49 -6.364 5.306 0.098 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.739 4.462 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.599 4.452 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.508 3.780 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.561 1.713 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.786 3.288 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.230 -0.363 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.144 1.430 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.443 -0.474 -0.022 1.00 0.00 H new ATOM 760 N MET A 50 -8.915 6.680 -2.743 1.00 0.00 N ATOM 761 CA MET A 50 -9.832 7.794 -2.985 1.00 0.00 C ATOM 762 C MET A 50 -11.234 7.222 -3.136 1.00 0.00 C ATOM 763 O MET A 50 -11.563 6.634 -4.165 1.00 0.00 O ATOM 764 CB MET A 50 -9.469 8.656 -4.209 1.00 0.00 C ATOM 765 CG MET A 50 -7.984 8.975 -4.381 1.00 0.00 C ATOM 766 SD MET A 50 -7.323 10.472 -3.598 1.00 0.00 S ATOM 767 CE MET A 50 -7.928 10.266 -1.913 1.00 0.00 C ATOM 0 H MET A 50 -8.530 6.267 -3.592 1.00 0.00 H new ATOM 0 HA MET A 50 -9.763 8.470 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.818 8.145 -5.106 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.018 9.595 -4.144 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.416 8.125 -4.002 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.781 9.043 -5.450 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.360 10.910 -1.241 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.983 10.537 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.808 9.227 -1.608 1.00 0.00 H new ATOM 777 N GLY A 51 -12.018 7.330 -2.074 1.00 0.00 N ATOM 778 CA GLY A 51 -13.367 6.784 -1.965 1.00 0.00 C ATOM 779 C GLY A 51 -13.467 5.770 -0.827 1.00 0.00 C ATOM 780 O GLY A 51 -12.457 5.299 -0.285 1.00 0.00 O ATOM 0 H GLY A 51 -11.722 7.820 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.077 7.594 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.645 6.307 -2.905 1.00 0.00 H new ATOM 784 N TYR A 52 -14.695 5.444 -0.426 1.00 0.00 N ATOM 785 CA TYR A 52 -14.982 4.532 0.665 1.00 0.00 C ATOM 786 C TYR A 52 -14.768 3.115 0.156 1.00 0.00 C ATOM 787 O TYR A 52 -15.360 2.724 -0.853 1.00 0.00 O ATOM 788 CB TYR A 52 -16.410 4.764 1.183 1.00 0.00 C ATOM 789 CG TYR A 52 -16.540 4.650 2.686 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.405 3.403 3.325 1.00 0.00 C ATOM 791 CD2 TYR A 52 -16.794 5.804 3.451 1.00 0.00 C ATOM 792 CE1 TYR A 52 -16.483 3.318 4.727 1.00 0.00 C ATOM 793 CE2 TYR A 52 -16.910 5.719 4.848 1.00 0.00 C ATOM 794 CZ TYR A 52 -16.740 4.477 5.495 1.00 0.00 C ATOM 795 OH TYR A 52 -16.800 4.405 6.850 1.00 0.00 O ATOM 0 H TYR A 52 -15.535 5.820 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.316 4.704 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -16.743 5.755 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.078 4.042 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.241 2.511 2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -16.900 6.760 2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -16.346 2.366 5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.129 6.604 5.427 1.00 0.00 H new ATOM 0 HH TYR A 52 -16.984 5.295 7.217 1.00 0.00 H new ATOM 805 N THR A 53 -13.905 2.351 0.824 1.00 0.00 N ATOM 806 CA THR A 53 -13.654 0.960 0.491 1.00 0.00 C ATOM 807 C THR A 53 -13.235 0.262 1.788 1.00 0.00 C ATOM 808 O THR A 53 -12.271 0.679 2.440 1.00 0.00 O ATOM 809 CB THR A 53 -12.664 0.918 -0.697 1.00 0.00 C ATOM 810 OG1 THR A 53 -12.632 -0.306 -1.381 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.206 1.256 -0.412 1.00 0.00 C ATOM 0 H THR A 53 -13.359 2.688 1.617 1.00 0.00 H new ATOM 0 HA THR A 53 -14.520 0.405 0.131 1.00 0.00 H new ATOM 0 HB THR A 53 -13.100 1.718 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.410 -0.370 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.629 1.186 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.138 2.270 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.806 0.554 0.320 1.00 0.00 H new ATOM 819 N LYS A 54 -14.007 -0.752 2.198 1.00 0.00 N ATOM 820 CA LYS A 54 -13.822 -1.508 3.443 1.00 0.00 C ATOM 821 C LYS A 54 -13.817 -3.022 3.188 1.00 0.00 C ATOM 822 O LYS A 54 -14.218 -3.817 4.042 1.00 0.00 O ATOM 823 CB LYS A 54 -14.840 -1.056 4.509 1.00 0.00 C ATOM 824 CG LYS A 54 -16.327 -1.328 4.194 1.00 0.00 C ATOM 825 CD LYS A 54 -17.260 -0.626 5.202 1.00 0.00 C ATOM 826 CE LYS A 54 -18.609 -1.351 5.338 1.00 0.00 C ATOM 827 NZ LYS A 54 -19.602 -0.561 6.102 1.00 0.00 N ATOM 0 H LYS A 54 -14.805 -1.080 1.654 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.836 -1.284 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.593 -1.550 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.715 0.015 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.555 -0.983 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.513 -2.402 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.773 -0.580 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.431 0.402 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.005 -1.564 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.454 -2.310 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.494 -1.092 6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.238 -0.379 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.772 0.344 5.618 1.00 0.00 H new ATOM 841 N LEU A 55 -13.400 -3.428 1.990 1.00 0.00 N ATOM 842 CA LEU A 55 -13.205 -4.812 1.592 1.00 0.00 C ATOM 843 C LEU A 55 -11.911 -4.872 0.772 1.00 0.00 C ATOM 844 O LEU A 55 -11.919 -4.826 -0.461 1.00 0.00 O ATOM 845 CB LEU A 55 -14.462 -5.316 0.861 1.00 0.00 C ATOM 846 CG LEU A 55 -14.522 -6.848 0.716 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.984 -7.298 0.742 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.882 -7.359 -0.578 1.00 0.00 C ATOM 0 H LEU A 55 -13.181 -2.770 1.242 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.082 -5.486 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.346 -4.976 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.501 -4.864 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.956 -7.265 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.033 -8.382 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.439 -7.002 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.523 -6.831 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.958 -8.446 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.400 -6.928 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.832 -7.068 -0.604 1.00 0.00 H new ATOM 860 N THR A 56 -10.781 -4.872 1.479 1.00 0.00 N ATOM 861 CA THR A 56 -9.444 -4.825 0.902 1.00 0.00 C ATOM 862 C THR A 56 -8.876 -6.246 0.851 1.00 0.00 C ATOM 863 O THR A 56 -8.978 -7.002 1.826 1.00 0.00 O ATOM 864 CB THR A 56 -8.560 -3.891 1.751 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.218 -2.661 2.015 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.260 -3.553 1.021 1.00 0.00 C ATOM 0 H THR A 56 -10.774 -4.906 2.498 1.00 0.00 H new ATOM 0 HA THR A 56 -9.474 -4.431 -0.114 1.00 0.00 H new ATOM 0 HB THR A 56 -8.354 -4.422 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.636 -2.088 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.655 -2.893 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.706 -4.470 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.490 -3.055 0.079 1.00 0.00 H new ATOM 874 N VAL A 57 -8.269 -6.620 -0.275 1.00 0.00 N ATOM 875 CA VAL A 57 -7.847 -7.978 -0.564 1.00 0.00 C ATOM 876 C VAL A 57 -6.416 -7.955 -1.112 1.00 0.00 C ATOM 877 O VAL A 57 -5.984 -7.003 -1.769 1.00 0.00 O ATOM 878 CB VAL A 57 -8.868 -8.661 -1.508 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.750 -10.188 -1.450 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.328 -8.343 -1.138 1.00 0.00 C ATOM 0 H VAL A 57 -8.055 -5.965 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.828 -8.581 0.344 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.631 -8.272 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.481 -10.635 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.746 -10.487 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.939 -10.529 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.998 -8.848 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.530 -8.688 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.491 -7.267 -1.194 1.00 0.00 H new ATOM 890 N ILE A 58 -5.656 -9.000 -0.796 1.00 0.00 N ATOM 891 CA ILE A 58 -4.287 -9.221 -1.226 1.00 0.00 C ATOM 892 C ILE A 58 -4.207 -10.747 -1.371 1.00 0.00 C ATOM 893 O ILE A 58 -4.184 -11.439 -0.361 1.00 0.00 O ATOM 894 CB ILE A 58 -3.283 -8.659 -0.182 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.614 -7.239 0.347 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.876 -8.686 -0.800 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.755 -6.800 1.541 1.00 0.00 C ATOM 0 H ILE A 58 -6.001 -9.753 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.027 -8.711 -2.154 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.350 -9.301 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.485 -6.522 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.664 -7.206 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.156 -8.295 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.611 -9.712 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.862 -8.071 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.048 -5.797 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.902 -7.493 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.704 -6.798 1.252 1.00 0.00 H new ATOM 909 N THR A 59 -4.292 -11.286 -2.588 1.00 0.00 N ATOM 910 CA THR A 59 -4.515 -12.707 -2.849 1.00 0.00 C ATOM 911 C THR A 59 -3.295 -13.593 -2.513 1.00 0.00 C ATOM 912 O THR A 59 -3.412 -14.815 -2.522 1.00 0.00 O ATOM 913 CB THR A 59 -4.939 -12.887 -4.326 1.00 0.00 C ATOM 914 OG1 THR A 59 -5.588 -11.737 -4.857 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.936 -14.026 -4.493 1.00 0.00 C ATOM 0 H THR A 59 -4.205 -10.732 -3.440 1.00 0.00 H new ATOM 0 HA THR A 59 -5.311 -13.043 -2.184 1.00 0.00 H new ATOM 0 HB THR A 59 -4.005 -13.084 -4.853 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.833 -11.902 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.209 -14.120 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.485 -14.957 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.829 -13.817 -3.904 1.00 0.00 H new ATOM 923 N GLY A 60 -2.133 -12.987 -2.229 1.00 0.00 N ATOM 924 CA GLY A 60 -0.904 -13.647 -1.790 1.00 0.00 C ATOM 925 C GLY A 60 -0.494 -14.819 -2.666 1.00 0.00 C ATOM 926 O GLY A 60 -0.907 -14.957 -3.823 1.00 0.00 O ATOM 0 H GLY A 60 -2.024 -11.976 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.095 -12.916 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.036 -13.998 -0.767 1.00 0.00 H new ATOM 930 N LYS A 61 0.399 -15.634 -2.107 1.00 0.00 N ATOM 931 CA LYS A 61 0.932 -16.818 -2.766 1.00 0.00 C ATOM 932 C LYS A 61 0.018 -18.032 -2.651 1.00 0.00 C ATOM 933 O LYS A 61 0.060 -18.909 -3.509 1.00 0.00 O ATOM 934 CB LYS A 61 2.323 -17.098 -2.198 1.00 0.00 C ATOM 935 CG LYS A 61 2.380 -17.521 -0.722 1.00 0.00 C ATOM 936 CD LYS A 61 3.807 -17.814 -0.225 1.00 0.00 C ATOM 937 CE LYS A 61 4.849 -16.755 -0.621 1.00 0.00 C ATOM 938 NZ LYS A 61 6.181 -16.991 -0.028 1.00 0.00 N ATOM 0 H LYS A 61 0.776 -15.486 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 61 0.998 -16.620 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.786 -17.882 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.930 -16.201 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.944 -16.732 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.765 -18.410 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.789 -17.900 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.123 -18.781 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.941 -16.735 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.492 -15.772 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.918 -16.745 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.292 -16.401 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.272 -17.994 0.233 1.00 0.00 H new ATOM 952 N ASP A 62 -0.814 -18.064 -1.618 1.00 0.00 N ATOM 953 CA ASP A 62 -1.736 -19.150 -1.321 1.00 0.00 C ATOM 954 C ASP A 62 -3.049 -19.021 -2.086 1.00 0.00 C ATOM 955 O ASP A 62 -3.838 -19.969 -2.131 1.00 0.00 O ATOM 956 CB ASP A 62 -2.005 -19.164 0.186 1.00 0.00 C ATOM 957 CG ASP A 62 -2.848 -18.002 0.701 1.00 0.00 C ATOM 958 OD1 ASP A 62 -2.880 -16.927 0.067 1.00 0.00 O ATOM 959 OD2 ASP A 62 -3.416 -18.146 1.807 1.00 0.00 O ATOM 0 H ASP A 62 -0.866 -17.305 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.277 -20.086 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.506 -20.098 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.049 -19.161 0.710 1.00 0.00 H new ATOM 964 N GLY A 63 -3.294 -17.870 -2.713 1.00 0.00 N ATOM 965 CA GLY A 63 -4.535 -17.590 -3.412 1.00 0.00 C ATOM 966 C GLY A 63 -5.711 -17.282 -2.483 1.00 0.00 C ATOM 967 O GLY A 63 -6.859 -17.414 -2.918 1.00 0.00 O ATOM 0 H GLY A 63 -2.624 -17.101 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.381 -16.743 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.791 -18.447 -4.035 1.00 0.00 H new ATOM 971 N LYS A 64 -5.485 -16.894 -1.224 1.00 0.00 N ATOM 972 CA LYS A 64 -6.529 -16.413 -0.323 1.00 0.00 C ATOM 973 C LYS A 64 -6.152 -15.016 0.163 1.00 0.00 C ATOM 974 O LYS A 64 -5.045 -14.540 -0.092 1.00 0.00 O ATOM 975 CB LYS A 64 -6.756 -17.400 0.838 1.00 0.00 C ATOM 976 CG LYS A 64 -7.159 -18.808 0.368 1.00 0.00 C ATOM 977 CD LYS A 64 -7.825 -19.616 1.494 1.00 0.00 C ATOM 978 CE LYS A 64 -6.838 -20.190 2.515 1.00 0.00 C ATOM 979 NZ LYS A 64 -7.545 -20.675 3.727 1.00 0.00 N ATOM 0 H LYS A 64 -4.558 -16.907 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.479 -16.349 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.844 -17.469 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.533 -17.007 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.844 -18.727 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.276 -19.339 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.539 -18.976 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.393 -20.435 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.279 -21.010 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.113 -19.425 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.853 -21.059 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.059 -19.886 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.219 -21.421 3.461 1.00 0.00 H new ATOM 993 N ASN A 65 -7.071 -14.319 0.832 1.00 0.00 N ATOM 994 CA ASN A 65 -6.784 -12.961 1.274 1.00 0.00 C ATOM 995 C ASN A 65 -5.796 -12.994 2.430 1.00 0.00 C ATOM 996 O ASN A 65 -6.187 -13.337 3.550 1.00 0.00 O ATOM 997 CB ASN A 65 -8.049 -12.191 1.687 1.00 0.00 C ATOM 998 CG ASN A 65 -7.727 -10.717 1.936 1.00 0.00 C ATOM 999 OD1 ASN A 65 -6.604 -10.255 1.747 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -8.696 -9.914 2.320 1.00 0.00 N ATOM 0 H ASN A 65 -7.999 -14.665 1.074 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.351 -12.431 0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.804 -12.276 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.472 -12.633 2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.511 -8.920 2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.633 -10.285 2.480 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.557 -12.561 2.184 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.524 -12.382 3.193 1.00 0.00 C ATOM 1009 C LEU A 66 -4.038 -11.540 4.339 1.00 0.00 C ATOM 1010 O LEU A 66 -3.745 -11.855 5.492 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.277 -11.684 2.630 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.473 -12.519 1.633 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.290 -11.692 1.124 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.918 -13.781 2.286 1.00 0.00 C ATOM 0 H LEU A 66 -4.241 -12.319 1.245 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.256 -13.382 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.584 -10.758 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.626 -11.408 3.460 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.139 -12.802 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.287 -12.282 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.660 -10.792 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.346 -11.412 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.352 -14.352 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.264 -13.505 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.741 -14.389 2.662 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.798 -10.489 4.027 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.314 -9.554 5.003 1.00 0.00 C ATOM 1028 C LEU A 67 -6.333 -10.183 5.954 1.00 0.00 C ATOM 1029 O LEU A 67 -6.721 -9.549 6.934 1.00 0.00 O ATOM 1030 CB LEU A 67 -5.921 -8.350 4.277 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.668 -7.053 5.055 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -4.262 -6.505 4.809 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -6.696 -6.031 4.587 1.00 0.00 C ATOM 0 H LEU A 67 -5.072 -10.268 3.070 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.479 -9.233 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.491 -8.269 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.993 -8.499 4.152 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.755 -7.254 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.125 -5.586 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.524 -7.242 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.134 -6.296 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.546 -5.093 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.580 -5.862 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.700 -6.406 4.788 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.796 -11.401 5.663 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.602 -12.216 6.560 1.00 0.00 C ATOM 1047 C TYR A 68 -6.856 -13.480 7.034 1.00 0.00 C ATOM 1048 O TYR A 68 -7.288 -14.105 8.003 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.938 -12.530 5.871 1.00 0.00 C ATOM 1050 CG TYR A 68 -9.939 -13.216 6.778 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.388 -12.561 7.939 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -10.366 -14.530 6.504 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.220 -13.228 8.852 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -11.212 -15.197 7.404 1.00 0.00 C ATOM 1055 CZ TYR A 68 -11.622 -14.555 8.593 1.00 0.00 C ATOM 1056 OH TYR A 68 -12.432 -15.208 9.465 1.00 0.00 O ATOM 0 H TYR A 68 -6.612 -11.856 4.769 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.804 -11.657 7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.373 -11.602 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.751 -13.164 5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.091 -11.540 8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.042 -15.025 5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.551 -12.727 9.750 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.549 -16.200 7.187 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.611 -16.112 9.131 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.721 -13.832 6.415 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.956 -15.045 6.685 1.00 0.00 C ATOM 1068 C ASN A 69 -4.437 -15.040 8.118 1.00 0.00 C ATOM 1069 O ASN A 69 -4.749 -15.961 8.872 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.815 -15.176 5.672 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.236 -16.582 5.637 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -2.293 -16.908 6.352 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -3.767 -17.416 4.763 1.00 0.00 N ATOM 0 H ASN A 69 -5.300 -13.255 5.687 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.606 -15.913 6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.180 -14.911 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.026 -14.466 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.394 -18.361 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.550 -17.116 4.183 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.757 -13.959 8.510 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.413 -13.720 9.904 1.00 0.00 C ATOM 1082 C GLY A 70 -2.352 -12.644 10.101 1.00 0.00 C ATOM 1083 O GLY A 70 -2.394 -11.950 11.116 1.00 0.00 O ATOM 0 H GLY A 70 -3.434 -13.233 7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.314 -13.432 10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.059 -14.651 10.346 1.00 0.00 H new ATOM 1087 N THR A 71 -1.431 -12.470 9.151 1.00 0.00 N ATOM 1088 CA THR A 71 -0.282 -11.584 9.329 1.00 0.00 C ATOM 1089 C THR A 71 -0.668 -10.172 8.893 1.00 0.00 C ATOM 1090 O THR A 71 -0.737 -9.250 9.701 1.00 0.00 O ATOM 1091 CB THR A 71 0.925 -12.129 8.534 1.00 0.00 C ATOM 1092 OG1 THR A 71 1.003 -13.535 8.652 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.250 -11.514 8.999 1.00 0.00 C ATOM 0 H THR A 71 -1.461 -12.936 8.244 1.00 0.00 H new ATOM 0 HA THR A 71 0.011 -11.545 10.378 1.00 0.00 H new ATOM 0 HB THR A 71 0.765 -11.851 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.772 -13.864 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.069 -11.928 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.216 -10.433 8.864 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.408 -11.743 10.053 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.949 -10.016 7.597 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.290 -8.739 7.008 1.00 0.00 C ATOM 1103 C ALA A 72 -2.589 -8.243 7.625 1.00 0.00 C ATOM 1104 O ALA A 72 -3.588 -8.961 7.675 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.371 -8.879 5.486 1.00 0.00 C ATOM 0 H ALA A 72 -0.943 -10.787 6.929 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.520 -7.996 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.628 -7.916 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.407 -9.209 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.136 -9.612 5.228 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.575 -7.009 8.121 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.708 -6.408 8.801 1.00 0.00 C ATOM 1113 C LYS A 73 -3.506 -4.901 8.827 1.00 0.00 C ATOM 1114 O LYS A 73 -2.366 -4.440 8.972 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.775 -7.041 10.199 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.785 -6.359 11.114 1.00 0.00 C ATOM 1117 CD LYS A 73 -5.236 -7.242 12.291 1.00 0.00 C ATOM 1118 CE LYS A 73 -6.313 -8.291 11.933 1.00 0.00 C ATOM 1119 NZ LYS A 73 -5.770 -9.570 11.410 1.00 0.00 N ATOM 0 H LYS A 73 -1.764 -6.394 8.059 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.659 -6.588 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.035 -8.095 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.788 -6.997 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.348 -5.440 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.659 -6.072 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.365 -7.758 12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.622 -6.600 13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.910 -8.499 12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.986 -7.864 11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.428 -10.344 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.654 -9.502 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.848 -9.761 11.851 1.00 0.00 H new ATOM 1133 N MET A 74 -4.588 -4.139 8.653 1.00 0.00 N ATOM 1134 CA MET A 74 -4.552 -2.694 8.831 1.00 0.00 C ATOM 1135 C MET A 74 -4.508 -2.401 10.323 1.00 0.00 C ATOM 1136 O MET A 74 -5.313 -2.964 11.069 1.00 0.00 O ATOM 1137 CB MET A 74 -5.784 -2.016 8.207 1.00 0.00 C ATOM 1138 CG MET A 74 -5.752 -0.491 8.402 1.00 0.00 C ATOM 1139 SD MET A 74 -6.745 0.125 9.775 1.00 0.00 S ATOM 1140 CE MET A 74 -8.344 -0.143 8.994 1.00 0.00 C ATOM 0 H MET A 74 -5.502 -4.505 8.388 1.00 0.00 H new ATOM 0 HA MET A 74 -3.670 -2.297 8.329 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.826 -2.246 7.142 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.690 -2.422 8.657 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.718 -0.181 8.554 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.095 -0.015 7.483 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.097 0.474 9.485 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.284 0.128 7.940 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.621 -1.193 9.084 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.638 -1.476 10.728 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.487 -1.039 12.109 1.00 0.00 C ATOM 1152 C PHE A 75 -3.513 0.487 12.257 1.00 0.00 C ATOM 1153 O PHE A 75 -3.286 0.977 13.358 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.203 -1.640 12.691 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.914 -1.130 12.073 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.378 -1.738 10.920 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.230 -0.055 12.673 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.848 -1.290 10.393 1.00 0.00 C ATOM 1159 CE2 PHE A 75 0.987 0.396 12.138 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.538 -0.231 11.006 1.00 0.00 C ATOM 0 H PHE A 75 -3.004 -1.000 10.086 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.346 -1.402 12.674 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.179 -1.438 13.762 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.241 -2.723 12.572 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.908 -2.548 10.441 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.643 0.424 13.548 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.260 -1.763 9.514 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.502 1.227 12.597 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.487 0.100 10.610 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.776 1.250 11.190 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.840 2.711 11.217 1.00 0.00 C ATOM 1172 C LYS A 76 -4.661 3.132 10.003 1.00 0.00 C ATOM 1173 O LYS A 76 -4.551 2.506 8.944 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.410 3.301 11.220 1.00 0.00 C ATOM 1175 CG LYS A 76 -2.357 4.838 11.266 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.915 5.365 11.398 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.783 6.831 10.940 1.00 0.00 C ATOM 1178 NZ LYS A 76 -1.472 7.798 11.825 1.00 0.00 N ATOM 0 H LYS A 76 -3.954 0.858 10.265 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.318 3.090 12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.868 2.905 12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.887 2.958 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.809 5.243 10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.952 5.196 12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.593 5.281 12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.247 4.740 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.274 7.091 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.186 6.925 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.004 8.480 11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.128 7.289 12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.769 8.306 12.399 1.00 0.00 H new ATOM 1192 N SER A 77 -5.485 4.167 10.134 1.00 0.00 N ATOM 1193 CA SER A 77 -6.269 4.741 9.053 1.00 0.00 C ATOM 1194 C SER A 77 -6.406 6.234 9.302 1.00 0.00 C ATOM 1195 O SER A 77 -7.343 6.663 9.975 1.00 0.00 O ATOM 1196 CB SER A 77 -7.626 4.058 8.940 1.00 0.00 C ATOM 1197 OG SER A 77 -7.474 2.820 8.290 1.00 0.00 O ATOM 0 H SER A 77 -5.628 4.642 11.025 1.00 0.00 H new ATOM 0 HA SER A 77 -5.764 4.582 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.055 3.910 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.318 4.690 8.384 1.00 0.00 H new ATOM 0 HG SER A 77 -7.109 2.163 8.919 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.457 7.014 8.794 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.467 8.469 8.950 1.00 0.00 C ATOM 1205 C ASP A 78 -6.388 9.097 7.890 1.00 0.00 C ATOM 1206 O ASP A 78 -6.870 8.392 6.999 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.028 9.006 8.898 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.855 10.135 9.907 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.507 11.185 9.722 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.080 9.956 10.880 1.00 0.00 O ATOM 0 H ASP A 78 -4.661 6.659 8.264 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.871 8.747 9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.324 8.203 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.802 9.366 7.894 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.678 10.398 7.965 1.00 0.00 N ATOM 1216 CA ALA A 79 -7.666 11.055 7.103 1.00 0.00 C ATOM 1217 C ALA A 79 -6.990 11.870 5.999 1.00 0.00 C ATOM 1218 O ALA A 79 -5.930 12.457 6.221 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.573 11.941 7.965 1.00 0.00 C ATOM 0 H ALA A 79 -6.232 11.030 8.629 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.269 10.292 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.310 12.433 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.084 11.326 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.970 12.694 8.472 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.624 11.971 4.826 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.097 12.694 3.669 1.00 0.00 C ATOM 1227 C ILE A 80 -8.133 13.730 3.250 1.00 0.00 C ATOM 1228 O ILE A 80 -9.141 13.400 2.614 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.718 11.742 2.516 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.798 10.609 3.011 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.050 12.532 1.378 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.364 9.667 1.890 1.00 0.00 C ATOM 0 H ILE A 80 -8.534 11.544 4.653 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.169 13.198 3.939 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.630 11.283 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.914 11.043 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.316 10.036 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.786 11.851 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.741 13.288 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.149 13.017 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.718 8.890 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.244 9.208 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.820 10.230 1.132 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.873 14.986 3.611 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.624 16.121 3.098 1.00 0.00 C ATOM 1246 C LEU A 81 -8.057 16.496 1.722 1.00 0.00 C ATOM 1247 O LEU A 81 -6.846 16.384 1.507 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.580 17.301 4.086 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.068 16.974 5.515 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.070 18.235 6.383 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.476 16.363 5.535 1.00 0.00 C ATOM 0 H LEU A 81 -7.135 15.241 4.267 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.675 15.856 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.556 17.669 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.189 18.112 3.687 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.371 16.237 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.417 17.986 7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.060 18.640 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.735 18.978 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.767 16.154 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.183 17.065 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.479 15.436 4.961 1.00 0.00 H new ATOM 1263 N GLY A 82 -8.905 16.922 0.782 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.509 17.229 -0.594 1.00 0.00 C ATOM 1265 C GLY A 82 -8.068 18.681 -0.710 1.00 0.00 C ATOM 1266 O GLY A 82 -7.006 19.035 -0.199 1.00 0.00 O ATOM 0 H GLY A 82 -9.899 17.065 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.696 16.570 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.344 17.041 -1.269 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.886 19.541 -1.322 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.646 20.988 -1.424 1.00 0.00 C ATOM 1272 C GLN A 83 -9.942 21.762 -1.160 1.00 0.00 C ATOM 1273 O GLN A 83 -10.358 22.587 -1.976 1.00 0.00 O ATOM 1274 CB GLN A 83 -7.979 21.352 -2.769 1.00 0.00 C ATOM 1275 CG GLN A 83 -8.714 20.846 -4.027 1.00 0.00 C ATOM 1276 CD GLN A 83 -7.997 21.220 -5.322 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -6.844 21.646 -5.318 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -8.640 21.034 -6.461 1.00 0.00 N ATOM 0 H GLN A 83 -9.753 19.247 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.937 21.287 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.892 22.437 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.966 20.950 -2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.814 19.762 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.723 21.259 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.597 20.680 -6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.180 21.244 -7.347 1.00 0.00 H new ATOM 1287 N ASN A 84 -10.641 21.424 -0.070 1.00 0.00 N ATOM 1288 CA ASN A 84 -11.896 22.067 0.334 1.00 0.00 C ATOM 1289 C ASN A 84 -12.356 21.698 1.745 1.00 0.00 C ATOM 1290 O ASN A 84 -13.529 21.894 2.063 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.006 21.755 -0.699 1.00 0.00 C ATOM 1292 CG ASN A 84 -13.331 22.996 -1.512 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -13.726 24.035 -0.990 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -13.230 22.898 -2.824 1.00 0.00 N ATOM 0 H ASN A 84 -10.345 20.684 0.566 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.699 23.139 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.681 20.952 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -13.901 21.403 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.481 23.690 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.901 22.030 -3.247 1.00 0.00 H new ATOM 1301 N LYS A 85 -11.495 21.130 2.595 1.00 0.00 N ATOM 1302 CA LYS A 85 -11.909 20.387 3.789 1.00 0.00 C ATOM 1303 C LYS A 85 -12.926 19.315 3.388 1.00 0.00 C ATOM 1304 O LYS A 85 -14.001 19.182 3.971 1.00 0.00 O ATOM 1305 CB LYS A 85 -12.412 21.326 4.900 1.00 0.00 C ATOM 1306 CG LYS A 85 -11.418 22.452 5.221 1.00 0.00 C ATOM 1307 CD LYS A 85 -11.904 23.290 6.413 1.00 0.00 C ATOM 1308 CE LYS A 85 -13.052 24.232 6.011 1.00 0.00 C ATOM 1309 NZ LYS A 85 -12.676 25.644 6.222 1.00 0.00 N ATOM 0 H LYS A 85 -10.483 21.173 2.473 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.046 19.880 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.364 21.763 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.601 20.745 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.440 22.026 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.294 23.092 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.238 22.628 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.074 23.875 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.308 24.073 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.941 23.997 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.467 26.259 5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.455 25.798 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.841 25.871 5.645 1.00 0.00 H new ATOM 1323 N VAL A 86 -12.594 18.564 2.345 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.376 17.469 1.802 1.00 0.00 C ATOM 1325 C VAL A 86 -12.609 16.184 2.059 1.00 0.00 C ATOM 1326 O VAL A 86 -11.472 16.077 1.605 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.788 17.739 0.361 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -12.606 18.135 -0.480 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.552 16.569 -0.275 1.00 0.00 C ATOM 0 H VAL A 86 -11.726 18.713 1.831 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.338 17.362 2.303 1.00 0.00 H new ATOM 0 HB VAL A 86 -14.482 18.579 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -12.933 18.321 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.157 19.041 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.870 17.331 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.818 16.823 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.922 15.679 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.459 16.373 0.297 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.167 15.242 2.821 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.573 13.918 2.961 1.00 0.00 C ATOM 1341 C VAL A 87 -12.642 13.252 1.582 1.00 0.00 C ATOM 1342 O VAL A 87 -13.707 12.797 1.157 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.271 13.109 4.070 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.580 11.752 4.249 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.202 13.834 5.424 1.00 0.00 C ATOM 0 H VAL A 87 -14.029 15.374 3.349 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.532 13.977 3.278 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.311 12.986 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.082 11.189 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.629 11.193 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.537 11.908 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.704 13.235 6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.159 13.978 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.694 14.804 5.343 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.529 13.240 0.848 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.422 12.563 -0.444 1.00 0.00 C ATOM 1357 C ILE A 88 -11.066 11.087 -0.259 1.00 0.00 C ATOM 1358 O ILE A 88 -11.306 10.267 -1.143 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.420 13.295 -1.366 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.011 13.456 -0.753 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -10.998 14.673 -1.722 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -7.954 13.857 -1.789 1.00 0.00 C ATOM 0 H ILE A 88 -10.668 13.705 1.137 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.394 12.597 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.289 12.679 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.046 14.210 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.715 12.518 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.302 15.202 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.951 14.546 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.152 15.250 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.985 13.955 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.894 13.092 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.231 14.809 -2.241 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.517 10.719 0.896 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.055 9.370 1.145 1.00 0.00 C ATOM 1376 C GLY A 89 -9.433 9.261 2.525 1.00 0.00 C ATOM 1377 O GLY A 89 -9.532 10.181 3.341 1.00 0.00 O ATOM 0 H GLY A 89 -10.383 11.354 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.889 8.673 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.324 9.085 0.388 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.782 8.130 2.771 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.120 7.838 4.034 1.00 0.00 C ATOM 1383 C TRP A 90 -6.816 7.126 3.735 1.00 0.00 C ATOM 1384 O TRP A 90 -6.741 6.377 2.753 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.029 6.978 4.907 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.333 7.624 5.225 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.554 8.482 6.240 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.554 7.597 4.433 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -11.841 8.973 6.147 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.512 8.442 5.063 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.914 6.993 3.210 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.794 8.639 4.531 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.187 7.216 2.655 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.127 8.026 3.314 1.00 0.00 C ATOM 0 H TRP A 90 -8.699 7.379 2.086 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.910 8.758 4.579 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.216 6.031 4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.511 6.745 5.838 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.838 8.744 7.005 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.246 9.645 6.799 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.208 6.356 2.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.514 9.254 5.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.445 6.759 1.711 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.106 8.177 2.884 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.809 7.371 4.572 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.502 6.735 4.513 1.00 0.00 C ATOM 1407 C ASP A 91 -4.658 5.441 5.311 1.00 0.00 C ATOM 1408 O ASP A 91 -4.398 5.437 6.511 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.378 7.623 5.099 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.807 8.676 4.143 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.642 8.378 2.935 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.446 9.788 4.589 1.00 0.00 O ATOM 0 H ASP A 91 -5.888 8.043 5.336 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.201 6.555 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.763 8.130 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.564 6.978 5.430 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.179 4.373 4.698 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.257 3.034 5.300 1.00 0.00 C ATOM 1419 C LYS A 92 -3.850 2.440 5.209 1.00 0.00 C ATOM 1420 O LYS A 92 -3.314 2.315 4.104 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.252 2.109 4.558 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.721 2.123 5.024 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.421 3.484 4.888 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.877 3.495 5.394 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.827 2.773 4.516 1.00 0.00 N ATOM 0 H LYS A 92 -5.565 4.413 3.755 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.614 3.115 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.232 2.373 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.884 1.086 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.278 1.383 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.761 1.811 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.850 4.231 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.409 3.784 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.908 3.050 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.207 4.529 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.783 2.825 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.828 3.210 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.538 1.777 4.437 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.265 2.082 6.348 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.964 1.427 6.425 1.00 0.00 C ATOM 1441 C TYR A 93 -2.152 -0.102 6.505 1.00 0.00 C ATOM 1442 O TYR A 93 -3.240 -0.563 6.839 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.211 1.992 7.643 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.820 3.464 7.509 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.766 4.481 7.739 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.478 3.828 7.101 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.428 5.836 7.557 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.802 5.173 6.858 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.137 6.190 7.107 1.00 0.00 C ATOM 1450 OH TYR A 93 0.266 7.480 6.949 1.00 0.00 O ATOM 0 H TYR A 93 -3.691 2.242 7.261 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.371 1.625 5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.834 1.872 8.529 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.309 1.401 7.805 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.764 4.219 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.232 3.065 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.157 6.606 7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.780 5.428 6.477 1.00 0.00 H new ATOM 0 HH TYR A 93 1.193 7.497 6.631 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.119 -0.916 6.252 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.192 -2.387 6.328 1.00 0.00 C ATOM 1462 C PHE A 94 0.166 -2.975 6.712 1.00 0.00 C ATOM 1463 O PHE A 94 1.184 -2.423 6.298 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.593 -2.982 4.966 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.830 -2.385 4.328 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.115 -2.865 4.641 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -2.691 -1.301 3.449 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.254 -2.256 4.083 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -3.823 -0.689 2.901 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.109 -1.162 3.212 1.00 0.00 C ATOM 0 H PHE A 94 -0.197 -0.571 5.985 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.938 -2.636 7.083 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.757 -2.861 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.752 -4.053 5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.227 -3.704 5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.706 -0.938 3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.239 -2.629 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.708 0.153 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.980 -0.688 2.785 1.00 0.00 H new ATOM 1480 N GLU A 95 0.196 -4.104 7.431 1.00 0.00 N ATOM 1481 CA GLU A 95 1.442 -4.752 7.869 1.00 0.00 C ATOM 1482 C GLU A 95 1.694 -6.075 7.146 1.00 0.00 C ATOM 1483 O GLU A 95 1.472 -7.148 7.700 1.00 0.00 O ATOM 1484 CB GLU A 95 1.382 -4.968 9.385 1.00 0.00 C ATOM 1485 CG GLU A 95 2.775 -5.349 9.915 1.00 0.00 C ATOM 1486 CD GLU A 95 2.917 -5.054 11.400 1.00 0.00 C ATOM 1487 OE1 GLU A 95 2.704 -3.895 11.802 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.232 -5.993 12.170 1.00 0.00 O ATOM 0 H GLU A 95 -0.646 -4.597 7.727 1.00 0.00 H new ATOM 0 HA GLU A 95 2.276 -4.097 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.032 -4.060 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.666 -5.755 9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.954 -6.409 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.537 -4.800 9.361 1.00 0.00 H new ATOM 1495 N ILE A 96 2.091 -6.033 5.881 1.00 0.00 N ATOM 1496 CA ILE A 96 2.137 -7.232 5.056 1.00 0.00 C ATOM 1497 C ILE A 96 3.497 -7.936 5.260 1.00 0.00 C ATOM 1498 O ILE A 96 4.518 -7.257 5.270 1.00 0.00 O ATOM 1499 CB ILE A 96 1.842 -6.789 3.610 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.422 -6.171 3.514 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.945 -7.942 2.604 1.00 0.00 C ATOM 1502 CD1 ILE A 96 0.354 -4.981 2.558 1.00 0.00 C ATOM 0 H ILE A 96 2.386 -5.181 5.404 1.00 0.00 H new ATOM 0 HA ILE A 96 1.390 -7.977 5.329 1.00 0.00 H new ATOM 0 HB ILE A 96 2.600 -6.049 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.280 -6.936 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.102 -5.852 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.727 -7.571 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.953 -8.356 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.228 -8.720 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.664 -4.592 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.033 -4.200 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.644 -5.301 1.557 1.00 0.00 H new ATOM 1514 N PRO A 97 3.564 -9.269 5.405 1.00 0.00 N ATOM 1515 CA PRO A 97 4.822 -10.014 5.329 1.00 0.00 C ATOM 1516 C PRO A 97 5.323 -10.032 3.883 1.00 0.00 C ATOM 1517 O PRO A 97 4.613 -10.495 2.988 1.00 0.00 O ATOM 1518 CB PRO A 97 4.489 -11.431 5.792 1.00 0.00 C ATOM 1519 CG PRO A 97 3.007 -11.567 5.451 1.00 0.00 C ATOM 1520 CD PRO A 97 2.451 -10.167 5.660 1.00 0.00 C ATOM 0 HA PRO A 97 5.603 -9.566 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.092 -12.177 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.671 -11.560 6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.863 -11.904 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.514 -12.293 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.622 -9.968 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.070 -10.043 6.674 1.00 0.00 H new ATOM 1528 N MET A 98 6.568 -9.609 3.654 1.00 0.00 N ATOM 1529 CA MET A 98 7.229 -9.807 2.355 1.00 0.00 C ATOM 1530 C MET A 98 7.235 -11.298 1.988 1.00 0.00 C ATOM 1531 O MET A 98 6.948 -11.689 0.854 1.00 0.00 O ATOM 1532 CB MET A 98 8.675 -9.290 2.414 1.00 0.00 C ATOM 1533 CG MET A 98 8.769 -7.800 2.724 1.00 0.00 C ATOM 1534 SD MET A 98 10.455 -7.267 3.080 1.00 0.00 S ATOM 1535 CE MET A 98 10.116 -5.587 3.625 1.00 0.00 C ATOM 0 H MET A 98 7.141 -9.128 4.347 1.00 0.00 H new ATOM 0 HA MET A 98 6.678 -9.251 1.596 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.222 -9.848 3.174 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.164 -9.487 1.460 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.384 -7.232 1.877 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.132 -7.570 3.578 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.790 -5.326 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.268 -4.897 2.795 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.084 -5.518 3.970 1.00 0.00 H new ATOM 1545 N ASP A 99 7.549 -12.137 2.977 1.00 0.00 N ATOM 1546 CA ASP A 99 7.799 -13.573 2.849 1.00 0.00 C ATOM 1547 C ASP A 99 6.538 -14.398 2.536 1.00 0.00 C ATOM 1548 O ASP A 99 6.659 -15.608 2.334 1.00 0.00 O ATOM 1549 CB ASP A 99 8.480 -14.086 4.135 1.00 0.00 C ATOM 1550 CG ASP A 99 9.942 -14.480 3.927 1.00 0.00 C ATOM 1551 OD1 ASP A 99 10.240 -15.322 3.046 1.00 0.00 O ATOM 1552 OD2 ASP A 99 10.801 -13.958 4.681 1.00 0.00 O ATOM 0 H ASP A 99 7.640 -11.815 3.940 1.00 0.00 H new ATOM 0 HA ASP A 99 8.456 -13.708 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.425 -13.312 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.928 -14.947 4.511 1.00 0.00 H new ATOM 1557 N ALA A 100 5.337 -13.800 2.469 1.00 0.00 N ATOM 1558 CA ALA A 100 4.097 -14.506 2.109 1.00 0.00 C ATOM 1559 C ALA A 100 3.472 -13.989 0.803 1.00 0.00 C ATOM 1560 O ALA A 100 2.358 -14.383 0.450 1.00 0.00 O ATOM 1561 CB ALA A 100 3.084 -14.464 3.254 1.00 0.00 C ATOM 0 H ALA A 100 5.199 -12.808 2.664 1.00 0.00 H new ATOM 0 HA ALA A 100 4.376 -15.545 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.178 -14.994 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.512 -14.941 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.839 -13.427 3.485 1.00 0.00 H new ATOM 1567 N LEU A 101 4.147 -13.106 0.067 1.00 0.00 N ATOM 1568 CA LEU A 101 3.617 -12.591 -1.195 1.00 0.00 C ATOM 1569 C LEU A 101 3.869 -13.560 -2.342 1.00 0.00 C ATOM 1570 O LEU A 101 4.818 -14.341 -2.309 1.00 0.00 O ATOM 1571 CB LEU A 101 4.214 -11.216 -1.507 1.00 0.00 C ATOM 1572 CG LEU A 101 3.671 -10.147 -0.542 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.523 -8.890 -0.665 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.196 -9.818 -0.825 1.00 0.00 C ATOM 0 H LEU A 101 5.061 -12.733 0.323 1.00 0.00 H new ATOM 0 HA LEU A 101 2.538 -12.485 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.300 -11.262 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.978 -10.938 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 101 3.725 -10.539 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.146 -8.127 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.556 -9.125 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.477 -8.518 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.851 -9.059 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.096 -9.442 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.594 -10.719 -0.710 1.00 0.00 H new ATOM 1586 N GLN A 102 3.001 -13.487 -3.350 1.00 0.00 N ATOM 1587 CA GLN A 102 2.984 -14.320 -4.540 1.00 0.00 C ATOM 1588 C GLN A 102 4.292 -14.295 -5.311 1.00 0.00 C ATOM 1589 O GLN A 102 4.728 -15.329 -5.810 1.00 0.00 O ATOM 1590 CB GLN A 102 1.867 -13.776 -5.430 1.00 0.00 C ATOM 1591 CG GLN A 102 1.573 -14.699 -6.607 1.00 0.00 C ATOM 1592 CD GLN A 102 0.459 -14.125 -7.462 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.696 -13.569 -8.529 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.765 -14.115 -6.963 1.00 0.00 N ATOM 0 H GLN A 102 2.247 -12.801 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 102 2.828 -15.357 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.962 -13.646 -4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.148 -12.791 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.472 -14.829 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.288 -15.686 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.958 -14.579 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.517 -13.644 -7.466 1.00 0.00 H new ATOM 1603 N ASP A 103 4.838 -13.096 -5.457 1.00 0.00 N ATOM 1604 CA ASP A 103 5.997 -12.746 -6.249 1.00 0.00 C ATOM 1605 C ASP A 103 6.772 -11.759 -5.381 1.00 0.00 C ATOM 1606 O ASP A 103 6.251 -11.268 -4.371 1.00 0.00 O ATOM 1607 CB ASP A 103 5.569 -12.044 -7.557 1.00 0.00 C ATOM 1608 CG ASP A 103 4.785 -12.899 -8.555 1.00 0.00 C ATOM 1609 OD1 ASP A 103 5.085 -14.095 -8.735 1.00 0.00 O ATOM 1610 OD2 ASP A 103 3.906 -12.343 -9.258 1.00 0.00 O ATOM 0 H ASP A 103 4.446 -12.281 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 103 6.580 -13.625 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.962 -11.176 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.464 -11.670 -8.054 1.00 0.00 H new ATOM 1615 N ASN A 104 7.972 -11.370 -5.808 1.00 0.00 N ATOM 1616 CA ASN A 104 8.724 -10.282 -5.188 1.00 0.00 C ATOM 1617 C ASN A 104 8.145 -8.947 -5.672 1.00 0.00 C ATOM 1618 O ASN A 104 8.878 -8.100 -6.170 1.00 0.00 O ATOM 1619 CB ASN A 104 10.236 -10.414 -5.476 1.00 0.00 C ATOM 1620 CG ASN A 104 10.792 -11.727 -4.948 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.436 -12.796 -5.433 1.00 0.00 O ATOM 1622 ND2 ASN A 104 11.608 -11.704 -3.907 1.00 0.00 N ATOM 0 H ASN A 104 8.452 -11.803 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 104 8.623 -10.329 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.410 -10.350 -6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.769 -9.581 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.945 -12.578 -3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.901 -10.812 -3.508 1.00 0.00 H new ATOM 1629 N SER A 105 6.826 -8.758 -5.574 1.00 0.00 N ATOM 1630 CA SER A 105 6.147 -7.497 -5.824 1.00 0.00 C ATOM 1631 C SER A 105 4.996 -7.350 -4.828 1.00 0.00 C ATOM 1632 O SER A 105 4.512 -8.352 -4.289 1.00 0.00 O ATOM 1633 CB SER A 105 5.697 -7.410 -7.295 1.00 0.00 C ATOM 1634 OG SER A 105 4.755 -8.406 -7.648 1.00 0.00 O ATOM 0 H SER A 105 6.186 -9.507 -5.309 1.00 0.00 H new ATOM 0 HA SER A 105 6.825 -6.658 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.263 -6.427 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.570 -7.499 -7.942 1.00 0.00 H new ATOM 0 HG SER A 105 4.505 -8.301 -8.590 1.00 0.00 H new ATOM 1640 N ILE A 106 4.527 -6.125 -4.587 1.00 0.00 N ATOM 1641 CA ILE A 106 3.366 -5.855 -3.749 1.00 0.00 C ATOM 1642 C ILE A 106 2.336 -5.060 -4.553 1.00 0.00 C ATOM 1643 O ILE A 106 2.674 -4.143 -5.304 1.00 0.00 O ATOM 1644 CB ILE A 106 3.776 -5.220 -2.398 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.569 -4.945 -1.472 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.580 -3.919 -2.566 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.756 -6.192 -1.101 1.00 0.00 C ATOM 0 H ILE A 106 4.952 -5.283 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 106 2.880 -6.788 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 106 4.415 -5.969 -1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.929 -4.476 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.909 -4.228 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.838 -3.522 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.492 -4.125 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.980 -3.188 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.930 -5.907 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.362 -6.652 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.398 -6.904 -0.582 1.00 0.00 H new ATOM 1659 N GLN A 107 1.069 -5.420 -4.355 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.120 -4.829 -4.932 1.00 0.00 C ATOM 1661 C GLN A 107 -1.241 -5.021 -3.912 1.00 0.00 C ATOM 1662 O GLN A 107 -1.346 -6.101 -3.330 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.443 -5.598 -6.218 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.730 -5.112 -6.881 1.00 0.00 C ATOM 1665 CD GLN A 107 -2.231 -6.055 -7.959 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -2.433 -7.249 -7.735 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.540 -5.491 -9.092 1.00 0.00 N ATOM 0 H GLN A 107 0.837 -6.196 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 107 0.006 -3.771 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.385 -5.492 -6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.534 -6.660 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.502 -4.994 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.559 -4.128 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.355 -4.498 -9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.967 -6.042 -9.836 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.156 -4.063 -3.784 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.402 -4.215 -3.032 1.00 0.00 C ATOM 1678 C ILE A 108 -4.553 -4.080 -4.041 1.00 0.00 C ATOM 1679 O ILE A 108 -4.399 -3.438 -5.077 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.424 -3.194 -1.870 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.224 -3.432 -0.916 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.750 -3.299 -1.098 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.073 -2.351 0.156 1.00 0.00 C ATOM 0 H ILE A 108 -2.051 -3.141 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.503 -5.189 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.339 -2.190 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.343 -4.400 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.307 -3.481 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.754 -2.576 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.581 -3.091 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.856 -4.305 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.215 -2.582 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.922 -1.383 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.974 -2.317 0.768 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.699 -4.717 -3.798 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.861 -4.621 -4.676 1.00 0.00 C ATOM 1697 C LYS A 109 -8.107 -4.509 -3.795 1.00 0.00 C ATOM 1698 O LYS A 109 -8.152 -5.114 -2.722 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.895 -5.801 -5.677 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.734 -7.219 -5.094 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.389 -7.909 -5.404 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.134 -7.112 -5.010 1.00 0.00 C ATOM 1703 NZ LYS A 109 -2.894 -7.922 -5.010 1.00 0.00 N ATOM 0 H LYS A 109 -5.846 -5.315 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.814 -3.730 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.842 -5.762 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.105 -5.645 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.856 -7.165 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.541 -7.845 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.365 -8.870 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.345 -8.119 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.013 -6.277 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.280 -6.687 -4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.206 -7.504 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.114 -8.893 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.490 -7.938 -5.968 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.086 -3.695 -4.182 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.296 -3.463 -3.394 1.00 0.00 C ATOM 1719 C ALA A 110 -11.538 -3.279 -4.277 1.00 0.00 C ATOM 1720 O ALA A 110 -11.433 -2.791 -5.402 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.070 -2.229 -2.524 1.00 0.00 C ATOM 0 H ALA A 110 -9.063 -3.173 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.485 -4.339 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.961 -2.037 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.220 -2.400 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.867 -1.368 -3.160 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.717 -3.620 -3.743 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.016 -3.392 -4.386 1.00 0.00 C ATOM 1729 C LEU A 111 -14.358 -1.901 -4.326 1.00 0.00 C ATOM 1730 O LEU A 111 -14.331 -1.323 -3.233 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.113 -4.208 -3.665 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.462 -4.221 -4.419 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.518 -5.306 -5.497 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.624 -4.475 -3.455 1.00 0.00 C ATOM 0 H LEU A 111 -12.796 -4.072 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.963 -3.712 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.767 -5.234 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.266 -3.796 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.550 -3.240 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.486 -5.273 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.727 -5.135 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.381 -6.284 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.562 -4.480 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.487 -5.439 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.651 -3.687 -2.702 1.00 0.00 H new ATOM 1746 N SER A 112 -14.735 -1.299 -5.454 1.00 0.00 N ATOM 1747 CA SER A 112 -15.420 -0.014 -5.484 1.00 0.00 C ATOM 1748 C SER A 112 -16.837 -0.200 -4.943 1.00 0.00 C ATOM 1749 O SER A 112 -17.070 0.103 -3.772 1.00 0.00 O ATOM 1750 CB SER A 112 -15.411 0.588 -6.898 1.00 0.00 C ATOM 1751 OG SER A 112 -14.106 0.730 -7.395 1.00 0.00 O ATOM 0 H SER A 112 -14.570 -1.696 -6.379 1.00 0.00 H new ATOM 0 HA SER A 112 -14.895 0.699 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.988 -0.049 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.902 1.561 -6.882 1.00 0.00 H new ATOM 0 HG SER A 112 -13.727 1.578 -7.082 1.00 0.00 H new ATOM 1757 N SER A 113 -17.764 -0.699 -5.766 1.00 0.00 N ATOM 1758 CA SER A 113 -19.188 -0.838 -5.475 1.00 0.00 C ATOM 1759 C SER A 113 -19.869 -1.356 -6.740 1.00 0.00 C ATOM 1760 O SER A 113 -19.896 -0.668 -7.766 1.00 0.00 O ATOM 1761 CB SER A 113 -19.807 0.499 -5.031 1.00 0.00 C ATOM 1762 OG SER A 113 -21.180 0.360 -4.747 1.00 0.00 O ATOM 0 H SER A 113 -17.526 -1.033 -6.700 1.00 0.00 H new ATOM 0 HA SER A 113 -19.330 -1.536 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.286 0.867 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.670 1.244 -5.815 1.00 0.00 H new ATOM 0 HG SER A 113 -21.545 1.225 -4.466 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.410 -2.572 -6.670 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.117 -3.193 -7.776 1.00 0.00 C ATOM 1770 C GLY A 114 -20.142 -3.818 -8.750 1.00 0.00 C ATOM 1771 O GLY A 114 -19.801 -3.197 -9.755 1.00 0.00 O ATOM 0 H GLY A 114 -20.366 -3.154 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.799 -3.954 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.725 -2.448 -8.290 1.00 0.00 H new ATOM 1775 N THR A 115 -19.684 -5.028 -8.413 1.00 0.00 N ATOM 1776 CA THR A 115 -18.749 -5.916 -9.107 1.00 0.00 C ATOM 1777 C THR A 115 -17.353 -5.339 -9.377 1.00 0.00 C ATOM 1778 O THR A 115 -16.413 -6.099 -9.598 1.00 0.00 O ATOM 1779 CB THR A 115 -19.435 -6.671 -10.250 1.00 0.00 C ATOM 1780 OG1 THR A 115 -18.727 -7.845 -10.620 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.573 -5.805 -11.468 1.00 0.00 C ATOM 0 H THR A 115 -19.998 -5.458 -7.543 1.00 0.00 H new ATOM 0 HA THR A 115 -18.469 -6.693 -8.396 1.00 0.00 H new ATOM 0 HB THR A 115 -20.419 -6.951 -9.874 1.00 0.00 H new ATOM 0 HG1 THR A 115 -17.772 -7.722 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.063 -6.369 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 115 -20.171 -4.927 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 115 -18.585 -5.490 -11.804 1.00 0.00 H new ATOM 1789 N THR A 116 -17.190 -4.025 -9.315 1.00 0.00 N ATOM 1790 CA THR A 116 -15.982 -3.333 -9.699 1.00 0.00 C ATOM 1791 C THR A 116 -14.897 -3.620 -8.705 1.00 0.00 C ATOM 1792 O THR A 116 -15.011 -3.220 -7.542 1.00 0.00 O ATOM 1793 CB THR A 116 -16.209 -1.819 -9.760 1.00 0.00 C ATOM 1794 OG1 THR A 116 -17.364 -1.402 -9.054 1.00 0.00 O ATOM 1795 CG2 THR A 116 -16.286 -1.446 -11.224 1.00 0.00 C ATOM 0 H THR A 116 -17.923 -3.397 -8.984 1.00 0.00 H new ATOM 0 HA THR A 116 -15.692 -3.686 -10.688 1.00 0.00 H new ATOM 0 HB THR A 116 -15.384 -1.305 -9.267 1.00 0.00 H new ATOM 0 HG1 THR A 116 -17.458 -0.429 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 116 -16.448 -0.372 -11.318 1.00 0.00 H new ATOM 0 HG22 THR A 116 -15.353 -1.717 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 116 -17.113 -1.980 -11.692 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.835 -4.262 -9.174 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.670 -4.507 -8.371 1.00 0.00 C ATOM 1805 C PHE A 117 -11.496 -3.793 -9.014 1.00 0.00 C ATOM 1806 O PHE A 117 -11.219 -3.977 -10.199 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.486 -6.015 -8.179 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.363 -6.429 -6.730 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -11.136 -6.318 -6.049 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.497 -6.916 -6.058 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -11.054 -6.685 -4.692 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.419 -7.273 -4.703 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.201 -7.142 -4.018 1.00 0.00 C ATOM 0 H PHE A 117 -13.769 -4.624 -10.125 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.767 -4.103 -7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.332 -6.536 -8.627 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.594 -6.335 -8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.261 -5.953 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.433 -7.016 -6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.111 -6.616 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.292 -7.647 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.144 -7.393 -2.969 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.875 -2.912 -8.241 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.772 -2.079 -8.672 1.00 0.00 C ATOM 1825 C VAL A 118 -8.523 -2.754 -8.117 1.00 0.00 C ATOM 1826 O VAL A 118 -8.496 -3.190 -6.962 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.961 -0.631 -8.163 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -8.976 0.331 -8.842 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -11.381 -0.109 -8.416 1.00 0.00 C ATOM 0 H VAL A 118 -11.137 -2.756 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.701 -1.990 -9.756 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.775 -0.666 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.134 1.341 -8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.954 0.018 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.139 0.318 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.466 0.911 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.588 -0.121 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.100 -0.746 -7.900 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.484 -2.835 -8.933 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.200 -3.424 -8.610 1.00 0.00 C ATOM 1841 C TYR A 119 -5.170 -2.305 -8.659 1.00 0.00 C ATOM 1842 O TYR A 119 -5.137 -1.519 -9.617 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.895 -4.557 -9.599 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.899 -5.695 -9.569 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.163 -5.515 -10.148 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.589 -6.930 -8.972 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.125 -6.531 -10.103 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -7.556 -7.954 -8.911 1.00 0.00 C ATOM 1849 CZ TYR A 119 -8.840 -7.756 -9.472 1.00 0.00 C ATOM 1850 OH TYR A 119 -9.806 -8.714 -9.395 1.00 0.00 O ATOM 0 H TYR A 119 -7.518 -2.473 -9.886 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.188 -3.870 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.860 -4.145 -10.607 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.904 -4.956 -9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.398 -4.580 -10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.605 -7.095 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.093 -6.373 -10.556 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.316 -8.893 -8.434 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.451 -9.500 -8.931 1.00 0.00 H new ATOM 1860 N SER A 120 -4.356 -2.176 -7.612 1.00 0.00 N ATOM 1861 CA SER A 120 -3.335 -1.148 -7.587 1.00 0.00 C ATOM 1862 C SER A 120 -2.300 -1.461 -8.664 1.00 0.00 C ATOM 1863 O SER A 120 -2.209 -2.588 -9.161 1.00 0.00 O ATOM 1864 CB SER A 120 -2.726 -1.013 -6.179 1.00 0.00 C ATOM 1865 OG SER A 120 -1.677 -1.933 -5.906 1.00 0.00 O ATOM 0 H SER A 120 -4.388 -2.767 -6.781 1.00 0.00 H new ATOM 0 HA SER A 120 -3.770 -0.174 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.346 0.001 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.515 -1.150 -5.440 1.00 0.00 H new ATOM 0 HG SER A 120 -0.897 -1.713 -6.457 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.447 -0.489 -8.959 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.292 -0.782 -9.789 1.00 0.00 C ATOM 1873 C GLN A 121 0.635 -1.753 -9.057 1.00 0.00 C ATOM 1874 O GLN A 121 0.684 -1.764 -7.821 1.00 0.00 O ATOM 1875 CB GLN A 121 0.402 0.503 -10.246 1.00 0.00 C ATOM 1876 CG GLN A 121 0.840 1.484 -9.151 1.00 0.00 C ATOM 1877 CD GLN A 121 1.285 2.823 -9.732 1.00 0.00 C ATOM 1878 OE1 GLN A 121 0.854 3.258 -10.794 1.00 0.00 O ATOM 1879 NE2 GLN A 121 2.079 3.564 -8.997 1.00 0.00 N ATOM 0 H GLN A 121 -1.529 0.479 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.614 -1.277 -10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.283 0.225 -10.824 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.271 1.029 -10.923 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.015 1.645 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.658 1.047 -8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.439 3.204 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.337 4.500 -9.309 1.00 0.00 H new ATOM 1888 N LYS A 122 1.318 -2.582 -9.841 1.00 0.00 N ATOM 1889 CA LYS A 122 2.248 -3.618 -9.406 1.00 0.00 C ATOM 1890 C LYS A 122 3.583 -2.960 -9.114 1.00 0.00 C ATOM 1891 O LYS A 122 4.063 -2.220 -9.968 1.00 0.00 O ATOM 1892 CB LYS A 122 2.382 -4.608 -10.576 1.00 0.00 C ATOM 1893 CG LYS A 122 3.449 -5.698 -10.372 1.00 0.00 C ATOM 1894 CD LYS A 122 4.812 -5.348 -11.002 1.00 0.00 C ATOM 1895 CE LYS A 122 5.389 -6.514 -11.812 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.595 -6.844 -13.010 1.00 0.00 N ATOM 0 H LYS A 122 1.232 -2.546 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 122 1.907 -4.136 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.417 -5.088 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.620 -4.050 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.584 -5.868 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.089 -6.633 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.699 -4.478 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.514 -5.071 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.406 -6.267 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.452 -7.395 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.167 -7.424 -13.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.746 -7.375 -12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.311 -5.967 -13.491 1.00 0.00 H new ATOM 1910 N ILE A 123 4.208 -3.264 -7.978 1.00 0.00 N ATOM 1911 CA ILE A 123 5.539 -2.768 -7.654 1.00 0.00 C ATOM 1912 C ILE A 123 6.417 -3.938 -7.225 1.00 0.00 C ATOM 1913 O ILE A 123 6.282 -4.428 -6.104 1.00 0.00 O ATOM 1914 CB ILE A 123 5.450 -1.636 -6.605 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.505 -0.460 -6.975 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.853 -1.089 -6.316 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.834 0.334 -8.257 1.00 0.00 C ATOM 0 H ILE A 123 3.803 -3.862 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 123 6.009 -2.322 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 123 5.009 -2.098 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.495 -0.857 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.493 0.239 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.787 -0.291 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.484 -1.890 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.287 -0.696 -7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.096 1.124 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.826 0.776 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.813 -0.337 -9.116 1.00 0.00 H new ATOM 1929 N ASP A 124 7.296 -4.380 -8.128 1.00 0.00 N ATOM 1930 CA ASP A 124 8.384 -5.322 -7.849 1.00 0.00 C ATOM 1931 C ASP A 124 9.306 -4.710 -6.800 1.00 0.00 C ATOM 1932 O ASP A 124 9.490 -3.495 -6.777 1.00 0.00 O ATOM 1933 CB ASP A 124 9.154 -5.664 -9.141 1.00 0.00 C ATOM 1934 CG ASP A 124 8.675 -6.961 -9.788 1.00 0.00 C ATOM 1935 OD1 ASP A 124 7.467 -7.085 -10.061 1.00 0.00 O ATOM 1936 OD2 ASP A 124 9.495 -7.863 -10.064 1.00 0.00 O ATOM 0 H ASP A 124 7.270 -4.083 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 124 7.974 -6.255 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 124 9.043 -4.846 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.217 -5.747 -8.914 1.00 0.00 H new ATOM 1941 N PHE A 125 9.919 -5.509 -5.931 1.00 0.00 N ATOM 1942 CA PHE A 125 10.843 -5.037 -4.911 1.00 0.00 C ATOM 1943 C PHE A 125 11.990 -6.027 -4.737 1.00 0.00 C ATOM 1944 O PHE A 125 11.940 -7.159 -5.222 1.00 0.00 O ATOM 1945 CB PHE A 125 10.088 -4.764 -3.594 1.00 0.00 C ATOM 1946 CG PHE A 125 9.455 -5.962 -2.903 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.209 -6.760 -2.022 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.078 -6.214 -3.043 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.595 -7.796 -1.297 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.470 -7.262 -2.328 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.229 -8.062 -1.460 1.00 0.00 C ATOM 0 H PHE A 125 9.783 -6.520 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 125 11.285 -4.092 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.782 -4.297 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.303 -4.036 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.266 -6.575 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.484 -5.599 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.180 -8.390 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.414 -7.452 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.764 -8.875 -0.922 1.00 0.00 H new ATOM 1961 N GLU A 126 13.016 -5.598 -4.011 1.00 0.00 N ATOM 1962 CA GLU A 126 14.029 -6.467 -3.447 1.00 0.00 C ATOM 1963 C GLU A 126 13.869 -6.371 -1.953 1.00 0.00 C ATOM 1964 O GLU A 126 13.689 -5.279 -1.410 1.00 0.00 O ATOM 1965 CB GLU A 126 15.422 -6.111 -3.965 1.00 0.00 C ATOM 1966 CG GLU A 126 15.518 -6.442 -5.460 1.00 0.00 C ATOM 1967 CD GLU A 126 16.949 -6.721 -5.907 1.00 0.00 C ATOM 1968 OE1 GLU A 126 17.372 -7.895 -5.833 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.619 -5.808 -6.448 1.00 0.00 O ATOM 0 H GLU A 126 13.165 -4.612 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 126 13.906 -7.506 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.621 -5.051 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.179 -6.665 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.897 -7.311 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 126 15.116 -5.611 -6.039 1.00 0.00 H new ATOM 1976 N ARG A 127 13.855 -7.545 -1.334 1.00 0.00 N ATOM 1977 CA ARG A 127 13.980 -7.706 0.090 1.00 0.00 C ATOM 1978 C ARG A 127 15.346 -8.295 0.288 1.00 0.00 C ATOM 1979 O ARG A 127 15.665 -9.329 -0.298 1.00 0.00 O ATOM 1980 CB ARG A 127 12.848 -8.479 0.763 1.00 0.00 C ATOM 1981 CG ARG A 127 12.247 -9.647 -0.012 1.00 0.00 C ATOM 1982 CD ARG A 127 13.066 -10.909 -0.213 1.00 0.00 C ATOM 1983 NE ARG A 127 13.657 -11.400 1.044 1.00 0.00 N ATOM 1984 CZ ARG A 127 14.706 -12.217 1.201 1.00 0.00 C ATOM 1985 NH1 ARG A 127 15.399 -12.700 0.170 1.00 0.00 N ATOM 1986 NH2 ARG A 127 15.041 -12.558 2.438 1.00 0.00 N ATOM 0 H ARG A 127 13.753 -8.429 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 127 13.880 -6.747 0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.218 -8.859 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 127 12.047 -7.776 0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.324 -9.933 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.970 -9.276 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.433 -11.686 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.861 -10.713 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 127 13.211 -11.077 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.136 -12.450 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.192 -13.320 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.505 -12.200 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.834 -13.179 2.599 1.00 0.00 H new ATOM 2000 N GLU A 128 16.162 -7.562 1.018 1.00 0.00 N ATOM 2001 CA GLU A 128 17.403 -8.096 1.556 1.00 0.00 C ATOM 2002 C GLU A 128 17.072 -9.419 2.252 1.00 0.00 C ATOM 2003 O GLU A 128 17.767 -10.421 1.993 1.00 0.00 O ATOM 2004 CB GLU A 128 18.149 -7.059 2.421 1.00 0.00 C ATOM 2005 CG GLU A 128 17.884 -7.074 3.934 1.00 0.00 C ATOM 2006 CD GLU A 128 18.716 -8.071 4.763 1.00 0.00 C ATOM 2007 OE1 GLU A 128 19.871 -8.389 4.400 1.00 0.00 O ATOM 2008 OE2 GLU A 128 18.267 -8.405 5.889 1.00 0.00 O ATOM 0 H GLU A 128 15.988 -6.585 1.256 1.00 0.00 H new ATOM 0 HA GLU A 128 18.121 -8.311 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 128 19.219 -7.199 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.900 -6.066 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 128 18.064 -6.072 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 128 16.828 -7.293 4.094 1.00 0.00 H new TER 2015 GLU A 128