USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1070 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 78 MET CE :methyl 151:sc= -14.7! (180deg=-13.5!) USER MOD Set 1.2: A 86 MET CE :methyl -140:sc= -3.75! (180deg=-6.75!) USER MOD Set 2.1: A 67 ASN :FLIP amide:sc= -0.59 F(o=-4.5!,f=-2) USER MOD Set 2.2: A 80 HIS : no HE2:sc= -1.43 K(o=-2,f=-9.2!) USER MOD Set 3.1: A 53 ASN : amide:sc= -3.04! C(o=-4.3!,f=-4.1!) USER MOD Set 3.2: A 70 HIS : no HE2:sc= -1.31 K(o=-4.3,f=-7.4!) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0.0618 USER MOD Set 4.2: A 10 ASN :FLIP amide:sc= -1.58 F(o=-3.4,f=-1.5) USER MOD Single : A 1 SER N :NH3+ -127:sc= -5.51! (180deg=-12.1!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.24 F(o=-2.8!,f=-1.2) USER MOD Single : A 11 ASN : amide:sc= -6.17! C(o=-6.2!,f=-15!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -142:sc= -8.72! (180deg=-14.9!) USER MOD Single : A 18 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 43:sc= 0.558 USER MOD Single : A 28 SER OG : rot 180:sc= -0.418 USER MOD Single : A 34 TYR OH : rot 109:sc= 0.135! USER MOD Single : A 35 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc=-0.00456 (180deg=-0.071) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -119:sc= -0.302 (180deg=-2.91!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.12) USER MOD Single : A 72 ASN : amide:sc=-0.00681 K(o=-0.0068,f=-1.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.436 F(o=-3.3,f=-0.44) USER MOD Single : A 89 GLN : amide:sc= -1.36 K(o=-1.4,f=-8.9!) USER MOD Single : A 95 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-4.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0567 K(o=-0.057,f=-3.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 146:sc= -12.5! (180deg=-15.2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -130:sc= -0.737 USER MOD Single : A 116 MET CE :methyl -133:sc= -0.0448 (180deg=-1.49!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -7.62! C(o=-7.6!,f=-13!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.17) USER MOD Single : A 130 ASN : amide:sc= -0.45 K(o=-0.45,f=-2.3!) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.285 -10.028 -14.226 1.00 0.00 N ATOM 2 CA SER A 1 -10.434 -11.388 -13.739 1.00 0.00 C ATOM 3 C SER A 1 -9.782 -11.525 -12.361 1.00 0.00 C ATOM 4 O SER A 1 -10.417 -11.980 -11.411 1.00 0.00 O ATOM 5 CB SER A 1 -9.822 -12.394 -14.717 1.00 0.00 C ATOM 6 OG SER A 1 -10.787 -13.325 -15.198 1.00 0.00 O ATOM 0 H1 SER A 1 -11.216 -9.652 -14.496 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.875 -9.434 -13.477 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.657 -10.023 -15.055 1.00 0.00 H new ATOM 0 HA SER A 1 -11.499 -11.606 -13.654 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.383 -11.860 -15.559 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.013 -12.933 -14.224 1.00 0.00 H new ATOM 0 HG SER A 1 -10.358 -13.949 -15.820 1.00 0.00 H new ATOM 12 N PRO A 2 -8.487 -11.110 -12.294 1.00 0.00 N ATOM 13 CA PRO A 2 -7.743 -11.182 -11.048 1.00 0.00 C ATOM 14 C PRO A 2 -8.183 -10.079 -10.083 1.00 0.00 C ATOM 15 O PRO A 2 -9.233 -9.468 -10.270 1.00 0.00 O ATOM 16 CB PRO A 2 -6.283 -11.068 -11.455 1.00 0.00 C ATOM 17 CG PRO A 2 -6.287 -10.472 -12.854 1.00 0.00 C ATOM 18 CD PRO A 2 -7.703 -10.566 -13.397 1.00 0.00 C ATOM 0 HA PRO A 2 -7.920 -12.110 -10.505 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.732 -10.433 -10.761 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.798 -12.044 -11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.957 -9.434 -12.827 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.594 -11.011 -13.500 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.075 -9.588 -13.703 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.749 -11.213 -14.273 1.00 0.00 H new ATOM 26 N GLU A 3 -7.356 -9.859 -9.071 1.00 0.00 N ATOM 27 CA GLU A 3 -7.645 -8.841 -8.076 1.00 0.00 C ATOM 28 C GLU A 3 -7.884 -7.490 -8.752 1.00 0.00 C ATOM 29 O GLU A 3 -8.570 -6.628 -8.203 1.00 0.00 O ATOM 30 CB GLU A 3 -6.521 -8.746 -7.044 1.00 0.00 C ATOM 31 CG GLU A 3 -6.561 -9.931 -6.075 1.00 0.00 C ATOM 32 CD GLU A 3 -7.853 -9.923 -5.256 1.00 0.00 C ATOM 33 OE1 GLU A 3 -8.864 -10.436 -5.781 1.00 0.00 O ATOM 34 OE2 GLU A 3 -7.800 -9.404 -4.119 1.00 0.00 O ATOM 0 H GLU A 3 -6.486 -10.369 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.554 -9.127 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.557 -8.720 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.612 -7.813 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.485 -10.865 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.701 -9.888 -5.406 1.00 0.00 H new ATOM 41 N ILE A 4 -7.306 -7.346 -9.935 1.00 0.00 N ATOM 42 CA ILE A 4 -7.447 -6.115 -10.692 1.00 0.00 C ATOM 43 C ILE A 4 -8.931 -5.838 -10.937 1.00 0.00 C ATOM 44 O ILE A 4 -9.369 -4.690 -10.884 1.00 0.00 O ATOM 45 CB ILE A 4 -6.614 -6.176 -11.975 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.260 -6.842 -11.718 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.461 -4.786 -12.596 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.615 -6.299 -10.441 1.00 0.00 C ATOM 0 H ILE A 4 -6.739 -8.062 -10.388 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.054 -5.272 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.145 -6.795 -12.698 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.392 -7.921 -11.633 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.598 -6.668 -12.566 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.865 -4.858 -13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.445 -4.385 -12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.963 -4.124 -11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.654 -6.789 -10.282 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.462 -5.224 -10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.268 -6.497 -9.591 1.00 0.00 H new ATOM 60 N MET A 5 -9.665 -6.911 -11.197 1.00 0.00 N ATOM 61 CA MET A 5 -11.093 -6.797 -11.449 1.00 0.00 C ATOM 62 C MET A 5 -11.898 -7.106 -10.186 1.00 0.00 C ATOM 63 O MET A 5 -13.110 -6.902 -10.152 1.00 0.00 O ATOM 64 CB MET A 5 -11.492 -7.768 -12.561 1.00 0.00 C ATOM 65 CG MET A 5 -12.585 -7.166 -13.448 1.00 0.00 C ATOM 66 SD MET A 5 -12.001 -7.035 -15.130 1.00 0.00 S ATOM 67 CE MET A 5 -11.540 -5.312 -15.165 1.00 0.00 C ATOM 0 H MET A 5 -9.299 -7.862 -11.239 1.00 0.00 H new ATOM 0 HA MET A 5 -11.310 -5.773 -11.753 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.619 -8.011 -13.167 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.846 -8.702 -12.124 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.479 -7.789 -13.412 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.867 -6.182 -13.074 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.152 -5.059 -16.152 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.414 -4.697 -14.951 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.772 -5.125 -14.414 1.00 0.00 H new ATOM 77 N LYS A 6 -11.191 -7.594 -9.177 1.00 0.00 N ATOM 78 CA LYS A 6 -11.826 -7.933 -7.915 1.00 0.00 C ATOM 79 C LYS A 6 -11.384 -6.936 -6.841 1.00 0.00 C ATOM 80 O LYS A 6 -10.245 -6.985 -6.376 1.00 0.00 O ATOM 81 CB LYS A 6 -11.547 -9.393 -7.549 1.00 0.00 C ATOM 82 CG LYS A 6 -12.630 -9.941 -6.617 1.00 0.00 C ATOM 83 CD LYS A 6 -12.195 -11.271 -5.996 1.00 0.00 C ATOM 84 CE LYS A 6 -12.593 -11.342 -4.520 1.00 0.00 C ATOM 85 NZ LYS A 6 -14.037 -11.637 -4.385 1.00 0.00 N ATOM 0 H LYS A 6 -10.185 -7.763 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.909 -7.851 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.503 -9.997 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.573 -9.471 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.837 -9.217 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.557 -10.081 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.652 -12.097 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.115 -11.385 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.010 -12.113 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.362 -10.397 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.289 -11.682 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.589 -10.887 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.248 -12.550 -4.835 1.00 0.00 H new ATOM 99 N ASN A 7 -12.305 -6.057 -6.480 1.00 0.00 N ATOM 100 CA ASN A 7 -12.024 -5.050 -5.470 1.00 0.00 C ATOM 101 C ASN A 7 -12.972 -5.244 -4.284 1.00 0.00 C ATOM 102 O ASN A 7 -14.155 -5.526 -4.470 1.00 0.00 O ATOM 103 CB ASN A 7 -12.242 -3.641 -6.023 1.00 0.00 C ATOM 104 CG ASN A 7 -13.734 -3.324 -6.148 1.00 0.00 C ATOM 105 OD1 ASN A 7 -14.230 -2.642 -5.119 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -14.390 -3.676 -7.115 1.00 0.00 N flip ATOM 0 H ASN A 7 -13.247 -6.020 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.984 -5.161 -5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.766 -2.912 -5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.765 -3.552 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.945 -4.197 -7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.383 -3.449 -7.168 1.00 0.00 H new ATOM 113 N LEU A 8 -12.416 -5.087 -3.092 1.00 0.00 N ATOM 114 CA LEU A 8 -13.197 -5.241 -1.876 1.00 0.00 C ATOM 115 C LEU A 8 -14.285 -4.166 -1.834 1.00 0.00 C ATOM 116 O LEU A 8 -14.394 -3.353 -2.750 1.00 0.00 O ATOM 117 CB LEU A 8 -12.283 -5.240 -0.649 1.00 0.00 C ATOM 118 CG LEU A 8 -12.892 -5.794 0.641 1.00 0.00 C ATOM 119 CD1 LEU A 8 -11.954 -6.808 1.298 1.00 0.00 C ATOM 120 CD2 LEU A 8 -13.273 -4.662 1.597 1.00 0.00 C ATOM 0 H LEU A 8 -11.434 -4.855 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.703 -6.207 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.391 -5.820 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.958 -4.216 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.810 -6.323 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.410 -7.186 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.775 -7.636 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.007 -6.325 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.703 -5.083 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.384 -4.085 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.004 -4.011 1.117 1.00 0.00 H new ATOM 132 N SER A 9 -15.061 -4.197 -0.760 1.00 0.00 N ATOM 133 CA SER A 9 -16.136 -3.236 -0.587 1.00 0.00 C ATOM 134 C SER A 9 -15.616 -1.818 -0.837 1.00 0.00 C ATOM 135 O SER A 9 -15.601 -1.352 -1.975 1.00 0.00 O ATOM 136 CB SER A 9 -16.746 -3.337 0.813 1.00 0.00 C ATOM 137 OG SER A 9 -17.668 -2.283 1.072 1.00 0.00 O ATOM 0 H SER A 9 -14.966 -4.872 -0.002 1.00 0.00 H new ATOM 0 HA SER A 9 -16.917 -3.464 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.253 -4.296 0.919 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.950 -3.313 1.557 1.00 0.00 H new ATOM 0 HG SER A 9 -18.036 -2.385 1.975 1.00 0.00 H new ATOM 143 N ASN A 10 -15.204 -1.174 0.245 1.00 0.00 N ATOM 144 CA ASN A 10 -14.685 0.181 0.156 1.00 0.00 C ATOM 145 C ASN A 10 -13.237 0.200 0.651 1.00 0.00 C ATOM 146 O ASN A 10 -12.399 0.908 0.095 1.00 0.00 O ATOM 147 CB ASN A 10 -15.497 1.140 1.030 1.00 0.00 C ATOM 148 CG ASN A 10 -16.805 1.535 0.342 1.00 0.00 C ATOM 149 OD1 ASN A 10 -16.964 2.848 0.197 1.00 0.00 O flip ATOM 150 ND2 ASN A 10 -17.615 0.704 -0.035 1.00 0.00 N flip ATOM 0 H ASN A 10 -15.219 -1.565 1.187 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.749 0.500 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.714 0.669 1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.908 2.033 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.431 -0.289 0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.476 1.002 -0.493 1.00 0.00 H new ATOM 157 N ASN A 11 -12.989 -0.584 1.690 1.00 0.00 N ATOM 158 CA ASN A 11 -11.658 -0.665 2.265 1.00 0.00 C ATOM 159 C ASN A 11 -10.617 -0.498 1.157 1.00 0.00 C ATOM 160 O ASN A 11 -9.580 0.131 1.362 1.00 0.00 O ATOM 161 CB ASN A 11 -11.427 -2.022 2.929 1.00 0.00 C ATOM 162 CG ASN A 11 -12.701 -2.522 3.614 1.00 0.00 C ATOM 163 OD1 ASN A 11 -13.784 -1.994 3.428 1.00 0.00 O ATOM 164 ND2 ASN A 11 -12.510 -3.565 4.418 1.00 0.00 N ATOM 0 H ASN A 11 -13.688 -1.169 2.148 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.566 0.123 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.104 -2.746 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.624 -1.940 3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.298 -3.970 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.576 -3.959 4.529 1.00 0.00 H new ATOM 171 N PHE A 12 -10.929 -1.074 0.003 1.00 0.00 N ATOM 172 CA PHE A 12 -10.033 -0.997 -1.138 1.00 0.00 C ATOM 173 C PHE A 12 -10.657 -0.179 -2.270 1.00 0.00 C ATOM 174 O PHE A 12 -10.154 0.886 -2.622 1.00 0.00 O ATOM 175 CB PHE A 12 -9.805 -2.429 -1.625 1.00 0.00 C ATOM 176 CG PHE A 12 -8.713 -3.180 -0.860 1.00 0.00 C ATOM 177 CD1 PHE A 12 -7.419 -2.768 -0.945 1.00 0.00 C ATOM 178 CD2 PHE A 12 -9.035 -4.257 -0.096 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.405 -3.465 -0.235 1.00 0.00 C ATOM 180 CE2 PHE A 12 -8.021 -4.954 0.612 1.00 0.00 C ATOM 181 CZ PHE A 12 -6.727 -4.542 0.528 1.00 0.00 C ATOM 0 H PHE A 12 -11.790 -1.595 -0.165 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.101 -0.513 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.740 -2.983 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.542 -2.405 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.163 -1.912 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.062 -4.583 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.378 -3.139 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.277 -5.811 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.956 -5.071 1.068 1.00 0.00 H new ATOM 191 N GLY A 13 -11.745 -0.710 -2.810 1.00 0.00 N ATOM 192 CA GLY A 13 -12.444 -0.042 -3.896 1.00 0.00 C ATOM 193 C GLY A 13 -12.605 1.451 -3.608 1.00 0.00 C ATOM 194 O GLY A 13 -12.410 2.283 -4.494 1.00 0.00 O ATOM 0 H GLY A 13 -12.159 -1.594 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.893 -0.179 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.425 -0.497 -4.036 1.00 0.00 H new ATOM 198 N LYS A 14 -12.959 1.748 -2.367 1.00 0.00 N ATOM 199 CA LYS A 14 -13.148 3.127 -1.951 1.00 0.00 C ATOM 200 C LYS A 14 -11.785 3.816 -1.846 1.00 0.00 C ATOM 201 O LYS A 14 -11.583 4.887 -2.416 1.00 0.00 O ATOM 202 CB LYS A 14 -13.968 3.191 -0.661 1.00 0.00 C ATOM 203 CG LYS A 14 -14.371 4.631 -0.338 1.00 0.00 C ATOM 204 CD LYS A 14 -14.280 4.901 1.167 1.00 0.00 C ATOM 205 CE LYS A 14 -12.824 4.914 1.634 1.00 0.00 C ATOM 206 NZ LYS A 14 -12.750 5.146 3.094 1.00 0.00 N ATOM 0 H LYS A 14 -13.120 1.056 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.726 3.673 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.861 2.574 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.387 2.778 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.723 5.323 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.389 4.814 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.748 5.858 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.834 4.136 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.348 3.965 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.274 5.694 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.754 5.152 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.186 6.062 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.258 4.387 3.592 1.00 0.00 H new ATOM 220 N ALA A 15 -10.888 3.172 -1.116 1.00 0.00 N ATOM 221 CA ALA A 15 -9.551 3.708 -0.929 1.00 0.00 C ATOM 222 C ALA A 15 -8.911 3.957 -2.297 1.00 0.00 C ATOM 223 O ALA A 15 -8.264 4.983 -2.508 1.00 0.00 O ATOM 224 CB ALA A 15 -8.729 2.747 -0.068 1.00 0.00 C ATOM 0 H ALA A 15 -11.061 2.283 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.591 4.662 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.726 3.151 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.210 2.626 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.665 1.778 -0.564 1.00 0.00 H new ATOM 230 N MET A 16 -9.112 3.000 -3.191 1.00 0.00 N ATOM 231 CA MET A 16 -8.563 3.102 -4.533 1.00 0.00 C ATOM 232 C MET A 16 -9.229 4.236 -5.314 1.00 0.00 C ATOM 233 O MET A 16 -8.554 5.018 -5.979 1.00 0.00 O ATOM 234 CB MET A 16 -8.773 1.780 -5.272 1.00 0.00 C ATOM 235 CG MET A 16 -7.453 1.250 -5.836 1.00 0.00 C ATOM 236 SD MET A 16 -7.219 -0.451 -5.347 1.00 0.00 S ATOM 237 CE MET A 16 -7.539 -0.316 -3.596 1.00 0.00 C ATOM 0 H MET A 16 -9.647 2.150 -3.013 1.00 0.00 H new ATOM 0 HA MET A 16 -7.498 3.319 -4.454 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.204 1.044 -4.593 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.488 1.922 -6.083 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.455 1.327 -6.923 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.624 1.858 -5.475 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.857 -0.968 -3.050 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.388 0.715 -3.277 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.568 -0.612 -3.390 1.00 0.00 H new ATOM 247 N ASP A 17 -10.550 4.289 -5.207 1.00 0.00 N ATOM 248 CA ASP A 17 -11.316 5.314 -5.894 1.00 0.00 C ATOM 249 C ASP A 17 -10.981 6.682 -5.297 1.00 0.00 C ATOM 250 O ASP A 17 -10.900 7.675 -6.018 1.00 0.00 O ATOM 251 CB ASP A 17 -12.818 5.081 -5.731 1.00 0.00 C ATOM 252 CG ASP A 17 -13.712 6.154 -6.356 1.00 0.00 C ATOM 253 OD1 ASP A 17 -13.755 7.263 -5.780 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.331 5.843 -7.396 1.00 0.00 O ATOM 0 H ASP A 17 -11.108 3.638 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.058 5.275 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.071 4.117 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.046 5.014 -4.667 1.00 0.00 H new ATOM 259 N GLN A 18 -10.797 6.690 -3.986 1.00 0.00 N ATOM 260 CA GLN A 18 -10.473 7.920 -3.282 1.00 0.00 C ATOM 261 C GLN A 18 -9.038 8.349 -3.596 1.00 0.00 C ATOM 262 O GLN A 18 -8.769 9.533 -3.791 1.00 0.00 O ATOM 263 CB GLN A 18 -10.680 7.760 -1.775 1.00 0.00 C ATOM 264 CG GLN A 18 -12.076 8.230 -1.360 1.00 0.00 C ATOM 265 CD GLN A 18 -12.169 8.400 0.158 1.00 0.00 C ATOM 266 OE1 GLN A 18 -11.177 8.512 0.857 1.00 0.00 O ATOM 267 NE2 GLN A 18 -13.415 8.414 0.624 1.00 0.00 N ATOM 0 H GLN A 18 -10.866 5.864 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.149 8.702 -3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.546 6.715 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.925 8.333 -1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.306 9.176 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.821 7.508 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.201 8.315 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.584 8.524 1.624 1.00 0.00 H new ATOM 276 N CYS A 19 -8.156 7.362 -3.637 1.00 0.00 N ATOM 277 CA CYS A 19 -6.755 7.622 -3.923 1.00 0.00 C ATOM 278 C CYS A 19 -6.647 8.145 -5.359 1.00 0.00 C ATOM 279 O CYS A 19 -5.808 8.994 -5.652 1.00 0.00 O ATOM 280 CB CYS A 19 -5.891 6.378 -3.705 1.00 0.00 C ATOM 281 SG CYS A 19 -5.690 5.883 -1.954 1.00 0.00 S ATOM 0 H CYS A 19 -8.384 6.381 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.375 8.374 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.331 5.546 -4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.905 6.558 -4.133 1.00 0.00 H new ATOM 286 N LYS A 20 -7.511 7.615 -6.212 1.00 0.00 N ATOM 287 CA LYS A 20 -7.525 8.018 -7.609 1.00 0.00 C ATOM 288 C LYS A 20 -7.985 9.473 -7.711 1.00 0.00 C ATOM 289 O LYS A 20 -7.949 10.065 -8.789 1.00 0.00 O ATOM 290 CB LYS A 20 -8.366 7.047 -8.439 1.00 0.00 C ATOM 291 CG LYS A 20 -7.683 6.728 -9.771 1.00 0.00 C ATOM 292 CD LYS A 20 -8.643 6.011 -10.721 1.00 0.00 C ATOM 293 CE LYS A 20 -8.824 6.801 -12.019 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.153 7.448 -12.050 1.00 0.00 N ATOM 0 H LYS A 20 -8.206 6.911 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.520 7.971 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.524 6.126 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.349 7.479 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.330 7.650 -10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.807 6.104 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.260 5.016 -10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.609 5.878 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.043 7.557 -12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.717 6.135 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.260 7.980 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.894 6.721 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.241 8.099 -11.244 1.00 0.00 H new ATOM 308 N ASP A 21 -8.409 10.009 -6.575 1.00 0.00 N ATOM 309 CA ASP A 21 -8.876 11.383 -6.523 1.00 0.00 C ATOM 310 C ASP A 21 -7.876 12.228 -5.731 1.00 0.00 C ATOM 311 O ASP A 21 -7.204 13.091 -6.293 1.00 0.00 O ATOM 312 CB ASP A 21 -10.233 11.477 -5.825 1.00 0.00 C ATOM 313 CG ASP A 21 -11.322 12.199 -6.622 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.205 13.436 -6.752 1.00 0.00 O ATOM 315 OD2 ASP A 21 -12.247 11.495 -7.083 1.00 0.00 O ATOM 0 H ASP A 21 -8.438 9.515 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.972 11.746 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.578 10.468 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.100 11.990 -4.873 1.00 0.00 H new ATOM 320 N GLU A 22 -7.810 11.949 -4.437 1.00 0.00 N ATOM 321 CA GLU A 22 -6.903 12.672 -3.561 1.00 0.00 C ATOM 322 C GLU A 22 -5.500 12.715 -4.168 1.00 0.00 C ATOM 323 O GLU A 22 -4.840 13.752 -4.142 1.00 0.00 O ATOM 324 CB GLU A 22 -6.877 12.049 -2.164 1.00 0.00 C ATOM 325 CG GLU A 22 -6.635 10.540 -2.242 1.00 0.00 C ATOM 326 CD GLU A 22 -7.541 9.788 -1.262 1.00 0.00 C ATOM 327 OE1 GLU A 22 -8.111 10.468 -0.383 1.00 0.00 O ATOM 328 OE2 GLU A 22 -7.642 8.553 -1.418 1.00 0.00 O ATOM 0 H GLU A 22 -8.370 11.233 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.265 13.695 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.093 12.516 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.822 12.244 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.822 10.190 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.591 10.323 -2.017 1.00 0.00 H new ATOM 335 N LEU A 23 -5.085 11.575 -4.701 1.00 0.00 N ATOM 336 CA LEU A 23 -3.772 11.470 -5.315 1.00 0.00 C ATOM 337 C LEU A 23 -3.907 11.627 -6.831 1.00 0.00 C ATOM 338 O LEU A 23 -2.909 11.770 -7.536 1.00 0.00 O ATOM 339 CB LEU A 23 -3.085 10.171 -4.891 1.00 0.00 C ATOM 340 CG LEU A 23 -2.821 10.010 -3.392 1.00 0.00 C ATOM 341 CD1 LEU A 23 -2.531 8.549 -3.040 1.00 0.00 C ATOM 342 CD2 LEU A 23 -1.701 10.946 -2.929 1.00 0.00 C ATOM 0 H LEU A 23 -5.635 10.716 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.124 12.275 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.698 9.334 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.133 10.098 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.724 10.297 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.347 8.462 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.388 7.932 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.652 8.210 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.533 10.812 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.785 10.714 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.987 11.980 -3.124 1.00 0.00 H new ATOM 354 N SER A 24 -5.151 11.594 -7.289 1.00 0.00 N ATOM 355 CA SER A 24 -5.429 11.730 -8.708 1.00 0.00 C ATOM 356 C SER A 24 -4.550 10.769 -9.509 1.00 0.00 C ATOM 357 O SER A 24 -4.381 10.937 -10.716 1.00 0.00 O ATOM 358 CB SER A 24 -5.206 13.171 -9.177 1.00 0.00 C ATOM 359 OG SER A 24 -6.360 13.982 -8.978 1.00 0.00 O ATOM 0 H SER A 24 -5.977 11.475 -6.702 1.00 0.00 H new ATOM 0 HA SER A 24 -6.476 11.479 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.363 13.602 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.941 13.171 -10.234 1.00 0.00 H new ATOM 0 HG SER A 24 -6.743 13.795 -8.096 1.00 0.00 H new ATOM 365 N LEU A 25 -4.014 9.782 -8.806 1.00 0.00 N ATOM 366 CA LEU A 25 -3.157 8.793 -9.436 1.00 0.00 C ATOM 367 C LEU A 25 -4.022 7.684 -10.038 1.00 0.00 C ATOM 368 O LEU A 25 -5.217 7.601 -9.756 1.00 0.00 O ATOM 369 CB LEU A 25 -2.106 8.285 -8.446 1.00 0.00 C ATOM 370 CG LEU A 25 -2.537 7.123 -7.550 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.013 7.247 -7.162 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.227 5.777 -8.209 1.00 0.00 C ATOM 0 H LEU A 25 -4.157 9.646 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.597 9.242 -10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.225 7.977 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.803 9.116 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.958 7.170 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.293 6.408 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.170 8.181 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.628 7.240 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.544 4.968 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.761 5.704 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.155 5.699 -8.390 1.00 0.00 H new ATOM 384 N PRO A 26 -3.369 6.837 -10.879 1.00 0.00 N ATOM 385 CA PRO A 26 -4.065 5.737 -11.523 1.00 0.00 C ATOM 386 C PRO A 26 -4.332 4.603 -10.532 1.00 0.00 C ATOM 387 O PRO A 26 -3.399 4.042 -9.959 1.00 0.00 O ATOM 388 CB PRO A 26 -3.164 5.322 -12.673 1.00 0.00 C ATOM 389 CG PRO A 26 -1.791 5.888 -12.354 1.00 0.00 C ATOM 390 CD PRO A 26 -1.956 6.905 -11.237 1.00 0.00 C ATOM 0 HA PRO A 26 -5.052 6.020 -11.890 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.126 4.237 -12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.536 5.712 -13.621 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.111 5.092 -12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.357 6.357 -13.237 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.320 6.664 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.679 7.906 -11.569 1.00 0.00 H new ATOM 398 N ASP A 27 -5.610 4.296 -10.361 1.00 0.00 N ATOM 399 CA ASP A 27 -6.011 3.239 -9.450 1.00 0.00 C ATOM 400 C ASP A 27 -5.559 1.890 -10.011 1.00 0.00 C ATOM 401 O ASP A 27 -5.771 0.850 -9.387 1.00 0.00 O ATOM 402 CB ASP A 27 -7.532 3.198 -9.288 1.00 0.00 C ATOM 403 CG ASP A 27 -8.299 2.687 -10.510 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.682 2.660 -11.596 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.485 2.337 -10.330 1.00 0.00 O ATOM 0 H ASP A 27 -6.381 4.762 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.551 3.436 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.774 2.565 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.884 4.202 -9.050 1.00 0.00 H new ATOM 410 N SER A 28 -4.945 1.948 -11.184 1.00 0.00 N ATOM 411 CA SER A 28 -4.461 0.744 -11.836 1.00 0.00 C ATOM 412 C SER A 28 -3.096 0.352 -11.266 1.00 0.00 C ATOM 413 O SER A 28 -2.822 -0.828 -11.057 1.00 0.00 O ATOM 414 CB SER A 28 -4.369 0.936 -13.351 1.00 0.00 C ATOM 415 OG SER A 28 -3.706 2.149 -13.695 1.00 0.00 O ATOM 0 H SER A 28 -4.772 2.811 -11.700 1.00 0.00 H new ATOM 0 HA SER A 28 -5.172 -0.059 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.836 0.094 -13.792 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.372 0.937 -13.778 1.00 0.00 H new ATOM 0 HG SER A 28 -3.666 2.235 -14.670 1.00 0.00 H new ATOM 421 N VAL A 29 -2.275 1.365 -11.034 1.00 0.00 N ATOM 422 CA VAL A 29 -0.945 1.143 -10.492 1.00 0.00 C ATOM 423 C VAL A 29 -1.062 0.564 -9.082 1.00 0.00 C ATOM 424 O VAL A 29 -0.265 -0.285 -8.686 1.00 0.00 O ATOM 425 CB VAL A 29 -0.135 2.441 -10.541 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.038 2.973 -11.972 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.731 3.492 -9.604 1.00 0.00 C ATOM 0 H VAL A 29 -2.505 2.343 -11.212 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.404 0.416 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 29 0.876 2.220 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.542 3.896 -11.979 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.452 2.232 -12.603 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.039 3.171 -12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.138 4.405 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.756 3.708 -9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.724 3.114 -8.582 1.00 0.00 H new ATOM 437 N VAL A 30 -2.065 1.046 -8.361 1.00 0.00 N ATOM 438 CA VAL A 30 -2.298 0.588 -7.002 1.00 0.00 C ATOM 439 C VAL A 30 -2.974 -0.785 -7.040 1.00 0.00 C ATOM 440 O VAL A 30 -2.755 -1.613 -6.159 1.00 0.00 O ATOM 441 CB VAL A 30 -3.106 1.631 -6.229 1.00 0.00 C ATOM 442 CG1 VAL A 30 -4.564 1.650 -6.694 1.00 0.00 C ATOM 443 CG2 VAL A 30 -3.016 1.389 -4.721 1.00 0.00 C ATOM 0 H VAL A 30 -2.725 1.749 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.353 0.471 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.674 2.610 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.117 2.400 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.604 1.894 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.011 0.670 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.600 2.145 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.409 0.400 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.975 1.450 -4.404 1.00 0.00 H new ATOM 453 N ALA A 31 -3.782 -0.982 -8.071 1.00 0.00 N ATOM 454 CA ALA A 31 -4.491 -2.239 -8.237 1.00 0.00 C ATOM 455 C ALA A 31 -3.491 -3.341 -8.587 1.00 0.00 C ATOM 456 O ALA A 31 -3.797 -4.526 -8.461 1.00 0.00 O ATOM 457 CB ALA A 31 -5.578 -2.077 -9.301 1.00 0.00 C ATOM 0 H ALA A 31 -3.962 -0.292 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.985 -2.526 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.109 -3.021 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.280 -1.303 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.120 -1.791 -10.248 1.00 0.00 H new ATOM 463 N ASP A 32 -2.315 -2.913 -9.022 1.00 0.00 N ATOM 464 CA ASP A 32 -1.267 -3.849 -9.394 1.00 0.00 C ATOM 465 C ASP A 32 -0.646 -4.441 -8.126 1.00 0.00 C ATOM 466 O ASP A 32 -0.012 -5.493 -8.175 1.00 0.00 O ATOM 467 CB ASP A 32 -0.158 -3.152 -10.183 1.00 0.00 C ATOM 468 CG ASP A 32 0.854 -4.088 -10.843 1.00 0.00 C ATOM 469 OD1 ASP A 32 0.599 -5.312 -10.812 1.00 0.00 O ATOM 470 OD2 ASP A 32 1.859 -3.560 -11.367 1.00 0.00 O ATOM 0 H ASP A 32 -2.064 -1.930 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.714 -4.627 -10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.616 -2.534 -10.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.376 -2.479 -9.512 1.00 0.00 H new ATOM 475 N LEU A 33 -0.849 -3.737 -7.022 1.00 0.00 N ATOM 476 CA LEU A 33 -0.317 -4.179 -5.745 1.00 0.00 C ATOM 477 C LEU A 33 -0.883 -5.561 -5.411 1.00 0.00 C ATOM 478 O LEU A 33 -0.135 -6.482 -5.090 1.00 0.00 O ATOM 479 CB LEU A 33 -0.579 -3.130 -4.663 1.00 0.00 C ATOM 480 CG LEU A 33 0.200 -1.820 -4.796 1.00 0.00 C ATOM 481 CD1 LEU A 33 0.488 -1.501 -6.264 1.00 0.00 C ATOM 482 CD2 LEU A 33 -0.531 -0.673 -4.094 1.00 0.00 C ATOM 0 H LEU A 33 -1.375 -2.864 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 33 0.767 -4.283 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.644 -2.898 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.347 -3.571 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 33 1.161 -1.942 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.043 -0.565 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.079 -2.305 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.452 -1.405 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.044 0.246 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.516 -0.541 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.643 -0.907 -3.035 1.00 0.00 H new ATOM 494 N TYR A 34 -2.201 -5.662 -5.500 1.00 0.00 N ATOM 495 CA TYR A 34 -2.877 -6.916 -5.212 1.00 0.00 C ATOM 496 C TYR A 34 -2.321 -8.049 -6.074 1.00 0.00 C ATOM 497 O TYR A 34 -2.462 -9.223 -5.732 1.00 0.00 O ATOM 498 CB TYR A 34 -4.348 -6.694 -5.567 1.00 0.00 C ATOM 499 CG TYR A 34 -5.294 -6.735 -4.363 1.00 0.00 C ATOM 500 CD1 TYR A 34 -5.082 -7.651 -3.352 1.00 0.00 C ATOM 501 CD2 TYR A 34 -6.356 -5.858 -4.289 1.00 0.00 C ATOM 502 CE1 TYR A 34 -5.971 -7.691 -2.221 1.00 0.00 C ATOM 503 CE2 TYR A 34 -7.245 -5.897 -3.157 1.00 0.00 C ATOM 504 CZ TYR A 34 -7.008 -6.813 -2.179 1.00 0.00 C ATOM 505 OH TYR A 34 -7.848 -6.851 -1.110 1.00 0.00 O ATOM 0 H TYR A 34 -2.819 -4.896 -5.767 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.737 -7.196 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.449 -5.729 -6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.657 -7.455 -6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.250 -8.337 -3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.521 -5.142 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.818 -8.403 -1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.080 -5.216 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.709 -6.054 -0.556 1.00 0.00 H new ATOM 515 N ASN A 35 -1.702 -7.659 -7.179 1.00 0.00 N ATOM 516 CA ASN A 35 -1.123 -8.628 -8.095 1.00 0.00 C ATOM 517 C ASN A 35 0.216 -9.115 -7.537 1.00 0.00 C ATOM 518 O ASN A 35 0.322 -10.247 -7.068 1.00 0.00 O ATOM 519 CB ASN A 35 -0.865 -8.003 -9.467 1.00 0.00 C ATOM 520 CG ASN A 35 -1.673 -8.715 -10.554 1.00 0.00 C ATOM 521 OD1 ASN A 35 -2.250 -9.770 -10.345 1.00 0.00 O ATOM 522 ND2 ASN A 35 -1.681 -8.081 -11.724 1.00 0.00 N ATOM 0 H ASN A 35 -1.589 -6.685 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.827 -9.453 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.130 -6.946 -9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.198 -8.060 -9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.192 -8.475 -12.514 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.177 -7.201 -11.831 1.00 0.00 H new ATOM 529 N PHE A 36 1.204 -8.236 -7.606 1.00 0.00 N ATOM 530 CA PHE A 36 2.532 -8.561 -7.115 1.00 0.00 C ATOM 531 C PHE A 36 3.532 -7.457 -7.464 1.00 0.00 C ATOM 532 O PHE A 36 4.628 -7.736 -7.947 1.00 0.00 O ATOM 533 CB PHE A 36 2.959 -9.857 -7.807 1.00 0.00 C ATOM 534 CG PHE A 36 2.629 -9.904 -9.300 1.00 0.00 C ATOM 535 CD1 PHE A 36 3.439 -9.279 -10.196 1.00 0.00 C ATOM 536 CD2 PHE A 36 1.524 -10.570 -9.731 1.00 0.00 C ATOM 537 CE1 PHE A 36 3.131 -9.323 -11.581 1.00 0.00 C ATOM 538 CE2 PHE A 36 1.217 -10.613 -11.116 1.00 0.00 C ATOM 539 CZ PHE A 36 2.027 -9.988 -12.013 1.00 0.00 C ATOM 0 H PHE A 36 1.111 -7.298 -7.995 1.00 0.00 H new ATOM 0 HA PHE A 36 2.512 -8.666 -6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.033 -9.988 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.474 -10.698 -7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.316 -8.750 -9.854 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.880 -11.066 -9.019 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.775 -8.827 -12.293 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.340 -11.142 -11.458 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.793 -10.020 -13.067 1.00 0.00 H new ATOM 549 N TRP A 37 3.119 -6.225 -7.204 1.00 0.00 N ATOM 550 CA TRP A 37 3.965 -5.077 -7.484 1.00 0.00 C ATOM 551 C TRP A 37 4.803 -4.792 -6.236 1.00 0.00 C ATOM 552 O TRP A 37 5.412 -3.729 -6.123 1.00 0.00 O ATOM 553 CB TRP A 37 3.129 -3.877 -7.930 1.00 0.00 C ATOM 554 CG TRP A 37 3.258 -2.655 -7.018 1.00 0.00 C ATOM 555 CD1 TRP A 37 3.512 -1.386 -7.368 1.00 0.00 C ATOM 556 CD2 TRP A 37 3.127 -2.637 -5.581 1.00 0.00 C ATOM 557 NE1 TRP A 37 3.556 -0.556 -6.266 1.00 0.00 N ATOM 558 CE2 TRP A 37 3.315 -1.341 -5.144 1.00 0.00 C ATOM 559 CE3 TRP A 37 2.862 -3.682 -4.678 1.00 0.00 C ATOM 560 CZ2 TRP A 37 3.255 -0.969 -3.796 1.00 0.00 C ATOM 561 CZ3 TRP A 37 2.806 -3.294 -3.333 1.00 0.00 C ATOM 562 CH2 TRP A 37 2.992 -1.994 -2.880 1.00 0.00 C ATOM 0 H TRP A 37 2.210 -5.997 -6.802 1.00 0.00 H new ATOM 0 HA TRP A 37 4.639 -5.287 -8.315 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.425 -3.596 -8.941 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.081 -4.174 -7.976 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.663 -1.055 -8.385 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.733 0.449 -6.273 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.713 -4.703 -4.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.404 0.053 -3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.604 -4.059 -2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.934 -1.775 -1.824 1.00 0.00 H new ATOM 573 N LYS A 38 4.806 -5.760 -5.330 1.00 0.00 N ATOM 574 CA LYS A 38 5.559 -5.626 -4.095 1.00 0.00 C ATOM 575 C LYS A 38 6.940 -5.041 -4.405 1.00 0.00 C ATOM 576 O LYS A 38 7.323 -4.016 -3.845 1.00 0.00 O ATOM 577 CB LYS A 38 5.611 -6.962 -3.352 1.00 0.00 C ATOM 578 CG LYS A 38 4.376 -7.144 -2.467 1.00 0.00 C ATOM 579 CD LYS A 38 4.388 -8.513 -1.783 1.00 0.00 C ATOM 580 CE LYS A 38 2.980 -9.108 -1.722 1.00 0.00 C ATOM 581 NZ LYS A 38 2.561 -9.585 -3.059 1.00 0.00 N ATOM 0 H LYS A 38 4.299 -6.640 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 38 5.062 -4.930 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.672 -7.780 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.512 -7.007 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.345 -6.357 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.474 -7.043 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.049 -9.189 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.790 -8.416 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.958 -9.934 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.277 -8.358 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.742 -10.218 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.301 -8.771 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.346 -10.102 -3.505 1.00 0.00 H new ATOM 595 N ASP A 39 7.648 -5.720 -5.296 1.00 0.00 N ATOM 596 CA ASP A 39 8.976 -5.280 -5.687 1.00 0.00 C ATOM 597 C ASP A 39 8.876 -3.920 -6.380 1.00 0.00 C ATOM 598 O ASP A 39 9.784 -3.098 -6.275 1.00 0.00 O ATOM 599 CB ASP A 39 9.614 -6.265 -6.670 1.00 0.00 C ATOM 600 CG ASP A 39 9.223 -6.061 -8.134 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.736 -5.091 -8.730 1.00 0.00 O ATOM 602 OD2 ASP A 39 8.419 -6.883 -8.626 1.00 0.00 O ATOM 0 H ASP A 39 7.327 -6.571 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 39 9.589 -5.218 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.698 -6.189 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.341 -7.278 -6.374 1.00 0.00 H new ATOM 607 N ASP A 40 7.763 -3.724 -7.071 1.00 0.00 N ATOM 608 CA ASP A 40 7.532 -2.477 -7.781 1.00 0.00 C ATOM 609 C ASP A 40 7.291 -1.356 -6.768 1.00 0.00 C ATOM 610 O ASP A 40 6.235 -0.726 -6.774 1.00 0.00 O ATOM 611 CB ASP A 40 6.298 -2.575 -8.680 1.00 0.00 C ATOM 612 CG ASP A 40 6.033 -1.344 -9.550 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.412 -0.241 -9.102 1.00 0.00 O ATOM 614 OD2 ASP A 40 5.457 -1.537 -10.643 1.00 0.00 O ATOM 0 H ASP A 40 7.011 -4.408 -7.155 1.00 0.00 H new ATOM 0 HA ASP A 40 8.409 -2.271 -8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.408 -3.444 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.424 -2.754 -8.054 1.00 0.00 H new ATOM 619 N TYR A 41 8.288 -1.143 -5.922 1.00 0.00 N ATOM 620 CA TYR A 41 8.198 -0.109 -4.904 1.00 0.00 C ATOM 621 C TYR A 41 8.084 1.277 -5.541 1.00 0.00 C ATOM 622 O TYR A 41 8.211 1.419 -6.755 1.00 0.00 O ATOM 623 CB TYR A 41 9.504 -0.186 -4.109 1.00 0.00 C ATOM 624 CG TYR A 41 10.697 -0.689 -4.920 1.00 0.00 C ATOM 625 CD1 TYR A 41 10.916 -0.212 -6.198 1.00 0.00 C ATOM 626 CD2 TYR A 41 11.560 -1.619 -4.376 1.00 0.00 C ATOM 627 CE1 TYR A 41 12.041 -0.685 -6.961 1.00 0.00 C ATOM 628 CE2 TYR A 41 12.684 -2.092 -5.140 1.00 0.00 C ATOM 629 CZ TYR A 41 12.869 -1.602 -6.395 1.00 0.00 C ATOM 630 OH TYR A 41 13.932 -2.049 -7.116 1.00 0.00 O ATOM 0 H TYR A 41 9.162 -1.668 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 41 7.318 -0.260 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.737 0.804 -3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.357 -0.843 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.242 0.516 -6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.392 -1.992 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.223 -0.319 -7.961 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.366 -2.820 -4.726 1.00 0.00 H new ATOM 0 HH TYR A 41 14.437 -2.700 -6.585 1.00 0.00 H new ATOM 640 N VAL A 42 7.844 2.265 -4.690 1.00 0.00 N ATOM 641 CA VAL A 42 7.710 3.635 -5.154 1.00 0.00 C ATOM 642 C VAL A 42 8.772 3.914 -6.221 1.00 0.00 C ATOM 643 O VAL A 42 8.520 4.650 -7.174 1.00 0.00 O ATOM 644 CB VAL A 42 7.787 4.599 -3.968 1.00 0.00 C ATOM 645 CG1 VAL A 42 8.106 6.021 -4.437 1.00 0.00 C ATOM 646 CG2 VAL A 42 6.492 4.569 -3.154 1.00 0.00 C ATOM 0 H VAL A 42 7.739 2.143 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 42 6.735 3.788 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 42 8.599 4.270 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.155 6.686 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.065 6.027 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.325 6.364 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.572 5.263 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.656 4.862 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.324 3.561 -2.775 1.00 0.00 H new ATOM 656 N MET A 43 9.934 3.311 -6.023 1.00 0.00 N ATOM 657 CA MET A 43 11.035 3.486 -6.956 1.00 0.00 C ATOM 658 C MET A 43 10.531 3.519 -8.400 1.00 0.00 C ATOM 659 O MET A 43 11.151 4.139 -9.263 1.00 0.00 O ATOM 660 CB MET A 43 12.032 2.337 -6.789 1.00 0.00 C ATOM 661 CG MET A 43 13.472 2.835 -6.930 1.00 0.00 C ATOM 662 SD MET A 43 14.217 2.143 -8.398 1.00 0.00 S ATOM 663 CE MET A 43 15.128 3.562 -8.981 1.00 0.00 C ATOM 0 H MET A 43 10.138 2.701 -5.231 1.00 0.00 H new ATOM 0 HA MET A 43 11.522 4.437 -6.740 1.00 0.00 H new ATOM 0 HB2 MET A 43 11.898 1.874 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.835 1.568 -7.536 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.485 3.924 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.051 2.552 -6.051 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.768 3.844 -9.970 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.985 4.394 -8.292 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.188 3.316 -9.038 1.00 0.00 H new ATOM 673 N THR A 44 9.410 2.846 -8.618 1.00 0.00 N ATOM 674 CA THR A 44 8.815 2.793 -9.942 1.00 0.00 C ATOM 675 C THR A 44 7.522 3.610 -9.979 1.00 0.00 C ATOM 676 O THR A 44 7.332 4.436 -10.870 1.00 0.00 O ATOM 677 CB THR A 44 8.615 1.321 -10.309 1.00 0.00 C ATOM 678 OG1 THR A 44 9.859 0.936 -10.889 1.00 0.00 O ATOM 679 CG2 THR A 44 7.602 1.133 -11.442 1.00 0.00 C ATOM 0 H THR A 44 8.899 2.333 -7.900 1.00 0.00 H new ATOM 0 HA THR A 44 9.468 3.245 -10.689 1.00 0.00 H new ATOM 0 HB THR A 44 8.283 0.769 -9.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.818 -0.006 -11.155 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.497 0.071 -11.664 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.637 1.537 -11.138 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.950 1.657 -12.332 1.00 0.00 H new ATOM 687 N ASP A 45 6.667 3.349 -9.001 1.00 0.00 N ATOM 688 CA ASP A 45 5.397 4.051 -8.911 1.00 0.00 C ATOM 689 C ASP A 45 5.180 4.519 -7.471 1.00 0.00 C ATOM 690 O ASP A 45 4.748 3.743 -6.620 1.00 0.00 O ATOM 691 CB ASP A 45 4.233 3.133 -9.290 1.00 0.00 C ATOM 692 CG ASP A 45 3.083 3.818 -10.030 1.00 0.00 C ATOM 693 OD1 ASP A 45 3.159 3.868 -11.277 1.00 0.00 O ATOM 694 OD2 ASP A 45 2.153 4.279 -9.332 1.00 0.00 O ATOM 0 H ASP A 45 6.828 2.662 -8.265 1.00 0.00 H new ATOM 0 HA ASP A 45 5.429 4.896 -9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.616 2.325 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.840 2.676 -8.382 1.00 0.00 H new ATOM 699 N ARG A 46 5.489 5.787 -7.243 1.00 0.00 N ATOM 700 CA ARG A 46 5.331 6.369 -5.921 1.00 0.00 C ATOM 701 C ARG A 46 3.851 6.426 -5.537 1.00 0.00 C ATOM 702 O ARG A 46 3.487 6.110 -4.406 1.00 0.00 O ATOM 703 CB ARG A 46 5.920 7.780 -5.866 1.00 0.00 C ATOM 704 CG ARG A 46 5.462 8.519 -4.608 1.00 0.00 C ATOM 705 CD ARG A 46 4.570 9.709 -4.963 1.00 0.00 C ATOM 706 NE ARG A 46 5.113 10.947 -4.362 1.00 0.00 N ATOM 707 CZ ARG A 46 6.344 11.421 -4.600 1.00 0.00 C ATOM 708 NH1 ARG A 46 7.165 10.763 -5.432 1.00 0.00 N ATOM 709 NH2 ARG A 46 6.753 12.552 -4.011 1.00 0.00 N ATOM 0 H ARG A 46 5.848 6.427 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 46 5.868 5.735 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.008 7.724 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.616 8.339 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.918 7.834 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.331 8.866 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.509 9.817 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.556 9.534 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 46 4.513 11.473 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.852 9.903 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.102 11.123 -5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.128 13.054 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.690 12.912 -4.193 1.00 0.00 H new ATOM 723 N LEU A 47 3.039 6.833 -6.502 1.00 0.00 N ATOM 724 CA LEU A 47 1.606 6.934 -6.280 1.00 0.00 C ATOM 725 C LEU A 47 1.109 5.661 -5.592 1.00 0.00 C ATOM 726 O LEU A 47 0.311 5.727 -4.659 1.00 0.00 O ATOM 727 CB LEU A 47 0.882 7.249 -7.591 1.00 0.00 C ATOM 728 CG LEU A 47 1.546 8.294 -8.489 1.00 0.00 C ATOM 729 CD1 LEU A 47 2.243 9.371 -7.656 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.502 7.634 -9.485 1.00 0.00 C ATOM 0 H LEU A 47 3.346 7.096 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 47 1.382 7.765 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.780 6.324 -8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.126 7.590 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 47 0.767 8.789 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.707 10.101 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.511 9.871 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.009 8.910 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.960 8.399 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.279 7.096 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.948 6.936 -10.113 1.00 0.00 H new ATOM 742 N ALA A 48 1.600 4.532 -6.082 1.00 0.00 N ATOM 743 CA ALA A 48 1.215 3.246 -5.526 1.00 0.00 C ATOM 744 C ALA A 48 1.495 3.240 -4.022 1.00 0.00 C ATOM 745 O ALA A 48 0.771 2.608 -3.254 1.00 0.00 O ATOM 746 CB ALA A 48 1.959 2.129 -6.260 1.00 0.00 C ATOM 0 H ALA A 48 2.261 4.481 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 48 0.148 3.074 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.670 1.164 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.704 2.157 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.034 2.269 -6.141 1.00 0.00 H new ATOM 752 N GLY A 49 2.547 3.953 -3.645 1.00 0.00 N ATOM 753 CA GLY A 49 2.931 4.039 -2.247 1.00 0.00 C ATOM 754 C GLY A 49 1.994 4.971 -1.477 1.00 0.00 C ATOM 755 O GLY A 49 1.742 4.762 -0.290 1.00 0.00 O ATOM 0 H GLY A 49 3.145 4.476 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.910 3.046 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.956 4.403 -2.169 1.00 0.00 H new ATOM 759 N CYS A 50 1.503 5.979 -2.181 1.00 0.00 N ATOM 760 CA CYS A 50 0.600 6.944 -1.580 1.00 0.00 C ATOM 761 C CYS A 50 -0.811 6.350 -1.585 1.00 0.00 C ATOM 762 O CYS A 50 -1.540 6.465 -0.603 1.00 0.00 O ATOM 763 CB CYS A 50 0.654 8.294 -2.298 1.00 0.00 C ATOM 764 SG CYS A 50 0.579 9.753 -1.195 1.00 0.00 S ATOM 0 H CYS A 50 1.714 6.149 -3.164 1.00 0.00 H new ATOM 0 HA CYS A 50 0.906 7.141 -0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.574 8.343 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.174 8.347 -3.005 1.00 0.00 H new ATOM 769 N ALA A 51 -1.152 5.729 -2.705 1.00 0.00 N ATOM 770 CA ALA A 51 -2.461 5.118 -2.853 1.00 0.00 C ATOM 771 C ALA A 51 -2.682 4.115 -1.717 1.00 0.00 C ATOM 772 O ALA A 51 -3.724 4.130 -1.065 1.00 0.00 O ATOM 773 CB ALA A 51 -2.569 4.468 -4.233 1.00 0.00 C ATOM 0 H ALA A 51 -0.544 5.636 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.246 5.872 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.552 4.010 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.434 5.226 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.799 3.704 -4.337 1.00 0.00 H new ATOM 779 N ILE A 52 -1.683 3.267 -1.518 1.00 0.00 N ATOM 780 CA ILE A 52 -1.754 2.259 -0.473 1.00 0.00 C ATOM 781 C ILE A 52 -1.783 2.949 0.893 1.00 0.00 C ATOM 782 O ILE A 52 -2.452 2.482 1.813 1.00 0.00 O ATOM 783 CB ILE A 52 -0.618 1.247 -0.627 1.00 0.00 C ATOM 784 CG1 ILE A 52 -1.153 -0.186 -0.587 1.00 0.00 C ATOM 785 CG2 ILE A 52 0.472 1.482 0.421 1.00 0.00 C ATOM 786 CD1 ILE A 52 -1.969 -0.432 0.682 1.00 0.00 C ATOM 0 H ILE A 52 -0.820 3.257 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.676 1.684 -0.560 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.160 1.393 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.774 -0.371 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.322 -0.890 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.268 0.749 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.880 2.486 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.046 1.379 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.337 -1.458 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.339 -0.270 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.813 0.257 0.711 1.00 0.00 H new ATOM 798 N ASN A 53 -1.049 4.048 0.980 1.00 0.00 N ATOM 799 CA ASN A 53 -0.983 4.806 2.219 1.00 0.00 C ATOM 800 C ASN A 53 -2.392 5.247 2.619 1.00 0.00 C ATOM 801 O ASN A 53 -2.817 5.029 3.752 1.00 0.00 O ATOM 802 CB ASN A 53 -0.125 6.061 2.051 1.00 0.00 C ATOM 803 CG ASN A 53 1.028 6.077 3.057 1.00 0.00 C ATOM 804 OD1 ASN A 53 1.026 6.813 4.030 1.00 0.00 O ATOM 805 ND2 ASN A 53 2.009 5.226 2.771 1.00 0.00 N ATOM 0 H ASN A 53 -0.495 4.432 0.214 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.541 4.166 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.272 6.101 1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.743 6.949 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.823 5.161 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.948 4.638 1.940 1.00 0.00 H new ATOM 812 N CYS A 54 -3.078 5.860 1.666 1.00 0.00 N ATOM 813 CA CYS A 54 -4.431 6.333 1.904 1.00 0.00 C ATOM 814 C CYS A 54 -5.343 5.117 2.076 1.00 0.00 C ATOM 815 O CYS A 54 -6.390 5.207 2.716 1.00 0.00 O ATOM 816 CB CYS A 54 -4.915 7.256 0.782 1.00 0.00 C ATOM 817 SG CYS A 54 -4.410 6.745 -0.901 1.00 0.00 S ATOM 0 H CYS A 54 -2.722 6.040 0.727 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.453 6.934 2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.003 7.311 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.539 8.262 0.970 1.00 0.00 H new ATOM 822 N LEU A 55 -4.913 4.009 1.490 1.00 0.00 N ATOM 823 CA LEU A 55 -5.677 2.775 1.571 1.00 0.00 C ATOM 824 C LEU A 55 -6.016 2.485 3.035 1.00 0.00 C ATOM 825 O LEU A 55 -7.095 1.977 3.336 1.00 0.00 O ATOM 826 CB LEU A 55 -4.932 1.636 0.873 1.00 0.00 C ATOM 827 CG LEU A 55 -5.794 0.471 0.383 1.00 0.00 C ATOM 828 CD1 LEU A 55 -6.014 0.551 -1.129 1.00 0.00 C ATOM 829 CD2 LEU A 55 -5.193 -0.870 0.805 1.00 0.00 C ATOM 0 H LEU A 55 -4.046 3.940 0.957 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.623 2.877 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.395 2.049 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.183 1.243 1.561 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.773 0.547 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.630 -0.288 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.518 1.486 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.052 0.513 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.825 -1.682 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.194 -0.971 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.131 -0.915 1.892 1.00 0.00 H new ATOM 841 N ALA A 56 -5.074 2.818 3.904 1.00 0.00 N ATOM 842 CA ALA A 56 -5.259 2.597 5.328 1.00 0.00 C ATOM 843 C ALA A 56 -6.240 3.637 5.877 1.00 0.00 C ATOM 844 O ALA A 56 -6.719 3.509 7.002 1.00 0.00 O ATOM 845 CB ALA A 56 -3.902 2.648 6.033 1.00 0.00 C ATOM 0 H ALA A 56 -4.180 3.239 3.650 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.685 1.611 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.041 2.482 7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.252 1.873 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.446 3.625 5.874 1.00 0.00 H new ATOM 851 N THR A 57 -6.509 4.641 5.056 1.00 0.00 N ATOM 852 CA THR A 57 -7.424 5.701 5.445 1.00 0.00 C ATOM 853 C THR A 57 -8.237 5.280 6.670 1.00 0.00 C ATOM 854 O THR A 57 -8.174 5.928 7.715 1.00 0.00 O ATOM 855 CB THR A 57 -8.288 6.047 4.231 1.00 0.00 C ATOM 856 OG1 THR A 57 -9.455 6.643 4.795 1.00 0.00 O ATOM 857 CG2 THR A 57 -8.814 4.804 3.512 1.00 0.00 C ATOM 0 H THR A 57 -6.110 4.743 4.123 1.00 0.00 H new ATOM 0 HA THR A 57 -6.885 6.600 5.745 1.00 0.00 H new ATOM 0 HB THR A 57 -7.708 6.650 3.533 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.071 6.900 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.421 5.107 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.974 4.202 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.422 4.216 4.199 1.00 0.00 H new ATOM 865 N LYS A 58 -8.982 4.198 6.503 1.00 0.00 N ATOM 866 CA LYS A 58 -9.809 3.683 7.582 1.00 0.00 C ATOM 867 C LYS A 58 -9.244 2.342 8.054 1.00 0.00 C ATOM 868 O LYS A 58 -9.388 1.328 7.373 1.00 0.00 O ATOM 869 CB LYS A 58 -11.274 3.614 7.149 1.00 0.00 C ATOM 870 CG LYS A 58 -12.117 2.863 8.183 1.00 0.00 C ATOM 871 CD LYS A 58 -12.911 3.836 9.056 1.00 0.00 C ATOM 872 CE LYS A 58 -14.383 3.432 9.129 1.00 0.00 C ATOM 873 NZ LYS A 58 -15.199 4.284 8.236 1.00 0.00 N ATOM 0 H LYS A 58 -9.031 3.663 5.636 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.785 4.359 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.666 4.623 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.348 3.115 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.801 2.184 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.469 2.252 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.486 3.859 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.827 4.845 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.494 2.386 8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.741 3.523 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.196 3.996 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.107 5.279 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.868 4.177 7.256 1.00 0.00 H new ATOM 887 N LEU A 59 -8.610 2.381 9.219 1.00 0.00 N ATOM 888 CA LEU A 59 -8.022 1.181 9.791 1.00 0.00 C ATOM 889 C LEU A 59 -9.138 0.261 10.292 1.00 0.00 C ATOM 890 O LEU A 59 -8.935 -0.943 10.439 1.00 0.00 O ATOM 891 CB LEU A 59 -6.996 1.547 10.865 1.00 0.00 C ATOM 892 CG LEU A 59 -6.196 2.827 10.619 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.155 3.042 11.720 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.564 2.820 9.226 1.00 0.00 C ATOM 0 H LEU A 59 -8.491 3.224 9.781 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.469 0.627 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.516 1.645 11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.295 0.718 10.968 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.883 3.672 10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.600 3.959 11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.657 3.123 12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.466 2.197 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.001 3.741 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.893 1.966 9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.347 2.748 8.471 1.00 0.00 H new ATOM 906 N ASP A 60 -10.291 0.864 10.540 1.00 0.00 N ATOM 907 CA ASP A 60 -11.439 0.114 11.023 1.00 0.00 C ATOM 908 C ASP A 60 -11.838 -0.928 9.976 1.00 0.00 C ATOM 909 O ASP A 60 -12.275 -2.025 10.322 1.00 0.00 O ATOM 910 CB ASP A 60 -12.639 1.034 11.256 1.00 0.00 C ATOM 911 CG ASP A 60 -13.506 0.671 12.464 1.00 0.00 C ATOM 912 OD1 ASP A 60 -13.185 1.172 13.563 1.00 0.00 O ATOM 913 OD2 ASP A 60 -14.470 -0.097 12.259 1.00 0.00 O ATOM 0 H ASP A 60 -10.456 1.863 10.416 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.161 -0.361 11.964 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.277 2.054 11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.264 1.025 10.363 1.00 0.00 H new ATOM 918 N VAL A 61 -11.675 -0.549 8.717 1.00 0.00 N ATOM 919 CA VAL A 61 -12.013 -1.436 7.618 1.00 0.00 C ATOM 920 C VAL A 61 -10.828 -2.362 7.332 1.00 0.00 C ATOM 921 O VAL A 61 -11.015 -3.542 7.039 1.00 0.00 O ATOM 922 CB VAL A 61 -12.440 -0.619 6.397 1.00 0.00 C ATOM 923 CG1 VAL A 61 -13.741 0.138 6.672 1.00 0.00 C ATOM 924 CG2 VAL A 61 -11.330 0.341 5.964 1.00 0.00 C ATOM 0 H VAL A 61 -11.313 0.362 8.434 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.862 -2.066 7.884 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.622 -1.313 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.022 0.711 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.532 -0.573 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.597 0.816 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.659 0.909 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.103 1.026 6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.436 -0.228 5.708 1.00 0.00 H new ATOM 934 N VAL A 62 -9.636 -1.792 7.429 1.00 0.00 N ATOM 935 CA VAL A 62 -8.421 -2.552 7.187 1.00 0.00 C ATOM 936 C VAL A 62 -8.252 -3.600 8.288 1.00 0.00 C ATOM 937 O VAL A 62 -7.945 -4.757 8.005 1.00 0.00 O ATOM 938 CB VAL A 62 -7.227 -1.604 7.073 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.019 -2.152 7.837 1.00 0.00 C ATOM 940 CG2 VAL A 62 -6.874 -1.339 5.608 1.00 0.00 C ATOM 0 H VAL A 62 -9.485 -0.813 7.672 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.486 -3.086 6.239 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.509 -0.654 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.183 -1.460 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.276 -2.266 8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.737 -3.121 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.021 -0.662 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.621 -2.280 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.728 -0.887 5.104 1.00 0.00 H new ATOM 950 N ASP A 63 -8.459 -3.157 9.519 1.00 0.00 N ATOM 951 CA ASP A 63 -8.332 -4.044 10.664 1.00 0.00 C ATOM 952 C ASP A 63 -9.622 -3.998 11.484 1.00 0.00 C ATOM 953 O ASP A 63 -9.887 -3.018 12.178 1.00 0.00 O ATOM 954 CB ASP A 63 -7.180 -3.608 11.571 1.00 0.00 C ATOM 955 CG ASP A 63 -7.031 -2.097 11.749 1.00 0.00 C ATOM 956 OD1 ASP A 63 -7.854 -1.528 12.499 1.00 0.00 O ATOM 957 OD2 ASP A 63 -6.098 -1.541 11.128 1.00 0.00 O ATOM 0 H ASP A 63 -8.714 -2.196 9.749 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.139 -5.050 10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.319 -4.062 12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.249 -4.004 11.166 1.00 0.00 H new ATOM 962 N PRO A 64 -10.413 -5.099 11.373 1.00 0.00 N ATOM 963 CA PRO A 64 -11.670 -5.195 12.096 1.00 0.00 C ATOM 964 C PRO A 64 -11.428 -5.475 13.581 1.00 0.00 C ATOM 965 O PRO A 64 -12.082 -4.886 14.441 1.00 0.00 O ATOM 966 CB PRO A 64 -12.440 -6.305 11.400 1.00 0.00 C ATOM 967 CG PRO A 64 -11.410 -7.100 10.616 1.00 0.00 C ATOM 968 CD PRO A 64 -10.131 -6.279 10.560 1.00 0.00 C ATOM 0 HA PRO A 64 -12.237 -4.264 12.080 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.953 -6.938 12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.203 -5.895 10.738 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.225 -8.062 11.094 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.774 -7.309 9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.283 -6.839 10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.882 -6.004 9.535 1.00 0.00 H new ATOM 976 N ASP A 65 -10.488 -6.372 13.837 1.00 0.00 N ATOM 977 CA ASP A 65 -10.153 -6.736 15.202 1.00 0.00 C ATOM 978 C ASP A 65 -8.758 -6.206 15.539 1.00 0.00 C ATOM 979 O ASP A 65 -8.234 -6.469 16.620 1.00 0.00 O ATOM 980 CB ASP A 65 -10.136 -8.256 15.378 1.00 0.00 C ATOM 981 CG ASP A 65 -10.602 -8.753 16.748 1.00 0.00 C ATOM 982 OD1 ASP A 65 -10.384 -8.006 17.727 1.00 0.00 O ATOM 983 OD2 ASP A 65 -11.164 -9.869 16.786 1.00 0.00 O ATOM 0 H ASP A 65 -9.947 -6.858 13.121 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.907 -6.305 15.861 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.769 -8.703 14.611 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.122 -8.616 15.203 1.00 0.00 H new ATOM 988 N GLY A 66 -8.195 -5.470 14.592 1.00 0.00 N ATOM 989 CA GLY A 66 -6.871 -4.900 14.775 1.00 0.00 C ATOM 990 C GLY A 66 -5.805 -5.764 14.098 1.00 0.00 C ATOM 991 O GLY A 66 -4.777 -6.074 14.699 1.00 0.00 O ATOM 0 H GLY A 66 -8.632 -5.255 13.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.844 -3.892 14.361 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.652 -4.813 15.839 1.00 0.00 H new ATOM 995 N ASN A 67 -6.085 -6.129 12.856 1.00 0.00 N ATOM 996 CA ASN A 67 -5.163 -6.951 12.090 1.00 0.00 C ATOM 997 C ASN A 67 -3.775 -6.308 12.111 1.00 0.00 C ATOM 998 O ASN A 67 -2.765 -7.004 12.183 1.00 0.00 O ATOM 999 CB ASN A 67 -5.608 -7.067 10.631 1.00 0.00 C ATOM 1000 CG ASN A 67 -4.638 -7.934 9.828 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -3.488 -7.332 9.537 1.00 0.00 O flip ATOM 1002 ND2 ASN A 67 -4.913 -9.074 9.495 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.938 -5.871 12.360 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.143 -7.943 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.608 -7.497 10.586 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.668 -6.074 10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.814 -9.477 9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.242 -9.625 8.960 1.00 0.00 H new ATOM 1009 N LEU A 68 -3.771 -4.984 12.048 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.524 -4.238 12.059 1.00 0.00 C ATOM 1011 C LEU A 68 -2.830 -2.741 12.126 1.00 0.00 C ATOM 1012 O LEU A 68 -3.985 -2.347 12.287 1.00 0.00 O ATOM 1013 CB LEU A 68 -1.652 -4.634 10.865 1.00 0.00 C ATOM 1014 CG LEU A 68 -1.921 -3.881 9.559 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.247 -3.121 9.629 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -0.750 -2.962 9.206 1.00 0.00 C ATOM 0 H LEU A 68 -4.611 -4.409 11.989 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.941 -4.485 12.946 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.607 -4.486 11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.785 -5.700 10.681 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.011 -4.611 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.415 -2.595 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.061 -3.825 9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.211 -2.401 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.966 -2.439 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.604 -2.235 10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.156 -3.556 9.087 1.00 0.00 H new ATOM 1028 N HIS A 69 -1.776 -1.947 12.004 1.00 0.00 N ATOM 1029 CA HIS A 69 -1.918 -0.502 12.049 1.00 0.00 C ATOM 1030 C HIS A 69 -0.905 0.144 11.103 1.00 0.00 C ATOM 1031 O HIS A 69 0.302 -0.040 11.259 1.00 0.00 O ATOM 1032 CB HIS A 69 -1.797 0.010 13.486 1.00 0.00 C ATOM 1033 CG HIS A 69 -2.987 -0.314 14.356 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -4.041 0.564 14.545 1.00 0.00 N ATOM 1035 CD2 HIS A 69 -3.280 -1.430 15.085 1.00 0.00 C ATOM 1036 CE1 HIS A 69 -4.920 -0.006 15.354 1.00 0.00 C ATOM 1037 NE2 HIS A 69 -4.448 -1.242 15.688 1.00 0.00 N ATOM 0 H HIS A 69 -0.820 -2.278 11.874 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.913 -0.220 11.706 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.902 -0.417 13.939 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.659 1.091 13.465 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.666 -2.316 15.159 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.848 0.431 15.691 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.915 -1.911 16.300 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.432 0.886 10.139 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.588 1.559 9.168 1.00 0.00 C ATOM 1048 C HIS A 70 0.540 2.297 9.891 1.00 0.00 C ATOM 1049 O HIS A 70 0.327 2.873 10.956 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.421 2.481 8.272 1.00 0.00 C ATOM 1051 CG HIS A 70 -0.719 2.903 7.004 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -0.612 2.078 5.897 1.00 0.00 N ATOM 1053 CD2 HIS A 70 -0.092 4.068 6.678 1.00 0.00 C ATOM 1054 CE1 HIS A 70 0.052 2.729 4.953 1.00 0.00 C ATOM 1055 NE2 HIS A 70 0.375 3.962 5.440 1.00 0.00 N ATOM 0 H HIS A 70 -2.433 1.035 10.011 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.128 0.823 8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.349 1.974 8.010 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.693 3.372 8.838 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.981 1.130 5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.008 4.932 7.319 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.295 2.350 3.971 1.00 0.00 H new ATOM 1064 N GLY A 71 1.716 2.253 9.281 1.00 0.00 N ATOM 1065 CA GLY A 71 2.879 2.911 9.853 1.00 0.00 C ATOM 1066 C GLY A 71 3.510 2.051 10.951 1.00 0.00 C ATOM 1067 O GLY A 71 4.727 1.881 10.989 1.00 0.00 O ATOM 0 H GLY A 71 1.888 1.773 8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.613 3.105 9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.589 3.878 10.265 1.00 0.00 H new ATOM 1071 N ASN A 72 2.652 1.532 11.817 1.00 0.00 N ATOM 1072 CA ASN A 72 3.110 0.693 12.912 1.00 0.00 C ATOM 1073 C ASN A 72 2.306 -0.609 12.924 1.00 0.00 C ATOM 1074 O ASN A 72 1.356 -0.749 13.692 1.00 0.00 O ATOM 1075 CB ASN A 72 2.904 1.387 14.260 1.00 0.00 C ATOM 1076 CG ASN A 72 3.688 0.680 15.367 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.574 -0.123 15.121 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.313 1.018 16.597 1.00 0.00 N ATOM 0 H ASN A 72 1.643 1.676 11.783 1.00 0.00 H new ATOM 0 HA ASN A 72 4.172 0.497 12.764 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.224 2.427 14.190 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.843 1.396 14.510 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.774 0.598 17.404 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.564 1.697 16.733 1.00 0.00 H new ATOM 1085 N ALA A 73 2.716 -1.527 12.060 1.00 0.00 N ATOM 1086 CA ALA A 73 2.046 -2.813 11.961 1.00 0.00 C ATOM 1087 C ALA A 73 2.173 -3.554 13.295 1.00 0.00 C ATOM 1088 O ALA A 73 3.271 -3.682 13.836 1.00 0.00 O ATOM 1089 CB ALA A 73 2.635 -3.607 10.795 1.00 0.00 C ATOM 0 H ALA A 73 3.503 -1.406 11.423 1.00 0.00 H new ATOM 0 HA ALA A 73 0.983 -2.677 11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.132 -4.571 10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.493 -3.052 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.700 -3.765 10.964 1.00 0.00 H new ATOM 1095 N LYS A 74 1.034 -4.022 13.785 1.00 0.00 N ATOM 1096 CA LYS A 74 1.005 -4.746 15.045 1.00 0.00 C ATOM 1097 C LYS A 74 1.855 -6.012 14.920 1.00 0.00 C ATOM 1098 O LYS A 74 2.321 -6.347 13.832 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.439 -5.015 15.474 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.754 -4.319 16.800 1.00 0.00 C ATOM 1101 CD LYS A 74 -0.643 -5.297 17.971 1.00 0.00 C ATOM 1102 CE LYS A 74 0.150 -4.680 19.126 1.00 0.00 C ATOM 1103 NZ LYS A 74 -0.754 -4.327 20.244 1.00 0.00 N ATOM 0 H LYS A 74 0.126 -3.914 13.333 1.00 0.00 H new ATOM 0 HA LYS A 74 1.444 -4.144 15.841 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.123 -4.663 14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.598 -6.089 15.575 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.067 -3.486 16.950 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.760 -3.900 16.765 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.640 -5.572 18.315 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.156 -6.214 17.639 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.908 -5.383 19.471 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.675 -3.790 18.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.201 -3.910 21.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.461 -3.640 19.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.236 -5.183 20.585 1.00 0.00 H new ATOM 1117 N ASP A 75 2.032 -6.681 16.049 1.00 0.00 N ATOM 1118 CA ASP A 75 2.819 -7.903 16.081 1.00 0.00 C ATOM 1119 C ASP A 75 2.030 -9.028 15.407 1.00 0.00 C ATOM 1120 O ASP A 75 2.439 -10.188 15.447 1.00 0.00 O ATOM 1121 CB ASP A 75 3.116 -8.330 17.519 1.00 0.00 C ATOM 1122 CG ASP A 75 4.505 -7.949 18.031 1.00 0.00 C ATOM 1123 OD1 ASP A 75 5.094 -7.018 17.440 1.00 0.00 O ATOM 1124 OD2 ASP A 75 4.949 -8.597 19.005 1.00 0.00 O ATOM 0 H ASP A 75 1.644 -6.400 16.950 1.00 0.00 H new ATOM 0 HA ASP A 75 3.758 -7.714 15.561 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.368 -7.886 18.176 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.002 -9.412 17.592 1.00 0.00 H new ATOM 1129 N PHE A 76 0.914 -8.647 14.803 1.00 0.00 N ATOM 1130 CA PHE A 76 0.065 -9.609 14.122 1.00 0.00 C ATOM 1131 C PHE A 76 0.217 -9.496 12.603 1.00 0.00 C ATOM 1132 O PHE A 76 0.045 -10.479 11.883 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.380 -9.281 14.503 1.00 0.00 C ATOM 1134 CG PHE A 76 -1.677 -9.427 15.998 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -1.053 -8.618 16.896 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -2.564 -10.364 16.426 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -1.329 -8.754 18.282 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -2.840 -10.499 17.812 1.00 0.00 C ATOM 1139 CZ PHE A 76 -2.216 -9.691 18.711 1.00 0.00 C ATOM 0 H PHE A 76 0.578 -7.684 14.771 1.00 0.00 H new ATOM 0 HA PHE A 76 0.343 -10.622 14.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.603 -8.259 14.197 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.050 -9.935 13.944 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.349 -7.873 16.555 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.059 -11.006 15.712 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.834 -8.113 18.996 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.545 -11.243 18.153 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.425 -9.794 19.766 1.00 0.00 H new ATOM 1149 N ALA A 77 0.539 -8.289 12.162 1.00 0.00 N ATOM 1150 CA ALA A 77 0.715 -8.036 10.742 1.00 0.00 C ATOM 1151 C ALA A 77 1.963 -8.770 10.247 1.00 0.00 C ATOM 1152 O ALA A 77 1.860 -9.810 9.599 1.00 0.00 O ATOM 1153 CB ALA A 77 0.793 -6.526 10.499 1.00 0.00 C ATOM 0 H ALA A 77 0.682 -7.477 12.762 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.136 -8.415 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.925 -6.335 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.128 -6.054 10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.638 -6.112 11.049 1.00 0.00 H new ATOM 1159 N MET A 78 3.114 -8.200 10.575 1.00 0.00 N ATOM 1160 CA MET A 78 4.381 -8.789 10.172 1.00 0.00 C ATOM 1161 C MET A 78 4.700 -10.029 11.011 1.00 0.00 C ATOM 1162 O MET A 78 5.836 -10.214 11.442 1.00 0.00 O ATOM 1163 CB MET A 78 5.498 -7.758 10.339 1.00 0.00 C ATOM 1164 CG MET A 78 5.978 -7.700 11.790 1.00 0.00 C ATOM 1165 SD MET A 78 4.577 -7.649 12.895 1.00 0.00 S ATOM 1166 CE MET A 78 5.023 -8.962 14.021 1.00 0.00 C ATOM 0 H MET A 78 3.196 -7.338 11.114 1.00 0.00 H new ATOM 0 HA MET A 78 4.305 -9.090 9.127 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.333 -8.012 9.686 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.140 -6.776 10.031 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.596 -8.570 12.012 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.602 -6.819 11.940 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.597 -8.759 15.004 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.636 -9.910 13.647 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.109 -9.020 14.101 1.00 0.00 H new ATOM 1176 N LYS A 79 3.677 -10.845 11.216 1.00 0.00 N ATOM 1177 CA LYS A 79 3.835 -12.062 11.996 1.00 0.00 C ATOM 1178 C LYS A 79 2.968 -13.167 11.388 1.00 0.00 C ATOM 1179 O LYS A 79 3.452 -14.266 11.123 1.00 0.00 O ATOM 1180 CB LYS A 79 3.542 -11.794 13.474 1.00 0.00 C ATOM 1181 CG LYS A 79 3.073 -13.067 14.179 1.00 0.00 C ATOM 1182 CD LYS A 79 4.171 -14.132 14.175 1.00 0.00 C ATOM 1183 CE LYS A 79 4.982 -14.089 15.471 1.00 0.00 C ATOM 1184 NZ LYS A 79 6.219 -14.890 15.336 1.00 0.00 N ATOM 0 H LYS A 79 2.736 -10.688 10.856 1.00 0.00 H new ATOM 0 HA LYS A 79 4.868 -12.408 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.438 -11.413 13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.778 -11.022 13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.790 -12.835 15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.183 -13.455 13.683 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.725 -15.119 14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.832 -13.974 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.235 -13.057 15.714 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.381 -14.473 16.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.757 -14.850 16.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.972 -15.878 15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.799 -14.506 14.563 1.00 0.00 H new ATOM 1198 N HIS A 80 1.701 -12.836 11.185 1.00 0.00 N ATOM 1199 CA HIS A 80 0.761 -13.788 10.614 1.00 0.00 C ATOM 1200 C HIS A 80 1.134 -14.065 9.158 1.00 0.00 C ATOM 1201 O HIS A 80 0.544 -14.933 8.516 1.00 0.00 O ATOM 1202 CB HIS A 80 -0.677 -13.293 10.774 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.065 -12.204 9.802 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.169 -11.252 9.347 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.258 -11.930 9.200 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -0.807 -10.445 8.512 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.100 -10.865 8.423 1.00 0.00 N ATOM 0 H HIS A 80 1.303 -11.923 11.405 1.00 0.00 H new ATOM 0 HA HIS A 80 0.820 -14.733 11.154 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.356 -14.136 10.649 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.812 -12.923 11.790 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.814 -11.183 9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.175 -12.485 9.333 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.377 -9.601 7.993 1.00 0.00 H new ATOM 1216 N GLY A 81 2.113 -13.312 8.677 1.00 0.00 N ATOM 1217 CA GLY A 81 2.572 -13.466 7.307 1.00 0.00 C ATOM 1218 C GLY A 81 4.079 -13.225 7.203 1.00 0.00 C ATOM 1219 O GLY A 81 4.585 -12.887 6.134 1.00 0.00 O ATOM 0 H GLY A 81 2.601 -12.594 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.335 -14.469 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.043 -12.765 6.661 1.00 0.00 H new ATOM 1223 N ALA A 82 4.754 -13.405 8.328 1.00 0.00 N ATOM 1224 CA ALA A 82 6.194 -13.211 8.378 1.00 0.00 C ATOM 1225 C ALA A 82 6.840 -14.402 9.089 1.00 0.00 C ATOM 1226 O ALA A 82 6.170 -15.133 9.817 1.00 0.00 O ATOM 1227 CB ALA A 82 6.506 -11.881 9.066 1.00 0.00 C ATOM 0 H ALA A 82 4.331 -13.683 9.213 1.00 0.00 H new ATOM 0 HA ALA A 82 6.610 -13.163 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.586 -11.735 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.049 -11.065 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.106 -11.893 10.080 1.00 0.00 H new ATOM 1233 N ASP A 83 8.135 -14.558 8.854 1.00 0.00 N ATOM 1234 CA ASP A 83 8.879 -15.647 9.464 1.00 0.00 C ATOM 1235 C ASP A 83 9.564 -15.141 10.734 1.00 0.00 C ATOM 1236 O ASP A 83 9.922 -13.968 10.827 1.00 0.00 O ATOM 1237 CB ASP A 83 9.961 -16.170 8.518 1.00 0.00 C ATOM 1238 CG ASP A 83 10.381 -15.198 7.414 1.00 0.00 C ATOM 1239 OD1 ASP A 83 10.314 -13.978 7.677 1.00 0.00 O ATOM 1240 OD2 ASP A 83 10.761 -15.697 6.332 1.00 0.00 O ATOM 0 H ASP A 83 8.687 -13.949 8.250 1.00 0.00 H new ATOM 0 HA ASP A 83 8.178 -16.451 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.841 -16.430 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.604 -17.090 8.055 1.00 0.00 H new ATOM 1245 N GLU A 84 9.729 -16.052 11.682 1.00 0.00 N ATOM 1246 CA GLU A 84 10.367 -15.713 12.943 1.00 0.00 C ATOM 1247 C GLU A 84 11.531 -14.751 12.708 1.00 0.00 C ATOM 1248 O GLU A 84 11.839 -13.921 13.562 1.00 0.00 O ATOM 1249 CB GLU A 84 10.835 -16.972 13.677 1.00 0.00 C ATOM 1250 CG GLU A 84 10.008 -17.210 14.942 1.00 0.00 C ATOM 1251 CD GLU A 84 9.555 -18.668 15.037 1.00 0.00 C ATOM 1252 OE1 GLU A 84 10.341 -19.535 14.597 1.00 0.00 O ATOM 1253 OE2 GLU A 84 8.434 -18.883 15.546 1.00 0.00 O ATOM 0 H GLU A 84 9.432 -17.025 11.602 1.00 0.00 H new ATOM 0 HA GLU A 84 9.633 -15.215 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.751 -17.835 13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.888 -16.873 13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.599 -16.952 15.821 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.137 -16.555 14.940 1.00 0.00 H new ATOM 1260 N THR A 85 12.149 -14.894 11.545 1.00 0.00 N ATOM 1261 CA THR A 85 13.275 -14.048 11.185 1.00 0.00 C ATOM 1262 C THR A 85 12.817 -12.597 11.012 1.00 0.00 C ATOM 1263 O THR A 85 13.499 -11.672 11.450 1.00 0.00 O ATOM 1264 CB THR A 85 13.925 -14.633 9.931 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.270 -14.168 9.988 1.00 0.00 O ATOM 1266 CG2 THR A 85 13.373 -14.017 8.643 1.00 0.00 C ATOM 0 H THR A 85 11.891 -15.584 10.839 1.00 0.00 H new ATOM 0 HA THR A 85 14.024 -14.028 11.977 1.00 0.00 H new ATOM 0 HB THR A 85 13.771 -15.712 9.913 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.765 -14.503 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.868 -14.468 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.300 -14.202 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.557 -12.943 8.646 1.00 0.00 H new ATOM 1274 N MET A 86 11.666 -12.446 10.373 1.00 0.00 N ATOM 1275 CA MET A 86 11.109 -11.124 10.137 1.00 0.00 C ATOM 1276 C MET A 86 11.190 -10.262 11.399 1.00 0.00 C ATOM 1277 O MET A 86 11.465 -9.066 11.321 1.00 0.00 O ATOM 1278 CB MET A 86 9.649 -11.257 9.701 1.00 0.00 C ATOM 1279 CG MET A 86 8.703 -10.760 10.796 1.00 0.00 C ATOM 1280 SD MET A 86 8.335 -12.088 11.930 1.00 0.00 S ATOM 1281 CE MET A 86 7.520 -11.171 13.227 1.00 0.00 C ATOM 0 H MET A 86 11.104 -13.217 10.011 1.00 0.00 H new ATOM 0 HA MET A 86 11.689 -10.639 9.352 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.485 -10.686 8.787 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.428 -12.299 9.470 1.00 0.00 H new ATOM 0 HG2 MET A 86 9.159 -9.928 11.333 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.782 -10.385 10.350 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.834 -11.556 14.197 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.788 -10.117 13.151 1.00 0.00 H new ATOM 0 HE3 MET A 86 6.440 -11.279 13.126 1.00 0.00 H new ATOM 1291 N ALA A 87 10.946 -10.903 12.532 1.00 0.00 N ATOM 1292 CA ALA A 87 10.988 -10.210 13.808 1.00 0.00 C ATOM 1293 C ALA A 87 12.275 -9.389 13.896 1.00 0.00 C ATOM 1294 O ALA A 87 12.240 -8.207 14.233 1.00 0.00 O ATOM 1295 CB ALA A 87 10.865 -11.227 14.946 1.00 0.00 C ATOM 0 H ALA A 87 10.718 -11.895 12.593 1.00 0.00 H new ATOM 0 HA ALA A 87 10.150 -9.519 13.897 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.897 -10.707 15.904 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.920 -11.763 14.855 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.691 -11.936 14.891 1.00 0.00 H new ATOM 1301 N GLN A 88 13.382 -10.049 13.587 1.00 0.00 N ATOM 1302 CA GLN A 88 14.679 -9.395 13.627 1.00 0.00 C ATOM 1303 C GLN A 88 15.046 -8.859 12.241 1.00 0.00 C ATOM 1304 O GLN A 88 15.505 -7.726 12.112 1.00 0.00 O ATOM 1305 CB GLN A 88 15.757 -10.345 14.152 1.00 0.00 C ATOM 1306 CG GLN A 88 17.157 -9.803 13.857 1.00 0.00 C ATOM 1307 CD GLN A 88 17.825 -10.594 12.730 1.00 0.00 C ATOM 1308 OE1 GLN A 88 17.681 -10.047 11.526 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 18.432 -11.631 12.940 1.00 0.00 N flip ATOM 0 H GLN A 88 13.407 -11.030 13.308 1.00 0.00 H new ATOM 0 HA GLN A 88 14.618 -8.553 14.316 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.635 -10.481 15.227 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.638 -11.326 13.691 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.092 -8.751 13.579 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.769 -9.858 14.757 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.505 -11.996 13.890 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.867 -12.133 12.166 1.00 0.00 H new ATOM 1318 N GLN A 89 14.832 -9.701 11.241 1.00 0.00 N ATOM 1319 CA GLN A 89 15.135 -9.327 9.870 1.00 0.00 C ATOM 1320 C GLN A 89 14.640 -7.908 9.586 1.00 0.00 C ATOM 1321 O GLN A 89 15.419 -7.044 9.185 1.00 0.00 O ATOM 1322 CB GLN A 89 14.529 -10.327 8.882 1.00 0.00 C ATOM 1323 CG GLN A 89 15.576 -11.340 8.415 1.00 0.00 C ATOM 1324 CD GLN A 89 15.380 -11.691 6.939 1.00 0.00 C ATOM 1325 OE1 GLN A 89 14.558 -12.518 6.576 1.00 0.00 O ATOM 1326 NE2 GLN A 89 16.175 -11.020 6.112 1.00 0.00 N ATOM 0 H GLN A 89 14.452 -10.641 11.353 1.00 0.00 H new ATOM 0 HA GLN A 89 16.217 -9.347 9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.697 -10.850 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.125 -9.794 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.575 -10.931 8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.507 -12.244 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.841 -10.342 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.119 -11.183 5.107 1.00 0.00 H new ATOM 1335 N LEU A 90 13.347 -7.710 9.803 1.00 0.00 N ATOM 1336 CA LEU A 90 12.741 -6.410 9.576 1.00 0.00 C ATOM 1337 C LEU A 90 13.611 -5.326 10.215 1.00 0.00 C ATOM 1338 O LEU A 90 13.935 -4.327 9.575 1.00 0.00 O ATOM 1339 CB LEU A 90 11.292 -6.402 10.065 1.00 0.00 C ATOM 1340 CG LEU A 90 10.243 -6.888 9.061 1.00 0.00 C ATOM 1341 CD1 LEU A 90 10.613 -8.264 8.505 1.00 0.00 C ATOM 1342 CD2 LEU A 90 8.844 -6.877 9.682 1.00 0.00 C ATOM 0 H LEU A 90 12.703 -8.429 10.134 1.00 0.00 H new ATOM 0 HA LEU A 90 12.695 -6.193 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.227 -7.024 10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.036 -5.386 10.365 1.00 0.00 H new ATOM 0 HG LEU A 90 10.227 -6.195 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.852 -8.586 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.578 -8.205 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.673 -8.982 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.118 -7.226 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.827 -7.534 10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.590 -5.862 9.989 1.00 0.00 H new ATOM 1354 N VAL A 91 13.964 -5.560 11.472 1.00 0.00 N ATOM 1355 CA VAL A 91 14.791 -4.617 12.205 1.00 0.00 C ATOM 1356 C VAL A 91 16.074 -4.348 11.415 1.00 0.00 C ATOM 1357 O VAL A 91 16.797 -3.397 11.705 1.00 0.00 O ATOM 1358 CB VAL A 91 15.055 -5.141 13.617 1.00 0.00 C ATOM 1359 CG1 VAL A 91 15.461 -4.003 14.557 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.839 -5.894 14.160 1.00 0.00 C ATOM 0 H VAL A 91 13.692 -6.389 12.000 1.00 0.00 H new ATOM 0 HA VAL A 91 14.275 -3.664 12.319 1.00 0.00 H new ATOM 0 HB VAL A 91 15.886 -5.844 13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.643 -4.403 15.555 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.369 -3.530 14.184 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.660 -3.265 14.602 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.054 -6.256 15.165 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.980 -5.224 14.192 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.615 -6.740 13.510 1.00 0.00 H new ATOM 1370 N ASP A 92 16.317 -5.205 10.435 1.00 0.00 N ATOM 1371 CA ASP A 92 17.501 -5.072 9.602 1.00 0.00 C ATOM 1372 C ASP A 92 17.258 -3.993 8.545 1.00 0.00 C ATOM 1373 O ASP A 92 17.828 -2.906 8.620 1.00 0.00 O ATOM 1374 CB ASP A 92 17.813 -6.383 8.877 1.00 0.00 C ATOM 1375 CG ASP A 92 19.261 -6.531 8.404 1.00 0.00 C ATOM 1376 OD1 ASP A 92 20.086 -5.697 8.834 1.00 0.00 O ATOM 1377 OD2 ASP A 92 19.510 -7.477 7.623 1.00 0.00 O ATOM 0 H ASP A 92 15.715 -5.994 10.199 1.00 0.00 H new ATOM 0 HA ASP A 92 18.339 -4.807 10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.577 -7.214 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 92 17.154 -6.469 8.013 1.00 0.00 H new ATOM 1382 N ILE A 93 16.411 -4.332 7.584 1.00 0.00 N ATOM 1383 CA ILE A 93 16.085 -3.404 6.515 1.00 0.00 C ATOM 1384 C ILE A 93 15.342 -2.200 7.097 1.00 0.00 C ATOM 1385 O ILE A 93 15.671 -1.055 6.789 1.00 0.00 O ATOM 1386 CB ILE A 93 15.317 -4.120 5.401 1.00 0.00 C ATOM 1387 CG1 ILE A 93 13.810 -4.064 5.651 1.00 0.00 C ATOM 1388 CG2 ILE A 93 15.816 -5.556 5.226 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.386 -5.110 6.683 1.00 0.00 C ATOM 0 H ILE A 93 15.941 -5.235 7.524 1.00 0.00 H new ATOM 0 HA ILE A 93 16.995 -3.023 6.051 1.00 0.00 H new ATOM 0 HB ILE A 93 15.508 -3.597 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.533 -3.070 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.276 -4.233 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.254 -6.042 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 93 16.875 -5.544 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.675 -6.106 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.309 -5.049 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.643 -6.105 6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.903 -4.923 7.624 1.00 0.00 H new ATOM 1401 N ILE A 94 14.352 -2.499 7.926 1.00 0.00 N ATOM 1402 CA ILE A 94 13.562 -1.455 8.553 1.00 0.00 C ATOM 1403 C ILE A 94 14.495 -0.445 9.223 1.00 0.00 C ATOM 1404 O ILE A 94 14.129 0.713 9.417 1.00 0.00 O ATOM 1405 CB ILE A 94 12.530 -2.064 9.506 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.651 -3.085 8.781 1.00 0.00 C ATOM 1407 CG2 ILE A 94 11.701 -0.973 10.187 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.168 -2.733 8.928 1.00 0.00 C ATOM 0 H ILE A 94 14.080 -3.449 8.177 1.00 0.00 H new ATOM 0 HA ILE A 94 12.989 -0.910 7.803 1.00 0.00 H new ATOM 0 HB ILE A 94 13.064 -2.599 10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.918 -3.116 7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.834 -4.081 9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.976 -1.433 10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.360 -0.318 10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.176 -0.389 9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.564 -3.474 8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.898 -2.727 9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.984 -1.747 8.501 1.00 0.00 H new ATOM 1420 N HIS A 95 15.685 -0.921 9.560 1.00 0.00 N ATOM 1421 CA HIS A 95 16.675 -0.073 10.204 1.00 0.00 C ATOM 1422 C HIS A 95 17.307 0.857 9.168 1.00 0.00 C ATOM 1423 O HIS A 95 17.712 1.971 9.494 1.00 0.00 O ATOM 1424 CB HIS A 95 17.711 -0.919 10.951 1.00 0.00 C ATOM 1425 CG HIS A 95 17.482 -0.992 12.442 1.00 0.00 C ATOM 1426 ND1 HIS A 95 18.520 -1.001 13.359 1.00 0.00 N ATOM 1427 CD2 HIS A 95 16.329 -1.056 13.166 1.00 0.00 C ATOM 1428 CE1 HIS A 95 18.001 -1.070 14.576 1.00 0.00 C ATOM 1429 NE2 HIS A 95 16.642 -1.106 14.454 1.00 0.00 N ATOM 0 H HIS A 95 15.986 -1.882 9.399 1.00 0.00 H new ATOM 0 HA HIS A 95 16.191 0.552 10.954 1.00 0.00 H new ATOM 0 HB2 HIS A 95 17.703 -1.929 10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.703 -0.508 10.765 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.329 -1.065 12.759 1.00 0.00 H new ATOM 0 HE1 HIS A 95 18.556 -1.094 15.502 1.00 0.00 H new ATOM 0 HE2 HIS A 95 15.977 -1.162 15.226 1.00 0.00 H new ATOM 1438 N GLY A 96 17.371 0.365 7.938 1.00 0.00 N ATOM 1439 CA GLY A 96 17.947 1.138 6.852 1.00 0.00 C ATOM 1440 C GLY A 96 16.892 2.029 6.194 1.00 0.00 C ATOM 1441 O GLY A 96 17.222 3.044 5.584 1.00 0.00 O ATOM 0 H GLY A 96 17.033 -0.560 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.763 1.754 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.375 0.465 6.109 1.00 0.00 H new ATOM 1445 N CYS A 97 15.640 1.615 6.341 1.00 0.00 N ATOM 1446 CA CYS A 97 14.534 2.364 5.767 1.00 0.00 C ATOM 1447 C CYS A 97 14.047 3.374 6.808 1.00 0.00 C ATOM 1448 O CYS A 97 14.092 4.581 6.575 1.00 0.00 O ATOM 1449 CB CYS A 97 13.409 1.439 5.301 1.00 0.00 C ATOM 1450 SG CYS A 97 13.467 0.993 3.526 1.00 0.00 S ATOM 0 H CYS A 97 15.368 0.773 6.848 1.00 0.00 H new ATOM 0 HA CYS A 97 14.873 2.895 4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.442 0.524 5.892 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.453 1.919 5.509 1.00 0.00 H new ATOM 1455 N GLU A 98 13.594 2.844 7.935 1.00 0.00 N ATOM 1456 CA GLU A 98 13.099 3.684 9.010 1.00 0.00 C ATOM 1457 C GLU A 98 14.055 4.853 9.254 1.00 0.00 C ATOM 1458 O GLU A 98 13.626 5.945 9.626 1.00 0.00 O ATOM 1459 CB GLU A 98 12.892 2.871 10.290 1.00 0.00 C ATOM 1460 CG GLU A 98 12.013 3.630 11.287 1.00 0.00 C ATOM 1461 CD GLU A 98 12.858 4.533 12.188 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.560 3.970 13.055 1.00 0.00 O ATOM 1463 OE2 GLU A 98 12.784 5.764 11.987 1.00 0.00 O ATOM 0 H GLU A 98 13.560 1.843 8.126 1.00 0.00 H new ATOM 0 HA GLU A 98 12.131 4.087 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.429 1.915 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.858 2.651 10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.281 4.231 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.455 2.921 11.898 1.00 0.00 H new ATOM 1470 N LYS A 99 15.334 4.587 9.033 1.00 0.00 N ATOM 1471 CA LYS A 99 16.354 5.602 9.223 1.00 0.00 C ATOM 1472 C LYS A 99 16.300 6.598 8.064 1.00 0.00 C ATOM 1473 O LYS A 99 16.612 7.776 8.235 1.00 0.00 O ATOM 1474 CB LYS A 99 17.728 4.955 9.413 1.00 0.00 C ATOM 1475 CG LYS A 99 18.312 4.506 8.071 1.00 0.00 C ATOM 1476 CD LYS A 99 19.578 5.296 7.733 1.00 0.00 C ATOM 1477 CE LYS A 99 19.655 5.593 6.236 1.00 0.00 C ATOM 1478 NZ LYS A 99 21.046 5.447 5.748 1.00 0.00 N ATOM 0 H LYS A 99 15.687 3.681 8.724 1.00 0.00 H new ATOM 0 HA LYS A 99 16.163 6.165 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.405 5.664 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.641 4.098 10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.542 3.441 8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.571 4.644 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.588 6.231 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.457 4.730 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.999 4.914 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.300 6.605 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.080 5.652 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.664 6.112 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.372 4.474 5.916 1.00 0.00 H new ATOM 1492 N SER A 100 15.898 6.089 6.907 1.00 0.00 N ATOM 1493 CA SER A 100 15.797 6.920 5.719 1.00 0.00 C ATOM 1494 C SER A 100 14.358 7.408 5.541 1.00 0.00 C ATOM 1495 O SER A 100 14.085 8.246 4.685 1.00 0.00 O ATOM 1496 CB SER A 100 16.256 6.157 4.475 1.00 0.00 C ATOM 1497 OG SER A 100 17.320 6.826 3.801 1.00 0.00 O ATOM 0 H SER A 100 15.639 5.112 6.768 1.00 0.00 H new ATOM 0 HA SER A 100 16.452 7.782 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.581 5.157 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.414 6.035 3.793 1.00 0.00 H new ATOM 0 HG SER A 100 17.586 6.307 3.013 1.00 0.00 H new ATOM 1503 N ALA A 101 13.476 6.860 6.366 1.00 0.00 N ATOM 1504 CA ALA A 101 12.072 7.229 6.311 1.00 0.00 C ATOM 1505 C ALA A 101 11.669 7.884 7.633 1.00 0.00 C ATOM 1506 O ALA A 101 11.086 7.235 8.500 1.00 0.00 O ATOM 1507 CB ALA A 101 11.231 5.991 5.993 1.00 0.00 C ATOM 0 H ALA A 101 13.707 6.164 7.075 1.00 0.00 H new ATOM 0 HA ALA A 101 11.897 7.955 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.177 6.268 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.537 5.581 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.379 5.241 6.770 1.00 0.00 H new ATOM 1513 N PRO A 102 12.004 9.197 7.750 1.00 0.00 N ATOM 1514 CA PRO A 102 11.684 9.947 8.953 1.00 0.00 C ATOM 1515 C PRO A 102 10.193 10.289 9.005 1.00 0.00 C ATOM 1516 O PRO A 102 9.465 10.055 8.041 1.00 0.00 O ATOM 1517 CB PRO A 102 12.572 11.180 8.896 1.00 0.00 C ATOM 1518 CG PRO A 102 13.015 11.309 7.448 1.00 0.00 C ATOM 1519 CD PRO A 102 12.695 9.999 6.744 1.00 0.00 C ATOM 0 HA PRO A 102 11.870 9.379 9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.028 12.068 9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.431 11.074 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.500 12.138 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.083 11.521 7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.067 10.163 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.602 9.504 6.397 1.00 0.00 H new ATOM 1527 N PRO A 103 9.772 10.848 10.171 1.00 0.00 N ATOM 1528 CA PRO A 103 8.380 11.222 10.362 1.00 0.00 C ATOM 1529 C PRO A 103 8.045 12.498 9.588 1.00 0.00 C ATOM 1530 O PRO A 103 7.374 13.386 10.110 1.00 0.00 O ATOM 1531 CB PRO A 103 8.219 11.379 11.865 1.00 0.00 C ATOM 1532 CG PRO A 103 9.624 11.542 12.421 1.00 0.00 C ATOM 1533 CD PRO A 103 10.606 11.138 11.335 1.00 0.00 C ATOM 0 HA PRO A 103 7.686 10.475 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.602 12.245 12.103 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.726 10.508 12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.796 12.574 12.726 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.758 10.921 13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.315 11.938 11.125 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.189 10.266 11.632 1.00 0.00 H new ATOM 1541 N ASN A 104 8.529 12.549 8.355 1.00 0.00 N ATOM 1542 CA ASN A 104 8.289 13.703 7.505 1.00 0.00 C ATOM 1543 C ASN A 104 6.785 13.853 7.269 1.00 0.00 C ATOM 1544 O ASN A 104 6.056 12.863 7.239 1.00 0.00 O ATOM 1545 CB ASN A 104 8.967 13.533 6.144 1.00 0.00 C ATOM 1546 CG ASN A 104 9.390 14.886 5.569 1.00 0.00 C ATOM 1547 OD1 ASN A 104 8.599 15.803 5.424 1.00 0.00 O ATOM 1548 ND2 ASN A 104 10.679 14.958 5.249 1.00 0.00 N ATOM 0 H ASN A 104 9.086 11.810 7.925 1.00 0.00 H new ATOM 0 HA ASN A 104 8.697 14.582 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.840 12.889 6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.285 13.038 5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.060 15.819 4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.287 14.152 5.396 1.00 0.00 H new ATOM 1555 N ASP A 105 6.366 15.099 7.107 1.00 0.00 N ATOM 1556 CA ASP A 105 4.961 15.392 6.874 1.00 0.00 C ATOM 1557 C ASP A 105 4.473 14.597 5.662 1.00 0.00 C ATOM 1558 O ASP A 105 3.278 14.344 5.521 1.00 0.00 O ATOM 1559 CB ASP A 105 4.749 16.878 6.583 1.00 0.00 C ATOM 1560 CG ASP A 105 4.204 17.696 7.756 1.00 0.00 C ATOM 1561 OD1 ASP A 105 5.032 18.103 8.597 1.00 0.00 O ATOM 1562 OD2 ASP A 105 2.969 17.894 7.783 1.00 0.00 O ATOM 0 H ASP A 105 6.974 15.918 7.132 1.00 0.00 H new ATOM 0 HA ASP A 105 4.406 15.119 7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.699 17.310 6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.062 16.974 5.743 1.00 0.00 H new ATOM 1567 N ASP A 106 5.424 14.227 4.816 1.00 0.00 N ATOM 1568 CA ASP A 106 5.106 13.467 3.619 1.00 0.00 C ATOM 1569 C ASP A 106 5.015 11.981 3.973 1.00 0.00 C ATOM 1570 O ASP A 106 5.306 11.123 3.140 1.00 0.00 O ATOM 1571 CB ASP A 106 6.191 13.636 2.555 1.00 0.00 C ATOM 1572 CG ASP A 106 5.685 14.064 1.175 1.00 0.00 C ATOM 1573 OD1 ASP A 106 4.798 14.944 1.145 1.00 0.00 O ATOM 1574 OD2 ASP A 106 6.196 13.500 0.184 1.00 0.00 O ATOM 0 H ASP A 106 6.414 14.439 4.936 1.00 0.00 H new ATOM 0 HA ASP A 106 4.158 13.835 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.911 14.375 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.727 12.693 2.452 1.00 0.00 H new ATOM 1579 N LYS A 107 4.612 11.723 5.207 1.00 0.00 N ATOM 1580 CA LYS A 107 4.482 10.356 5.681 1.00 0.00 C ATOM 1581 C LYS A 107 3.884 9.490 4.570 1.00 0.00 C ATOM 1582 O LYS A 107 4.171 8.297 4.484 1.00 0.00 O ATOM 1583 CB LYS A 107 3.686 10.315 6.986 1.00 0.00 C ATOM 1584 CG LYS A 107 4.617 10.383 8.199 1.00 0.00 C ATOM 1585 CD LYS A 107 3.950 9.775 9.436 1.00 0.00 C ATOM 1586 CE LYS A 107 3.379 10.865 10.343 1.00 0.00 C ATOM 1587 NZ LYS A 107 2.648 10.263 11.481 1.00 0.00 N ATOM 0 H LYS A 107 4.371 12.437 5.894 1.00 0.00 H new ATOM 0 HA LYS A 107 5.462 9.941 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.984 11.149 7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.095 9.400 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.543 9.851 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.885 11.420 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.153 9.099 9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.676 9.180 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.186 11.496 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.709 11.507 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.267 11.017 12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.866 9.679 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.297 9.669 12.035 1.00 0.00 H new ATOM 1601 N CYS A 108 3.064 10.125 3.745 1.00 0.00 N ATOM 1602 CA CYS A 108 2.424 9.428 2.642 1.00 0.00 C ATOM 1603 C CYS A 108 3.512 8.761 1.801 1.00 0.00 C ATOM 1604 O CYS A 108 3.412 7.578 1.475 1.00 0.00 O ATOM 1605 CB CYS A 108 1.554 10.370 1.808 1.00 0.00 C ATOM 1606 SG CYS A 108 0.391 9.534 0.669 1.00 0.00 S ATOM 0 H CYS A 108 2.828 11.115 3.818 1.00 0.00 H new ATOM 0 HA CYS A 108 1.749 8.666 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 108 0.984 11.008 2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.205 11.023 1.226 1.00 0.00 H new ATOM 1611 N MET A 109 4.527 9.546 1.470 1.00 0.00 N ATOM 1612 CA MET A 109 5.634 9.044 0.672 1.00 0.00 C ATOM 1613 C MET A 109 6.844 8.727 1.552 1.00 0.00 C ATOM 1614 O MET A 109 7.836 8.177 1.074 1.00 0.00 O ATOM 1615 CB MET A 109 6.021 10.090 -0.375 1.00 0.00 C ATOM 1616 CG MET A 109 6.401 9.424 -1.700 1.00 0.00 C ATOM 1617 SD MET A 109 8.092 8.856 -1.635 1.00 0.00 S ATOM 1618 CE MET A 109 7.824 7.090 -1.611 1.00 0.00 C ATOM 0 H MET A 109 4.606 10.526 1.740 1.00 0.00 H new ATOM 0 HA MET A 109 5.317 8.124 0.180 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.189 10.776 -0.534 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.858 10.684 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.734 8.585 -1.899 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.277 10.131 -2.520 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.630 6.592 -2.151 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.807 6.739 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.871 6.860 -2.088 1.00 0.00 H new ATOM 1628 N LYS A 110 6.725 9.088 2.821 1.00 0.00 N ATOM 1629 CA LYS A 110 7.798 8.849 3.771 1.00 0.00 C ATOM 1630 C LYS A 110 7.614 7.469 4.405 1.00 0.00 C ATOM 1631 O LYS A 110 8.277 6.510 4.015 1.00 0.00 O ATOM 1632 CB LYS A 110 7.875 9.988 4.789 1.00 0.00 C ATOM 1633 CG LYS A 110 9.326 10.415 5.025 1.00 0.00 C ATOM 1634 CD LYS A 110 9.813 11.344 3.911 1.00 0.00 C ATOM 1635 CE LYS A 110 10.879 10.660 3.052 1.00 0.00 C ATOM 1636 NZ LYS A 110 10.794 11.127 1.651 1.00 0.00 N ATOM 0 H LYS A 110 5.902 9.544 3.214 1.00 0.00 H new ATOM 0 HA LYS A 110 8.762 8.841 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.295 10.839 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.428 9.670 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.408 10.921 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.965 9.533 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.971 11.639 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.222 12.256 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.870 10.874 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.746 9.579 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.524 10.653 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.855 10.901 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.943 12.156 1.618 1.00 0.00 H new ATOM 1650 N THR A 111 6.709 7.414 5.371 1.00 0.00 N ATOM 1651 CA THR A 111 6.430 6.167 6.063 1.00 0.00 C ATOM 1652 C THR A 111 6.335 5.012 5.064 1.00 0.00 C ATOM 1653 O THR A 111 6.857 3.927 5.315 1.00 0.00 O ATOM 1654 CB THR A 111 5.157 6.360 6.890 1.00 0.00 C ATOM 1655 OG1 THR A 111 5.360 7.603 7.557 1.00 0.00 O ATOM 1656 CG2 THR A 111 5.035 5.342 8.026 1.00 0.00 C ATOM 0 H THR A 111 6.160 8.212 5.691 1.00 0.00 H new ATOM 0 HA THR A 111 7.240 5.902 6.742 1.00 0.00 H new ATOM 0 HB THR A 111 4.287 6.281 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.175 7.495 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.114 5.524 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.015 4.334 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.888 5.441 8.697 1.00 0.00 H new ATOM 1664 N ILE A 112 5.667 5.285 3.954 1.00 0.00 N ATOM 1665 CA ILE A 112 5.499 4.282 2.916 1.00 0.00 C ATOM 1666 C ILE A 112 6.832 3.570 2.679 1.00 0.00 C ATOM 1667 O ILE A 112 6.879 2.343 2.601 1.00 0.00 O ATOM 1668 CB ILE A 112 4.904 4.912 1.654 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.228 3.854 0.780 1.00 0.00 C ATOM 1670 CG2 ILE A 112 5.965 5.699 0.883 1.00 0.00 C ATOM 1671 CD1 ILE A 112 5.200 2.724 0.434 1.00 0.00 C ATOM 0 H ILE A 112 5.235 6.186 3.750 1.00 0.00 H new ATOM 0 HA ILE A 112 4.784 3.522 3.232 1.00 0.00 H new ATOM 0 HB ILE A 112 4.133 5.621 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.362 3.446 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.860 4.315 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.517 6.136 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.361 6.493 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.774 5.029 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.693 1.986 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.053 3.131 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.547 2.249 1.352 1.00 0.00 H new ATOM 1683 N ASP A 113 7.882 4.370 2.572 1.00 0.00 N ATOM 1684 CA ASP A 113 9.213 3.832 2.345 1.00 0.00 C ATOM 1685 C ASP A 113 9.418 2.602 3.231 1.00 0.00 C ATOM 1686 O ASP A 113 9.967 1.595 2.785 1.00 0.00 O ATOM 1687 CB ASP A 113 10.290 4.858 2.703 1.00 0.00 C ATOM 1688 CG ASP A 113 11.518 4.853 1.789 1.00 0.00 C ATOM 1689 OD1 ASP A 113 11.337 5.187 0.598 1.00 0.00 O ATOM 1690 OD2 ASP A 113 12.606 4.516 2.301 1.00 0.00 O ATOM 0 H ASP A 113 7.839 5.387 2.638 1.00 0.00 H new ATOM 0 HA ASP A 113 9.298 3.574 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.844 5.852 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.617 4.677 3.727 1.00 0.00 H new ATOM 1695 N VAL A 114 8.966 2.723 4.471 1.00 0.00 N ATOM 1696 CA VAL A 114 9.094 1.635 5.425 1.00 0.00 C ATOM 1697 C VAL A 114 7.963 0.629 5.197 1.00 0.00 C ATOM 1698 O VAL A 114 8.207 -0.573 5.103 1.00 0.00 O ATOM 1699 CB VAL A 114 9.125 2.187 6.850 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.129 1.422 7.714 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.431 3.685 6.851 1.00 0.00 C ATOM 0 H VAL A 114 8.510 3.559 4.837 1.00 0.00 H new ATOM 0 HA VAL A 114 10.036 1.106 5.277 1.00 0.00 H new ATOM 0 HB VAL A 114 8.135 2.047 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.131 1.836 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.847 0.370 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.126 1.515 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.447 4.052 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.403 3.858 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.662 4.214 6.288 1.00 0.00 H new ATOM 1711 N ALA A 115 6.752 1.158 5.113 1.00 0.00 N ATOM 1712 CA ALA A 115 5.583 0.321 4.899 1.00 0.00 C ATOM 1713 C ALA A 115 5.835 -0.602 3.704 1.00 0.00 C ATOM 1714 O ALA A 115 5.196 -1.645 3.576 1.00 0.00 O ATOM 1715 CB ALA A 115 4.351 1.206 4.703 1.00 0.00 C ATOM 0 H ALA A 115 6.554 2.156 5.189 1.00 0.00 H new ATOM 0 HA ALA A 115 5.396 -0.309 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.474 0.579 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.200 1.821 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.500 1.850 3.836 1.00 0.00 H new ATOM 1721 N MET A 116 6.767 -0.184 2.861 1.00 0.00 N ATOM 1722 CA MET A 116 7.111 -0.960 1.681 1.00 0.00 C ATOM 1723 C MET A 116 8.423 -1.719 1.888 1.00 0.00 C ATOM 1724 O MET A 116 8.626 -2.785 1.307 1.00 0.00 O ATOM 1725 CB MET A 116 7.244 -0.026 0.477 1.00 0.00 C ATOM 1726 CG MET A 116 8.529 0.803 0.566 1.00 0.00 C ATOM 1727 SD MET A 116 8.888 1.543 -1.018 1.00 0.00 S ATOM 1728 CE MET A 116 10.560 2.093 -0.730 1.00 0.00 C ATOM 0 H MET A 116 7.295 0.682 2.971 1.00 0.00 H new ATOM 0 HA MET A 116 6.318 -1.686 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.247 -0.611 -0.443 1.00 0.00 H new ATOM 0 HB3 MET A 116 6.381 0.638 0.430 1.00 0.00 H new ATOM 0 HG2 MET A 116 8.419 1.580 1.323 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.360 0.170 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 116 10.669 3.122 -1.073 1.00 0.00 H new ATOM 0 HE2 MET A 116 10.782 2.041 0.336 1.00 0.00 H new ATOM 0 HE3 MET A 116 11.253 1.453 -1.276 1.00 0.00 H new ATOM 1738 N CYS A 117 9.281 -1.140 2.715 1.00 0.00 N ATOM 1739 CA CYS A 117 10.568 -1.748 3.005 1.00 0.00 C ATOM 1740 C CYS A 117 10.326 -3.181 3.483 1.00 0.00 C ATOM 1741 O CYS A 117 10.979 -4.114 3.019 1.00 0.00 O ATOM 1742 CB CYS A 117 11.362 -0.932 4.027 1.00 0.00 C ATOM 1743 SG CYS A 117 13.180 -1.082 3.884 1.00 0.00 S ATOM 0 H CYS A 117 9.110 -0.256 3.194 1.00 0.00 H new ATOM 0 HA CYS A 117 11.176 -1.766 2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.089 0.118 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.064 -1.242 5.029 1.00 0.00 H new ATOM 1748 N PHE A 118 9.384 -3.311 4.407 1.00 0.00 N ATOM 1749 CA PHE A 118 9.047 -4.615 4.953 1.00 0.00 C ATOM 1750 C PHE A 118 8.473 -5.532 3.870 1.00 0.00 C ATOM 1751 O PHE A 118 8.867 -6.692 3.761 1.00 0.00 O ATOM 1752 CB PHE A 118 7.982 -4.387 6.028 1.00 0.00 C ATOM 1753 CG PHE A 118 7.214 -5.652 6.421 1.00 0.00 C ATOM 1754 CD1 PHE A 118 7.858 -6.848 6.479 1.00 0.00 C ATOM 1755 CD2 PHE A 118 5.887 -5.578 6.712 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.146 -8.022 6.843 1.00 0.00 C ATOM 1757 CE2 PHE A 118 5.175 -6.752 7.076 1.00 0.00 C ATOM 1758 CZ PHE A 118 5.819 -7.948 7.135 1.00 0.00 C ATOM 0 H PHE A 118 8.844 -2.535 4.791 1.00 0.00 H new ATOM 0 HA PHE A 118 9.940 -5.091 5.358 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.460 -3.973 6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.273 -3.640 5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.911 -6.905 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 118 5.376 -4.628 6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.657 -8.972 6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.121 -6.695 7.306 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.277 -8.840 7.414 1.00 0.00 H new ATOM 1768 N LYS A 119 7.552 -4.977 3.097 1.00 0.00 N ATOM 1769 CA LYS A 119 6.921 -5.730 2.027 1.00 0.00 C ATOM 1770 C LYS A 119 7.975 -6.105 0.983 1.00 0.00 C ATOM 1771 O LYS A 119 7.863 -7.142 0.329 1.00 0.00 O ATOM 1772 CB LYS A 119 5.735 -4.953 1.451 1.00 0.00 C ATOM 1773 CG LYS A 119 4.505 -5.852 1.313 1.00 0.00 C ATOM 1774 CD LYS A 119 3.216 -5.055 1.529 1.00 0.00 C ATOM 1775 CE LYS A 119 2.306 -5.144 0.302 1.00 0.00 C ATOM 1776 NZ LYS A 119 0.911 -5.423 0.711 1.00 0.00 N ATOM 0 H LYS A 119 7.227 -4.015 3.190 1.00 0.00 H new ATOM 0 HA LYS A 119 6.506 -6.662 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.501 -4.108 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.002 -4.544 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.493 -6.308 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.560 -6.664 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.691 -5.436 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.459 -4.012 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.347 -4.209 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.660 -5.930 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.307 -5.480 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.874 -6.326 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.571 -4.659 1.329 1.00 0.00 H new ATOM 1790 N LYS A 120 8.973 -5.243 0.858 1.00 0.00 N ATOM 1791 CA LYS A 120 10.045 -5.472 -0.094 1.00 0.00 C ATOM 1792 C LYS A 120 10.698 -6.825 0.194 1.00 0.00 C ATOM 1793 O LYS A 120 11.214 -7.475 -0.715 1.00 0.00 O ATOM 1794 CB LYS A 120 11.030 -4.300 -0.084 1.00 0.00 C ATOM 1795 CG LYS A 120 10.737 -3.328 -1.228 1.00 0.00 C ATOM 1796 CD LYS A 120 11.391 -1.968 -0.974 1.00 0.00 C ATOM 1797 CE LYS A 120 12.834 -1.953 -1.479 1.00 0.00 C ATOM 1798 NZ LYS A 120 13.777 -1.767 -0.352 1.00 0.00 N ATOM 0 H LYS A 120 9.061 -4.384 1.401 1.00 0.00 H new ATOM 0 HA LYS A 120 9.649 -5.518 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.967 -3.775 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.049 -4.676 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.106 -3.743 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.660 -3.203 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 120 10.819 -1.186 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.373 -1.745 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.055 -2.888 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.963 -1.150 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.752 -1.759 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.576 -0.864 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.665 -2.547 0.327 1.00 0.00 H new ATOM 1812 N GLU A 121 10.654 -7.210 1.461 1.00 0.00 N ATOM 1813 CA GLU A 121 11.235 -8.475 1.879 1.00 0.00 C ATOM 1814 C GLU A 121 10.577 -9.635 1.128 1.00 0.00 C ATOM 1815 O GLU A 121 11.237 -10.618 0.796 1.00 0.00 O ATOM 1816 CB GLU A 121 11.110 -8.661 3.392 1.00 0.00 C ATOM 1817 CG GLU A 121 11.650 -7.441 4.141 1.00 0.00 C ATOM 1818 CD GLU A 121 11.497 -7.614 5.654 1.00 0.00 C ATOM 1819 OE1 GLU A 121 11.711 -8.754 6.118 1.00 0.00 O ATOM 1820 OE2 GLU A 121 11.170 -6.602 6.310 1.00 0.00 O ATOM 0 H GLU A 121 10.225 -6.669 2.212 1.00 0.00 H new ATOM 0 HA GLU A 121 12.297 -8.464 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.065 -8.822 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.657 -9.552 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 121 12.701 -7.293 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.117 -6.546 3.818 1.00 0.00 H new ATOM 1827 N ILE A 122 9.284 -9.481 0.881 1.00 0.00 N ATOM 1828 CA ILE A 122 8.531 -10.504 0.175 1.00 0.00 C ATOM 1829 C ILE A 122 8.869 -10.442 -1.316 1.00 0.00 C ATOM 1830 O ILE A 122 8.958 -11.475 -1.978 1.00 0.00 O ATOM 1831 CB ILE A 122 7.037 -10.369 0.474 1.00 0.00 C ATOM 1832 CG1 ILE A 122 6.804 -9.892 1.909 1.00 0.00 C ATOM 1833 CG2 ILE A 122 6.298 -11.677 0.178 1.00 0.00 C ATOM 1834 CD1 ILE A 122 7.701 -10.648 2.890 1.00 0.00 C ATOM 0 H ILE A 122 8.739 -8.664 1.157 1.00 0.00 H new ATOM 0 HA ILE A 122 8.814 -11.497 0.525 1.00 0.00 H new ATOM 0 HB ILE A 122 6.625 -9.608 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 122 7.004 -8.823 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.758 -10.039 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.238 -11.554 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.422 -11.935 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.708 -12.475 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.516 -10.290 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.481 -11.714 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.746 -10.479 2.631 1.00 0.00 H new ATOM 1846 N HIS A 123 9.047 -9.221 -1.799 1.00 0.00 N ATOM 1847 CA HIS A 123 9.375 -9.012 -3.199 1.00 0.00 C ATOM 1848 C HIS A 123 10.494 -9.968 -3.614 1.00 0.00 C ATOM 1849 O HIS A 123 10.693 -10.220 -4.803 1.00 0.00 O ATOM 1850 CB HIS A 123 9.718 -7.544 -3.464 1.00 0.00 C ATOM 1851 CG HIS A 123 11.102 -7.330 -4.029 1.00 0.00 C ATOM 1852 ND1 HIS A 123 11.531 -7.920 -5.205 1.00 0.00 N ATOM 1853 CD2 HIS A 123 12.147 -6.584 -3.567 1.00 0.00 C ATOM 1854 CE1 HIS A 123 12.781 -7.541 -5.431 1.00 0.00 C ATOM 1855 NE2 HIS A 123 13.160 -6.714 -4.414 1.00 0.00 N ATOM 0 H HIS A 123 8.970 -8.367 -1.246 1.00 0.00 H new ATOM 0 HA HIS A 123 8.506 -9.238 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.986 -7.130 -4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.627 -6.986 -2.532 1.00 0.00 H new ATOM 0 HD1 HIS A 123 10.979 -8.541 -5.797 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.149 -5.989 -2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 123 13.392 -7.835 -6.272 1.00 0.00 H new ATOM 1864 N LYS A 124 11.198 -10.473 -2.613 1.00 0.00 N ATOM 1865 CA LYS A 124 12.294 -11.397 -2.858 1.00 0.00 C ATOM 1866 C LYS A 124 11.786 -12.833 -2.721 1.00 0.00 C ATOM 1867 O LYS A 124 12.555 -13.740 -2.412 1.00 0.00 O ATOM 1868 CB LYS A 124 13.479 -11.075 -1.946 1.00 0.00 C ATOM 1869 CG LYS A 124 13.768 -9.572 -1.932 1.00 0.00 C ATOM 1870 CD LYS A 124 14.830 -9.228 -0.885 1.00 0.00 C ATOM 1871 CE LYS A 124 16.203 -9.761 -1.303 1.00 0.00 C ATOM 1872 NZ LYS A 124 17.066 -9.959 -0.117 1.00 0.00 N ATOM 0 H LYS A 124 11.032 -10.260 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 124 12.665 -11.286 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.267 -11.418 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 124 14.362 -11.616 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 124 14.108 -9.254 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.851 -9.023 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.880 -8.147 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.548 -9.654 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 124 16.086 -10.704 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 124 16.677 -9.062 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 17.993 -10.321 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 17.192 -9.052 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.620 -10.644 0.526 1.00 0.00 H new ATOM 1886 N LEU A 125 10.492 -12.994 -2.960 1.00 0.00 N ATOM 1887 CA LEU A 125 9.872 -14.304 -2.868 1.00 0.00 C ATOM 1888 C LEU A 125 10.747 -15.330 -3.592 1.00 0.00 C ATOM 1889 O LEU A 125 11.697 -15.857 -3.015 1.00 0.00 O ATOM 1890 CB LEU A 125 8.432 -14.254 -3.383 1.00 0.00 C ATOM 1891 CG LEU A 125 8.105 -13.111 -4.346 1.00 0.00 C ATOM 1892 CD1 LEU A 125 9.207 -12.942 -5.393 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.729 -13.311 -4.988 1.00 0.00 C ATOM 0 H LEU A 125 9.857 -12.238 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 125 9.803 -14.619 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.212 -15.198 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.762 -14.184 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 125 8.062 -12.185 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.949 -12.123 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.151 -12.719 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 125 9.308 -13.863 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.521 -12.485 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.719 -14.249 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.966 -13.342 -4.210 1.00 0.00 H new ATOM 1905 N ASN A 126 10.397 -15.582 -4.844 1.00 0.00 N ATOM 1906 CA ASN A 126 11.137 -16.536 -5.653 1.00 0.00 C ATOM 1907 C ASN A 126 12.136 -15.781 -6.534 1.00 0.00 C ATOM 1908 O ASN A 126 13.105 -16.364 -7.017 1.00 0.00 O ATOM 1909 CB ASN A 126 10.202 -17.327 -6.568 1.00 0.00 C ATOM 1910 CG ASN A 126 10.996 -18.239 -7.506 1.00 0.00 C ATOM 1911 OD1 ASN A 126 11.406 -19.331 -7.151 1.00 0.00 O ATOM 1912 ND2 ASN A 126 11.186 -17.731 -8.721 1.00 0.00 N ATOM 0 H ASN A 126 9.609 -15.141 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 126 11.647 -17.225 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.518 -17.925 -5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.592 -16.639 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.703 -18.263 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.815 -16.809 -8.952 1.00 0.00 H new ATOM 1919 N TRP A 127 11.866 -14.498 -6.715 1.00 0.00 N ATOM 1920 CA TRP A 127 12.727 -13.659 -7.529 1.00 0.00 C ATOM 1921 C TRP A 127 13.792 -13.049 -6.617 1.00 0.00 C ATOM 1922 O TRP A 127 13.495 -12.636 -5.498 1.00 0.00 O ATOM 1923 CB TRP A 127 11.913 -12.606 -8.284 1.00 0.00 C ATOM 1924 CG TRP A 127 10.406 -12.873 -8.293 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.777 -14.041 -8.473 1.00 0.00 C ATOM 1926 CD2 TRP A 127 9.360 -11.895 -8.107 1.00 0.00 C ATOM 1927 NE1 TRP A 127 8.406 -13.891 -8.416 1.00 0.00 N ATOM 1928 CE2 TRP A 127 8.145 -12.545 -8.186 1.00 0.00 C ATOM 1929 CE3 TRP A 127 9.438 -10.511 -7.877 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 6.915 -11.890 -8.048 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 8.200 -9.871 -7.742 1.00 0.00 C ATOM 1932 CH2 TRP A 127 6.968 -10.509 -7.819 1.00 0.00 C ATOM 0 H TRP A 127 11.062 -14.018 -6.311 1.00 0.00 H new ATOM 0 HA TRP A 127 13.224 -14.250 -8.299 1.00 0.00 H new ATOM 0 HB2 TRP A 127 12.096 -11.630 -7.835 1.00 0.00 H new ATOM 0 HB3 TRP A 127 12.269 -12.556 -9.313 1.00 0.00 H new ATOM 0 HD1 TRP A 127 10.279 -14.982 -8.642 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.712 -14.631 -8.523 1.00 0.00 H new ATOM 0 HE3 TRP A 127 10.378 -9.983 -7.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.977 -12.421 -8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 8.203 -8.806 -7.565 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.056 -9.943 -7.703 1.00 0.00 H new ATOM 1943 N VAL A 128 15.014 -13.013 -7.129 1.00 0.00 N ATOM 1944 CA VAL A 128 16.125 -12.461 -6.373 1.00 0.00 C ATOM 1945 C VAL A 128 16.713 -11.271 -7.135 1.00 0.00 C ATOM 1946 O VAL A 128 17.218 -11.428 -8.246 1.00 0.00 O ATOM 1947 CB VAL A 128 17.157 -13.554 -6.085 1.00 0.00 C ATOM 1948 CG1 VAL A 128 16.576 -14.627 -5.162 1.00 0.00 C ATOM 1949 CG2 VAL A 128 17.679 -14.173 -7.385 1.00 0.00 C ATOM 0 H VAL A 128 15.259 -13.357 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 128 15.783 -12.092 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 128 18.000 -13.091 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 128 17.330 -15.392 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 128 16.277 -14.172 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.707 -15.083 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 128 18.411 -14.947 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.849 -14.613 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 128 18.150 -13.400 -7.993 1.00 0.00 H new ATOM 1959 N PRO A 129 16.627 -10.076 -6.490 1.00 0.00 N ATOM 1960 CA PRO A 129 17.143 -8.860 -7.095 1.00 0.00 C ATOM 1961 C PRO A 129 18.672 -8.823 -7.031 1.00 0.00 C ATOM 1962 O PRO A 129 19.255 -7.831 -6.595 1.00 0.00 O ATOM 1963 CB PRO A 129 16.489 -7.728 -6.322 1.00 0.00 C ATOM 1964 CG PRO A 129 15.996 -8.341 -5.022 1.00 0.00 C ATOM 1965 CD PRO A 129 16.037 -9.853 -5.173 1.00 0.00 C ATOM 0 HA PRO A 129 16.909 -8.786 -8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 129 17.200 -6.925 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 129 15.664 -7.295 -6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 129 16.623 -8.024 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 129 14.982 -8.007 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 129 16.636 -10.314 -4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.038 -10.285 -5.108 1.00 0.00 H new ATOM 1973 N ASN A 130 19.278 -9.917 -7.471 1.00 0.00 N ATOM 1974 CA ASN A 130 20.727 -10.021 -7.469 1.00 0.00 C ATOM 1975 C ASN A 130 21.332 -8.683 -7.901 1.00 0.00 C ATOM 1976 O ASN A 130 22.432 -8.330 -7.480 1.00 0.00 O ATOM 1977 CB ASN A 130 21.204 -11.094 -8.451 1.00 0.00 C ATOM 1978 CG ASN A 130 20.770 -10.759 -9.880 1.00 0.00 C ATOM 1979 OD1 ASN A 130 19.607 -10.523 -10.164 1.00 0.00 O ATOM 1980 ND2 ASN A 130 21.767 -10.754 -10.760 1.00 0.00 N ATOM 0 H ASN A 130 18.792 -10.738 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 130 21.044 -10.288 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 130 22.290 -11.176 -8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 130 20.799 -12.064 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 130 21.581 -10.544 -11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 130 22.718 -10.960 -10.454 1.00 0.00 H new ATOM 1987 N MET A 131 20.584 -7.974 -8.735 1.00 0.00 N ATOM 1988 CA MET A 131 21.032 -6.684 -9.228 1.00 0.00 C ATOM 1989 C MET A 131 20.170 -5.552 -8.666 1.00 0.00 C ATOM 1990 O MET A 131 19.033 -5.361 -9.095 1.00 0.00 O ATOM 1991 CB MET A 131 20.962 -6.669 -10.757 1.00 0.00 C ATOM 1992 CG MET A 131 22.094 -5.827 -11.349 1.00 0.00 C ATOM 1993 SD MET A 131 21.507 -4.928 -12.775 1.00 0.00 S ATOM 1994 CE MET A 131 23.050 -4.269 -13.384 1.00 0.00 C ATOM 0 H MET A 131 19.671 -8.269 -9.081 1.00 0.00 H new ATOM 0 HA MET A 131 22.060 -6.529 -8.901 1.00 0.00 H new ATOM 0 HB2 MET A 131 21.025 -7.688 -11.138 1.00 0.00 H new ATOM 0 HB3 MET A 131 20.000 -6.268 -11.077 1.00 0.00 H new ATOM 0 HG2 MET A 131 22.470 -5.131 -10.600 1.00 0.00 H new ATOM 0 HG3 MET A 131 22.927 -6.471 -11.632 1.00 0.00 H new ATOM 0 HE1 MET A 131 22.864 -3.676 -14.280 1.00 0.00 H new ATOM 0 HE2 MET A 131 23.503 -3.638 -12.619 1.00 0.00 H new ATOM 0 HE3 MET A 131 23.726 -5.089 -13.626 1.00 0.00 H new ATOM 2004 N ASP A 132 20.743 -4.831 -7.713 1.00 0.00 N ATOM 2005 CA ASP A 132 20.041 -3.724 -7.087 1.00 0.00 C ATOM 2006 C ASP A 132 20.937 -2.483 -7.102 1.00 0.00 C ATOM 2007 O ASP A 132 22.054 -2.515 -6.585 1.00 0.00 O ATOM 2008 CB ASP A 132 19.696 -4.043 -5.631 1.00 0.00 C ATOM 2009 CG ASP A 132 18.224 -4.361 -5.370 1.00 0.00 C ATOM 2010 OD1 ASP A 132 17.393 -3.922 -6.194 1.00 0.00 O ATOM 2011 OD2 ASP A 132 17.962 -5.037 -4.352 1.00 0.00 O ATOM 0 H ASP A 132 21.686 -4.992 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 132 19.121 -3.550 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 132 20.298 -4.892 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 132 19.984 -3.194 -5.011 1.00 0.00 H new ATOM 2016 N LEU A 133 20.414 -1.423 -7.697 1.00 0.00 N ATOM 2017 CA LEU A 133 21.153 -0.174 -7.783 1.00 0.00 C ATOM 2018 C LEU A 133 20.182 0.968 -8.093 1.00 0.00 C ATOM 2019 O LEU A 133 19.455 0.917 -9.083 1.00 0.00 O ATOM 2020 CB LEU A 133 22.297 -0.298 -8.791 1.00 0.00 C ATOM 2021 CG LEU A 133 21.975 0.123 -10.228 1.00 0.00 C ATOM 2022 CD1 LEU A 133 20.742 -0.617 -10.751 1.00 0.00 C ATOM 2023 CD2 LEU A 133 21.821 1.641 -10.332 1.00 0.00 C ATOM 0 H LEU A 133 19.488 -1.402 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 133 21.623 0.057 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 133 23.134 0.303 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 133 22.633 -1.335 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 133 22.814 -0.159 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 133 20.534 -0.301 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 133 20.928 -1.691 -10.734 1.00 0.00 H new ATOM 0 HD13 LEU A 133 19.884 -0.387 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 133 21.593 1.914 -11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 133 21.011 1.970 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 133 22.750 2.123 -10.026 1.00 0.00 H new ATOM 2035 N VAL A 134 20.203 1.971 -7.226 1.00 0.00 N ATOM 2036 CA VAL A 134 19.334 3.123 -7.395 1.00 0.00 C ATOM 2037 C VAL A 134 20.188 4.366 -7.651 1.00 0.00 C ATOM 2038 O VAL A 134 20.051 5.013 -8.688 1.00 0.00 O ATOM 2039 CB VAL A 134 18.417 3.268 -6.178 1.00 0.00 C ATOM 2040 CG1 VAL A 134 17.611 4.566 -6.253 1.00 0.00 C ATOM 2041 CG2 VAL A 134 17.492 2.056 -6.043 1.00 0.00 C ATOM 0 H VAL A 134 20.808 2.009 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 134 18.685 2.990 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 134 19.044 3.313 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 134 16.967 4.646 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 134 18.292 5.416 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 134 16.998 4.562 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 134 16.851 2.183 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 134 16.875 1.968 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 134 18.091 1.153 -5.924 1.00 0.00 H new ATOM 2051 N ILE A 135 21.048 4.663 -6.688 1.00 0.00 N ATOM 2052 CA ILE A 135 21.924 5.818 -6.797 1.00 0.00 C ATOM 2053 C ILE A 135 23.347 5.346 -7.105 1.00 0.00 C ATOM 2054 O ILE A 135 24.196 6.142 -7.501 1.00 0.00 O ATOM 2055 CB ILE A 135 21.820 6.688 -5.544 1.00 0.00 C ATOM 2056 CG1 ILE A 135 21.777 5.826 -4.279 1.00 0.00 C ATOM 2057 CG2 ILE A 135 20.625 7.637 -5.631 1.00 0.00 C ATOM 2058 CD1 ILE A 135 20.341 5.419 -3.943 1.00 0.00 C ATOM 0 H ILE A 135 21.157 4.124 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 135 21.615 6.456 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 135 22.716 7.305 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 135 22.388 4.935 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 135 22.208 6.378 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 135 20.575 8.243 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 135 20.739 8.287 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 135 19.707 7.058 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 135 20.338 4.808 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 135 19.739 6.312 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 135 19.922 4.847 -4.771 1.00 0.00 H new ATOM 2070 N GLY A 136 23.563 4.055 -6.908 1.00 0.00 N ATOM 2071 CA GLY A 136 24.869 3.467 -7.159 1.00 0.00 C ATOM 2072 C GLY A 136 25.797 3.660 -5.958 1.00 0.00 C ATOM 2073 O GLY A 136 27.018 3.648 -6.103 1.00 0.00 O ATOM 0 H GLY A 136 22.856 3.398 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.758 2.403 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.313 3.923 -8.044 1.00 0.00 H new ATOM 2077 N GLU A 137 25.181 3.835 -4.797 1.00 0.00 N ATOM 2078 CA GLU A 137 25.936 4.030 -3.571 1.00 0.00 C ATOM 2079 C GLU A 137 25.888 2.766 -2.712 1.00 0.00 C ATOM 2080 O GLU A 137 25.184 1.813 -3.041 1.00 0.00 O ATOM 2081 CB GLU A 137 25.418 5.241 -2.795 1.00 0.00 C ATOM 2082 CG GLU A 137 26.362 6.435 -2.945 1.00 0.00 C ATOM 2083 CD GLU A 137 26.494 7.199 -1.624 1.00 0.00 C ATOM 2084 OE1 GLU A 137 25.662 8.105 -1.407 1.00 0.00 O ATOM 2085 OE2 GLU A 137 27.426 6.858 -0.864 1.00 0.00 O ATOM 0 H GLU A 137 24.168 3.846 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 137 26.975 4.227 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 137 24.425 5.511 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 137 25.315 4.985 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 137 27.344 6.089 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 137 25.988 7.104 -3.720 1.00 0.00 H new ATOM 2092 N VAL A 138 26.647 2.798 -1.626 1.00 0.00 N ATOM 2093 CA VAL A 138 26.701 1.666 -0.716 1.00 0.00 C ATOM 2094 C VAL A 138 25.333 1.483 -0.056 1.00 0.00 C ATOM 2095 O VAL A 138 24.998 2.190 0.895 1.00 0.00 O ATOM 2096 CB VAL A 138 27.832 1.860 0.296 1.00 0.00 C ATOM 2097 CG1 VAL A 138 29.160 2.133 -0.413 1.00 0.00 C ATOM 2098 CG2 VAL A 138 27.497 2.980 1.283 1.00 0.00 C ATOM 0 H VAL A 138 27.230 3.590 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 138 26.925 0.749 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 138 27.938 0.935 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 138 29.947 2.267 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 138 29.408 1.290 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 138 29.072 3.037 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 138 28.317 3.098 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 138 27.351 3.913 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 138 26.584 2.728 1.823 1.00 0.00 H new ATOM 2108 N LEU A 139 24.578 0.530 -0.585 1.00 0.00 N ATOM 2109 CA LEU A 139 23.253 0.247 -0.059 1.00 0.00 C ATOM 2110 C LEU A 139 22.592 -0.836 -0.914 1.00 0.00 C ATOM 2111 O LEU A 139 22.035 -1.795 -0.384 1.00 0.00 O ATOM 2112 CB LEU A 139 22.433 1.533 0.049 1.00 0.00 C ATOM 2113 CG LEU A 139 21.744 1.778 1.394 1.00 0.00 C ATOM 2114 CD1 LEU A 139 20.737 0.670 1.704 1.00 0.00 C ATOM 2115 CD2 LEU A 139 22.773 1.946 2.513 1.00 0.00 C ATOM 0 H LEU A 139 24.859 -0.055 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 139 23.321 -0.145 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 139 23.089 2.378 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 139 21.671 1.521 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 139 21.185 2.711 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 139 20.262 0.868 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 139 19.977 0.640 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 139 21.253 -0.289 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.258 2.119 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 139 23.378 1.043 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 139 23.417 2.796 2.290 1.00 0.00 H new ATOM 2127 N ALA A 140 22.676 -0.645 -2.223 1.00 0.00 N ATOM 2128 CA ALA A 140 22.092 -1.594 -3.156 1.00 0.00 C ATOM 2129 C ALA A 140 23.132 -2.657 -3.514 1.00 0.00 C ATOM 2130 O ALA A 140 24.322 -2.476 -3.259 1.00 0.00 O ATOM 2131 CB ALA A 140 21.576 -0.846 -4.388 1.00 0.00 C ATOM 0 H ALA A 140 23.139 0.152 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 140 21.242 -2.104 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 140 21.138 -1.557 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 140 20.819 -0.123 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 140 22.403 -0.325 -4.870 1.00 0.00 H new ATOM 2137 N GLU A 141 22.645 -3.742 -4.099 1.00 0.00 N ATOM 2138 CA GLU A 141 23.518 -4.835 -4.494 1.00 0.00 C ATOM 2139 C GLU A 141 24.349 -4.435 -5.715 1.00 0.00 C ATOM 2140 O GLU A 141 23.972 -4.729 -6.849 1.00 0.00 O ATOM 2141 CB GLU A 141 22.713 -6.107 -4.768 1.00 0.00 C ATOM 2142 CG GLU A 141 23.368 -7.323 -4.108 1.00 0.00 C ATOM 2143 CD GLU A 141 24.816 -7.486 -4.575 1.00 0.00 C ATOM 2144 OE1 GLU A 141 25.000 -7.703 -5.792 1.00 0.00 O ATOM 2145 OE2 GLU A 141 25.708 -7.390 -3.703 1.00 0.00 O ATOM 0 H GLU A 141 21.657 -3.888 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 141 24.200 -5.048 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 141 21.697 -5.987 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 141 22.637 -6.269 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 141 23.342 -7.211 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 141 22.801 -8.222 -4.349 1.00 0.00 H new ATOM 2152 N VAL A 142 25.461 -3.771 -5.443 1.00 0.00 N ATOM 2153 CA VAL A 142 26.348 -3.329 -6.506 1.00 0.00 C ATOM 2154 C VAL A 142 27.324 -4.455 -6.852 1.00 0.00 C ATOM 2155 O VAL A 142 28.199 -4.791 -6.054 1.00 0.00 O ATOM 2156 CB VAL A 142 27.051 -2.033 -6.096 1.00 0.00 C ATOM 2157 CG1 VAL A 142 28.091 -1.620 -7.138 1.00 0.00 C ATOM 2158 CG2 VAL A 142 26.038 -0.911 -5.859 1.00 0.00 C ATOM 0 H VAL A 142 25.769 -3.528 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 142 25.780 -3.103 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 142 27.573 -2.218 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 142 28.576 -0.696 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 142 28.839 -2.407 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 142 27.601 -1.462 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 142 26.564 -0.001 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 142 25.476 -0.729 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 142 25.352 -1.202 -5.064 1.00 0.00 H new TER 2168 VAL A 142