USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1072 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 1 SER OG : rot -80:sc= 1.04 USER MOD Set 1.2: A 130 ASN : amide:sc= 0.85 K(o=1.9,f=-0.66) USER MOD Set 2.1: A 78 MET CE :methyl 142:sc= -1.9 (180deg=-3.99!) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.974 K(o=-2.9,f=-5.2!) USER MOD Set 3.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 89 GLN : amide:sc= -0.385 K(o=-0.38,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 158:sc= 1.09 (180deg=-0.358) USER MOD Single : A 5 MET CE :methyl -136:sc= -2.35! (180deg=-5.37!) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.052) USER MOD Single : A 7 ASN : amide:sc= -0.903 K(o=-0.9,f=0) USER MOD Single : A 9 SER OG : rot 102:sc= 0.421 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 11 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.015) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -162:sc= -0.128 (180deg=-0.567) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00581) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 6:sc= 0.27 USER MOD Single : A 35 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -122:sc= 1.27 USER MOD Single : A 43 MET CE :methyl -130:sc= -2.08! (180deg=-4.05!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.042) USER MOD Single : A 57 THR OG1 : rot 135:sc= 0.113 USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -2.11! (180deg=-2.63!) USER MOD Single : A 67 ASN : amide:sc= -2.71! C(o=-2.7!,f=-1.2!) USER MOD Single : A 69 HIS : no HE2:sc= -0.358 K(o=-0.36,f=-7.5!) USER MOD Single : A 70 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-0.18) USER MOD Single : A 72 ASN : amide:sc= -1.15 K(o=-1.2,f=-2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.129 (180deg=-0.713) USER MOD Single : A 80 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.18) USER MOD Single : A 86 MET CE :methyl -115:sc= -1.77 (180deg=-2.41) USER MOD Single : A 95 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=0) 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= -0.929 K(o=-0.93,f=-0.12) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -164:sc= -0.0623 (180deg=-0.361) USER MOD Single : A 110 LYS NZ :NH3+ -142:sc= 1.24 (180deg=0.95) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 159:sc=-0.00971 (180deg=-0.867) USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0476) USER MOD Single : A 120 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0217) USER MOD Single : A 123 HIS : no HD1:sc= -0.615 X(o=-0.62,f=-0.44) USER MOD Single : A 124 LYS NZ :NH3+ 172:sc= 1.27 (180deg=0.95) USER MOD Single : A 126 ASN : amide:sc= -0.002 X(o=-0.002,f=0) USER MOD Single : A 131 MET CE :methyl -166:sc= -0.121 (180deg=-0.645) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.382 -15.897 -2.501 1.00 0.00 N ATOM 2 CA SER A 1 -7.793 -15.471 -1.150 1.00 0.00 C ATOM 3 C SER A 1 -8.275 -14.019 -1.176 1.00 0.00 C ATOM 4 O SER A 1 -7.464 -13.092 -1.204 1.00 0.00 O ATOM 5 CB SER A 1 -6.615 -15.626 -0.189 1.00 0.00 C ATOM 6 OG SER A 1 -5.961 -16.867 -0.400 1.00 0.00 O ATOM 0 H1 SER A 1 -6.731 -16.705 -2.427 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.222 -16.177 -3.047 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.903 -15.110 -2.983 1.00 0.00 H new ATOM 0 HA SER A 1 -8.617 -16.098 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.910 -14.808 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.968 -15.565 0.841 1.00 0.00 H new ATOM 0 HG SER A 1 -6.464 -17.581 0.044 1.00 0.00 H new ATOM 14 N PRO A 2 -9.604 -13.803 -1.192 1.00 0.00 N ATOM 15 CA PRO A 2 -10.203 -12.457 -1.217 1.00 0.00 C ATOM 16 C PRO A 2 -9.879 -11.648 0.041 1.00 0.00 C ATOM 17 O PRO A 2 -9.952 -10.417 0.041 1.00 0.00 O ATOM 18 CB PRO A 2 -11.711 -12.730 -1.301 1.00 0.00 C ATOM 19 CG PRO A 2 -11.827 -14.142 -1.764 1.00 0.00 C ATOM 20 CD PRO A 2 -10.632 -14.855 -1.206 1.00 0.00 C ATOM 0 HA PRO A 2 -9.818 -11.862 -2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.191 -12.593 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.197 -12.046 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.753 -14.595 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.842 -14.197 -2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.824 -15.246 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.338 -15.700 -1.828 1.00 0.00 H new ATOM 28 N GLU A 3 -9.525 -12.363 1.103 1.00 0.00 N ATOM 29 CA GLU A 3 -9.159 -11.763 2.388 1.00 0.00 C ATOM 30 C GLU A 3 -8.127 -10.650 2.216 1.00 0.00 C ATOM 31 O GLU A 3 -8.435 -9.475 2.418 1.00 0.00 O ATOM 32 CB GLU A 3 -8.600 -12.823 3.348 1.00 0.00 C ATOM 33 CG GLU A 3 -9.576 -13.939 3.703 1.00 0.00 C ATOM 34 CD GLU A 3 -9.938 -14.799 2.511 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.075 -15.566 2.042 1.00 0.00 O ATOM 36 OE2 GLU A 3 -11.082 -14.694 2.025 1.00 0.00 O ATOM 0 H GLU A 3 -9.483 -13.382 1.100 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.069 -11.335 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.710 -13.266 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.283 -12.330 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.137 -14.567 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.484 -13.503 4.121 1.00 0.00 H new ATOM 43 N ILE A 4 -6.903 -11.021 1.844 1.00 0.00 N ATOM 44 CA ILE A 4 -5.840 -10.051 1.662 1.00 0.00 C ATOM 45 C ILE A 4 -5.986 -9.312 0.327 1.00 0.00 C ATOM 46 O ILE A 4 -5.314 -8.311 0.078 1.00 0.00 O ATOM 47 CB ILE A 4 -4.457 -10.729 1.758 1.00 0.00 C ATOM 48 CG1 ILE A 4 -3.340 -9.689 1.861 1.00 0.00 C ATOM 49 CG2 ILE A 4 -4.226 -11.642 0.567 1.00 0.00 C ATOM 50 CD1 ILE A 4 -3.425 -8.826 3.104 1.00 0.00 C ATOM 0 H ILE A 4 -6.629 -11.987 1.664 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.920 -9.317 2.464 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.441 -11.332 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.377 -10.200 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.371 -9.047 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.246 -12.111 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.996 -12.413 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.270 -11.059 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.601 -8.113 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.372 -8.287 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.363 -9.457 3.990 1.00 0.00 H new ATOM 62 N MET A 5 -6.883 -9.806 -0.521 1.00 0.00 N ATOM 63 CA MET A 5 -7.127 -9.201 -1.822 1.00 0.00 C ATOM 64 C MET A 5 -7.717 -7.808 -1.648 1.00 0.00 C ATOM 65 O MET A 5 -7.373 -6.876 -2.375 1.00 0.00 O ATOM 66 CB MET A 5 -8.082 -10.079 -2.629 1.00 0.00 C ATOM 67 CG MET A 5 -8.185 -9.717 -4.108 1.00 0.00 C ATOM 68 SD MET A 5 -6.741 -10.218 -5.076 1.00 0.00 S ATOM 69 CE MET A 5 -5.539 -8.964 -4.629 1.00 0.00 C ATOM 0 H MET A 5 -7.455 -10.628 -0.327 1.00 0.00 H new ATOM 0 HA MET A 5 -6.182 -9.116 -2.359 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.759 -11.117 -2.545 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.075 -10.017 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.075 -10.187 -4.528 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.319 -8.639 -4.202 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.020 -8.622 -5.524 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.049 -8.122 -4.161 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.817 -9.385 -3.930 1.00 0.00 H new ATOM 79 N LYS A 6 -8.609 -7.678 -0.676 1.00 0.00 N ATOM 80 CA LYS A 6 -9.168 -6.383 -0.328 1.00 0.00 C ATOM 81 C LYS A 6 -8.211 -5.641 0.597 1.00 0.00 C ATOM 82 O LYS A 6 -8.111 -5.960 1.784 1.00 0.00 O ATOM 83 CB LYS A 6 -10.533 -6.537 0.346 1.00 0.00 C ATOM 84 CG LYS A 6 -11.593 -7.171 -0.541 1.00 0.00 C ATOM 85 CD LYS A 6 -12.945 -7.204 0.156 1.00 0.00 C ATOM 86 CE LYS A 6 -14.028 -7.784 -0.743 1.00 0.00 C ATOM 87 NZ LYS A 6 -13.791 -9.219 -1.063 1.00 0.00 N ATOM 0 H LYS A 6 -8.960 -8.455 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.305 -5.810 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.417 -7.142 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.882 -5.555 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.675 -6.611 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.292 -8.185 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.871 -7.799 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.224 -6.194 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.997 -7.679 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.074 -7.211 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.604 -9.596 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.931 -9.308 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.673 -9.756 -0.181 1.00 0.00 H new ATOM 101 N ASN A 7 -7.496 -4.669 0.047 1.00 0.00 N ATOM 102 CA ASN A 7 -6.525 -3.897 0.816 1.00 0.00 C ATOM 103 C ASN A 7 -7.222 -3.110 1.915 1.00 0.00 C ATOM 104 O ASN A 7 -8.365 -2.685 1.749 1.00 0.00 O ATOM 105 CB ASN A 7 -5.747 -2.938 -0.092 1.00 0.00 C ATOM 106 CG ASN A 7 -4.980 -3.644 -1.196 1.00 0.00 C ATOM 107 OD1 ASN A 7 -4.764 -3.081 -2.266 1.00 0.00 O ATOM 108 ND2 ASN A 7 -4.568 -4.880 -0.950 1.00 0.00 N ATOM 0 H ASN A 7 -7.570 -4.394 -0.933 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.823 -4.597 1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.443 -2.228 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.049 -2.361 0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.052 -5.397 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.767 -5.314 -0.049 1.00 0.00 H new ATOM 115 N LEU A 8 -6.526 -2.909 3.027 1.00 0.00 N ATOM 116 CA LEU A 8 -7.100 -2.237 4.187 1.00 0.00 C ATOM 117 C LEU A 8 -7.569 -0.831 3.830 1.00 0.00 C ATOM 118 O LEU A 8 -8.721 -0.475 4.071 1.00 0.00 O ATOM 119 CB LEU A 8 -6.084 -2.163 5.334 1.00 0.00 C ATOM 120 CG LEU A 8 -5.871 -3.460 6.131 1.00 0.00 C ATOM 121 CD1 LEU A 8 -5.222 -4.545 5.283 1.00 0.00 C ATOM 122 CD2 LEU A 8 -5.030 -3.181 7.364 1.00 0.00 C ATOM 0 H LEU A 8 -5.557 -3.204 3.151 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.960 -2.823 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.124 -1.851 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.403 -1.383 6.026 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.851 -3.826 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.089 -5.445 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.861 -4.770 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.251 -4.198 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.885 -4.106 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.061 -2.784 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.540 -2.453 7.995 1.00 0.00 H new ATOM 134 N SER A 9 -6.676 -0.049 3.236 1.00 0.00 N ATOM 135 CA SER A 9 -6.989 1.323 2.856 1.00 0.00 C ATOM 136 C SER A 9 -8.100 1.354 1.809 1.00 0.00 C ATOM 137 O SER A 9 -8.928 2.268 1.793 1.00 0.00 O ATOM 138 CB SER A 9 -5.738 2.016 2.315 1.00 0.00 C ATOM 139 OG SER A 9 -4.644 1.868 3.209 1.00 0.00 O ATOM 0 H SER A 9 -5.727 -0.343 3.006 1.00 0.00 H new ATOM 0 HA SER A 9 -7.336 1.855 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.477 1.596 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.944 3.075 2.159 1.00 0.00 H new ATOM 0 HG SER A 9 -4.040 1.173 2.874 1.00 0.00 H new ATOM 145 N ASN A 10 -8.121 0.339 0.952 1.00 0.00 N ATOM 146 CA ASN A 10 -9.115 0.247 -0.113 1.00 0.00 C ATOM 147 C ASN A 10 -10.484 -0.102 0.461 1.00 0.00 C ATOM 148 O ASN A 10 -11.510 0.409 0.010 1.00 0.00 O ATOM 149 CB ASN A 10 -8.680 -0.807 -1.140 1.00 0.00 C ATOM 150 CG ASN A 10 -9.664 -0.970 -2.286 1.00 0.00 C ATOM 151 OD1 ASN A 10 -10.372 -0.035 -2.653 1.00 0.00 O ATOM 152 ND2 ASN A 10 -9.706 -2.159 -2.868 1.00 0.00 N ATOM 0 H ASN A 10 -7.458 -0.436 0.974 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.191 1.215 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.706 -0.531 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.557 -1.766 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.342 -2.322 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.103 -2.911 -2.535 1.00 0.00 H new ATOM 159 N ASN A 11 -10.492 -0.957 1.479 1.00 0.00 N ATOM 160 CA ASN A 11 -11.731 -1.339 2.141 1.00 0.00 C ATOM 161 C ASN A 11 -12.287 -0.155 2.921 1.00 0.00 C ATOM 162 O ASN A 11 -13.449 0.216 2.754 1.00 0.00 O ATOM 163 CB ASN A 11 -11.512 -2.525 3.082 1.00 0.00 C ATOM 164 CG ASN A 11 -12.821 -3.087 3.607 1.00 0.00 C ATOM 165 OD1 ASN A 11 -12.916 -3.502 4.762 1.00 0.00 O ATOM 166 ND2 ASN A 11 -13.833 -3.128 2.753 1.00 0.00 N ATOM 0 H ASN A 11 -9.655 -1.397 1.862 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.447 -1.640 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.967 -3.309 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.890 -2.212 3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.731 -3.514 3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.714 -2.774 1.804 1.00 0.00 H new ATOM 173 N PHE A 12 -11.452 0.401 3.800 1.00 0.00 N ATOM 174 CA PHE A 12 -11.765 1.661 4.489 1.00 0.00 C ATOM 175 C PHE A 12 -12.336 2.728 3.541 1.00 0.00 C ATOM 176 O PHE A 12 -13.518 3.069 3.643 1.00 0.00 O ATOM 177 CB PHE A 12 -10.524 2.213 5.201 1.00 0.00 C ATOM 178 CG PHE A 12 -10.307 1.643 6.574 1.00 0.00 C ATOM 179 CD1 PHE A 12 -9.583 0.477 6.756 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.832 2.280 7.687 1.00 0.00 C ATOM 181 CE1 PHE A 12 -9.384 -0.043 8.021 1.00 0.00 C ATOM 182 CE2 PHE A 12 -10.637 1.766 8.953 1.00 0.00 C ATOM 183 CZ PHE A 12 -9.913 0.602 9.121 1.00 0.00 C ATOM 0 H PHE A 12 -10.550 -0.001 4.055 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.535 1.428 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.645 2.008 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.613 3.297 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.169 -0.033 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.401 3.190 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.816 -0.952 8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.050 2.274 9.812 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.761 0.197 10.111 1.00 0.00 H new ATOM 193 N GLY A 13 -11.510 3.259 2.626 1.00 0.00 N ATOM 194 CA GLY A 13 -11.975 4.281 1.702 1.00 0.00 C ATOM 195 C GLY A 13 -12.559 5.514 2.382 1.00 0.00 C ATOM 196 O GLY A 13 -13.491 6.117 1.857 1.00 0.00 O ATOM 0 H GLY A 13 -10.531 2.996 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.143 4.588 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.731 3.847 1.048 1.00 0.00 H new ATOM 200 N LYS A 14 -12.022 5.892 3.543 1.00 0.00 N ATOM 201 CA LYS A 14 -12.500 7.067 4.258 1.00 0.00 C ATOM 202 C LYS A 14 -12.161 8.323 3.460 1.00 0.00 C ATOM 203 O LYS A 14 -13.036 9.132 3.158 1.00 0.00 O ATOM 204 CB LYS A 14 -11.873 7.108 5.660 1.00 0.00 C ATOM 205 CG LYS A 14 -12.551 8.062 6.640 1.00 0.00 C ATOM 206 CD LYS A 14 -12.149 9.508 6.407 1.00 0.00 C ATOM 207 CE LYS A 14 -12.740 10.425 7.465 1.00 0.00 C ATOM 208 NZ LYS A 14 -12.348 11.842 7.255 1.00 0.00 N ATOM 0 H LYS A 14 -11.257 5.400 4.004 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.583 7.019 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.894 6.103 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.825 7.392 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.633 7.968 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.294 7.775 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.062 9.591 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.484 9.826 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.827 10.343 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.410 10.100 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.772 12.433 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.312 11.925 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.685 12.161 6.324 1.00 0.00 H new ATOM 222 N ALA A 15 -10.890 8.471 3.111 1.00 0.00 N ATOM 223 CA ALA A 15 -10.454 9.591 2.295 1.00 0.00 C ATOM 224 C ALA A 15 -9.335 9.178 1.352 1.00 0.00 C ATOM 225 O ALA A 15 -8.154 9.281 1.683 1.00 0.00 O ATOM 226 CB ALA A 15 -10.005 10.756 3.164 1.00 0.00 C ATOM 0 H ALA A 15 -10.145 7.829 3.381 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.306 9.914 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.684 11.581 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.834 11.083 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.175 10.440 3.796 1.00 0.00 H new ATOM 232 N MET A 16 -9.715 8.695 0.178 1.00 0.00 N ATOM 233 CA MET A 16 -8.743 8.364 -0.854 1.00 0.00 C ATOM 234 C MET A 16 -8.134 9.647 -1.398 1.00 0.00 C ATOM 235 O MET A 16 -6.945 9.710 -1.705 1.00 0.00 O ATOM 236 CB MET A 16 -9.407 7.572 -1.986 1.00 0.00 C ATOM 237 CG MET A 16 -8.457 7.210 -3.120 1.00 0.00 C ATOM 238 SD MET A 16 -9.273 6.329 -4.465 1.00 0.00 S ATOM 239 CE MET A 16 -9.797 4.834 -3.625 1.00 0.00 C ATOM 0 H MET A 16 -10.686 8.524 -0.083 1.00 0.00 H new ATOM 0 HA MET A 16 -7.959 7.743 -0.420 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.834 6.657 -1.575 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.234 8.156 -2.389 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.003 8.120 -3.511 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.648 6.594 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.023 4.063 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.999 4.486 -2.969 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.688 5.043 -3.033 1.00 0.00 H new ATOM 249 N ASP A 17 -8.968 10.677 -1.470 1.00 0.00 N ATOM 250 CA ASP A 17 -8.554 11.985 -1.961 1.00 0.00 C ATOM 251 C ASP A 17 -7.522 12.623 -1.047 1.00 0.00 C ATOM 252 O ASP A 17 -6.582 13.265 -1.513 1.00 0.00 O ATOM 253 CB ASP A 17 -9.766 12.907 -2.090 1.00 0.00 C ATOM 254 CG ASP A 17 -9.379 14.330 -2.444 1.00 0.00 C ATOM 255 OD1 ASP A 17 -8.985 14.570 -3.607 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.495 15.217 -1.569 1.00 0.00 O ATOM 0 H ASP A 17 -9.948 10.629 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.098 11.841 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.436 12.515 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.320 12.907 -1.151 1.00 0.00 H new ATOM 261 N GLN A 18 -7.667 12.418 0.251 1.00 0.00 N ATOM 262 CA GLN A 18 -6.817 13.130 1.192 1.00 0.00 C ATOM 263 C GLN A 18 -5.538 12.357 1.482 1.00 0.00 C ATOM 264 O GLN A 18 -4.516 12.950 1.820 1.00 0.00 O ATOM 265 CB GLN A 18 -7.572 13.484 2.472 1.00 0.00 C ATOM 266 CG GLN A 18 -8.609 14.580 2.256 1.00 0.00 C ATOM 267 CD GLN A 18 -8.919 15.353 3.519 1.00 0.00 C ATOM 268 OE1 GLN A 18 -8.858 14.819 4.626 1.00 0.00 O ATOM 269 NE2 GLN A 18 -9.257 16.619 3.357 1.00 0.00 N ATOM 0 H GLN A 18 -8.346 11.782 0.670 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.524 14.070 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.066 12.592 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.860 13.807 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.248 15.270 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.527 14.134 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.295 17.021 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.480 17.195 4.169 1.00 0.00 H new ATOM 278 N CYS A 19 -5.577 11.040 1.318 1.00 0.00 N ATOM 279 CA CYS A 19 -4.353 10.256 1.363 1.00 0.00 C ATOM 280 C CYS A 19 -3.516 10.590 0.133 1.00 0.00 C ATOM 281 O CYS A 19 -2.289 10.673 0.194 1.00 0.00 O ATOM 282 CB CYS A 19 -4.657 8.757 1.412 1.00 0.00 C ATOM 283 SG CYS A 19 -3.825 7.890 2.782 1.00 0.00 S ATOM 0 H CYS A 19 -6.428 10.502 1.155 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.800 10.505 2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.734 8.616 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.355 8.302 0.468 1.00 0.00 H new ATOM 288 N LYS A 20 -4.219 10.825 -0.972 1.00 0.00 N ATOM 289 CA LYS A 20 -3.611 11.244 -2.225 1.00 0.00 C ATOM 290 C LYS A 20 -2.905 12.591 -2.038 1.00 0.00 C ATOM 291 O LYS A 20 -1.751 12.762 -2.435 1.00 0.00 O ATOM 292 CB LYS A 20 -4.713 11.346 -3.293 1.00 0.00 C ATOM 293 CG LYS A 20 -4.219 11.348 -4.732 1.00 0.00 C ATOM 294 CD LYS A 20 -3.542 12.651 -5.108 1.00 0.00 C ATOM 295 CE LYS A 20 -4.295 13.379 -6.209 1.00 0.00 C ATOM 296 NZ LYS A 20 -5.645 13.818 -5.771 1.00 0.00 N ATOM 0 H LYS A 20 -5.233 10.728 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.865 10.516 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.402 10.511 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.282 12.259 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.520 10.524 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.060 11.172 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.473 13.292 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.522 12.450 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.718 14.247 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.391 12.724 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.095 14.368 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.228 12.984 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.559 14.409 -4.920 1.00 0.00 H new ATOM 310 N ASP A 21 -3.592 13.532 -1.400 1.00 0.00 N ATOM 311 CA ASP A 21 -3.066 14.884 -1.226 1.00 0.00 C ATOM 312 C ASP A 21 -1.893 14.916 -0.253 1.00 0.00 C ATOM 313 O ASP A 21 -0.877 15.562 -0.519 1.00 0.00 O ATOM 314 CB ASP A 21 -4.164 15.831 -0.733 1.00 0.00 C ATOM 315 CG ASP A 21 -3.648 17.239 -0.492 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.426 17.972 -1.478 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.460 17.619 0.684 1.00 0.00 O ATOM 0 H ASP A 21 -4.516 13.385 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.710 15.216 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.969 15.863 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.590 15.440 0.191 1.00 0.00 H new ATOM 322 N GLU A 22 -2.021 14.201 0.859 1.00 0.00 N ATOM 323 CA GLU A 22 -1.013 14.263 1.914 1.00 0.00 C ATOM 324 C GLU A 22 0.286 13.587 1.496 1.00 0.00 C ATOM 325 O GLU A 22 1.367 14.020 1.894 1.00 0.00 O ATOM 326 CB GLU A 22 -1.516 13.651 3.223 1.00 0.00 C ATOM 327 CG GLU A 22 -2.541 14.501 3.951 1.00 0.00 C ATOM 328 CD GLU A 22 -2.690 14.098 5.400 1.00 0.00 C ATOM 329 OE1 GLU A 22 -3.472 13.171 5.695 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.997 14.693 6.251 1.00 0.00 O ATOM 0 H GLU A 22 -2.804 13.577 1.054 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.815 15.321 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.954 12.675 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.665 13.482 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.247 15.549 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.505 14.413 3.450 1.00 0.00 H new ATOM 337 N LEU A 23 0.192 12.530 0.697 1.00 0.00 N ATOM 338 CA LEU A 23 1.395 11.826 0.255 1.00 0.00 C ATOM 339 C LEU A 23 1.953 12.468 -0.998 1.00 0.00 C ATOM 340 O LEU A 23 3.014 12.079 -1.486 1.00 0.00 O ATOM 341 CB LEU A 23 1.118 10.341 -0.011 1.00 0.00 C ATOM 342 CG LEU A 23 0.477 9.579 1.142 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.745 8.088 1.016 1.00 0.00 C ATOM 344 CD2 LEU A 23 0.982 10.129 2.456 1.00 0.00 C ATOM 0 H LEU A 23 -0.685 12.146 0.346 1.00 0.00 H new ATOM 0 HA LEU A 23 2.126 11.898 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.469 10.260 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.059 9.854 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.604 9.715 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.278 7.563 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.329 7.722 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.820 7.909 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.522 9.583 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.065 10.016 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.723 11.185 2.532 1.00 0.00 H new ATOM 356 N SER A 24 1.225 13.455 -1.505 1.00 0.00 N ATOM 357 CA SER A 24 1.598 14.148 -2.723 1.00 0.00 C ATOM 358 C SER A 24 1.689 13.167 -3.884 1.00 0.00 C ATOM 359 O SER A 24 2.639 13.209 -4.669 1.00 0.00 O ATOM 360 CB SER A 24 2.927 14.880 -2.530 1.00 0.00 C ATOM 361 OG SER A 24 2.841 15.811 -1.464 1.00 0.00 O ATOM 0 H SER A 24 0.361 13.794 -1.081 1.00 0.00 H new ATOM 0 HA SER A 24 0.829 14.885 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.718 14.158 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.198 15.398 -3.450 1.00 0.00 H new ATOM 0 HG SER A 24 3.702 16.266 -1.357 1.00 0.00 H new ATOM 367 N LEU A 25 0.705 12.268 -3.962 1.00 0.00 N ATOM 368 CA LEU A 25 0.597 11.339 -5.094 1.00 0.00 C ATOM 369 C LEU A 25 0.696 12.085 -6.422 1.00 0.00 C ATOM 370 O LEU A 25 -0.122 12.966 -6.701 1.00 0.00 O ATOM 371 CB LEU A 25 -0.745 10.593 -5.085 1.00 0.00 C ATOM 372 CG LEU A 25 -0.883 9.396 -4.133 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.120 8.323 -4.484 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.713 9.809 -2.686 1.00 0.00 C ATOM 0 H LEU A 25 -0.026 12.162 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 25 1.418 10.630 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.527 11.311 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.942 10.242 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.891 8.999 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.008 7.482 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.052 7.984 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.129 8.727 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.817 8.935 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.276 10.246 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.475 10.544 -2.425 1.00 0.00 H new ATOM 386 N PRO A 26 1.683 11.752 -7.265 1.00 0.00 N ATOM 387 CA PRO A 26 1.765 12.302 -8.611 1.00 0.00 C ATOM 388 C PRO A 26 0.694 11.697 -9.509 1.00 0.00 C ATOM 389 O PRO A 26 0.234 10.575 -9.276 1.00 0.00 O ATOM 390 CB PRO A 26 3.167 11.904 -9.097 1.00 0.00 C ATOM 391 CG PRO A 26 3.878 11.398 -7.885 1.00 0.00 C ATOM 392 CD PRO A 26 2.806 10.844 -6.996 1.00 0.00 C ATOM 0 HA PRO A 26 1.605 13.380 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.112 11.137 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.689 12.757 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.605 10.630 -8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.426 12.199 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.563 9.811 -7.245 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.099 10.858 -5.946 1.00 0.00 H new ATOM 400 N ASP A 27 0.311 12.432 -10.536 1.00 0.00 N ATOM 401 CA ASP A 27 -0.758 12.018 -11.434 1.00 0.00 C ATOM 402 C ASP A 27 -0.398 10.748 -12.196 1.00 0.00 C ATOM 403 O ASP A 27 -1.273 9.965 -12.565 1.00 0.00 O ATOM 404 CB ASP A 27 -1.106 13.155 -12.386 1.00 0.00 C ATOM 405 CG ASP A 27 0.090 13.678 -13.165 1.00 0.00 C ATOM 406 OD1 ASP A 27 1.145 13.948 -12.546 1.00 0.00 O ATOM 407 OD2 ASP A 27 -0.028 13.847 -14.393 1.00 0.00 O ATOM 0 H ASP A 27 0.729 13.331 -10.774 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.636 11.784 -10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.865 12.811 -13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.546 13.974 -11.817 1.00 0.00 H new ATOM 412 N SER A 28 0.888 10.526 -12.402 1.00 0.00 N ATOM 413 CA SER A 28 1.346 9.294 -13.024 1.00 0.00 C ATOM 414 C SER A 28 1.052 8.097 -12.116 1.00 0.00 C ATOM 415 O SER A 28 0.687 7.017 -12.584 1.00 0.00 O ATOM 416 CB SER A 28 2.843 9.383 -13.317 1.00 0.00 C ATOM 417 OG SER A 28 3.139 10.529 -14.098 1.00 0.00 O ATOM 0 H SER A 28 1.631 11.178 -12.150 1.00 0.00 H new ATOM 0 HA SER A 28 0.811 9.154 -13.963 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.399 9.423 -12.380 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.169 8.486 -13.843 1.00 0.00 H new ATOM 0 HG SER A 28 4.103 10.566 -14.272 1.00 0.00 H new ATOM 423 N VAL A 29 1.177 8.306 -10.811 1.00 0.00 N ATOM 424 CA VAL A 29 1.002 7.232 -9.856 1.00 0.00 C ATOM 425 C VAL A 29 -0.470 6.996 -9.546 1.00 0.00 C ATOM 426 O VAL A 29 -0.894 5.849 -9.447 1.00 0.00 O ATOM 427 CB VAL A 29 1.768 7.498 -8.556 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.740 6.263 -7.673 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.197 7.912 -8.859 1.00 0.00 C ATOM 0 H VAL A 29 1.399 9.211 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 29 1.410 6.334 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 29 1.284 8.316 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.287 6.462 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.707 6.010 -7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.206 5.429 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.728 8.097 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.698 7.115 -9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.193 8.821 -9.460 1.00 0.00 H new ATOM 439 N VAL A 30 -1.256 8.068 -9.397 1.00 0.00 N ATOM 440 CA VAL A 30 -2.696 7.904 -9.186 1.00 0.00 C ATOM 441 C VAL A 30 -3.310 7.142 -10.363 1.00 0.00 C ATOM 442 O VAL A 30 -4.240 6.358 -10.191 1.00 0.00 O ATOM 443 CB VAL A 30 -3.451 9.243 -8.977 1.00 0.00 C ATOM 444 CG1 VAL A 30 -2.975 9.941 -7.715 1.00 0.00 C ATOM 445 CG2 VAL A 30 -3.314 10.161 -10.177 1.00 0.00 C ATOM 0 H VAL A 30 -0.930 9.034 -9.418 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.809 7.337 -8.262 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.508 9.004 -8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.519 10.877 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.156 9.298 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.908 10.149 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.857 11.087 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.261 10.385 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.726 9.671 -11.059 1.00 0.00 H new ATOM 455 N ALA A 31 -2.750 7.359 -11.554 1.00 0.00 N ATOM 456 CA ALA A 31 -3.185 6.659 -12.759 1.00 0.00 C ATOM 457 C ALA A 31 -2.885 5.164 -12.678 1.00 0.00 C ATOM 458 O ALA A 31 -3.766 4.331 -12.897 1.00 0.00 O ATOM 459 CB ALA A 31 -2.480 7.243 -13.964 1.00 0.00 C ATOM 0 H ALA A 31 -1.988 8.020 -11.708 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.264 6.787 -12.851 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.804 6.721 -14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.724 8.302 -14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.403 7.128 -13.846 1.00 0.00 H new ATOM 465 N ASP A 32 -1.632 4.838 -12.368 1.00 0.00 N ATOM 466 CA ASP A 32 -1.196 3.445 -12.263 1.00 0.00 C ATOM 467 C ASP A 32 -1.931 2.752 -11.123 1.00 0.00 C ATOM 468 O ASP A 32 -2.302 1.583 -11.220 1.00 0.00 O ATOM 469 CB ASP A 32 0.317 3.400 -12.026 1.00 0.00 C ATOM 470 CG ASP A 32 0.877 1.992 -11.942 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.044 1.350 -12.999 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.206 1.544 -10.824 1.00 0.00 O ATOM 0 H ASP A 32 -0.897 5.521 -12.184 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.427 2.923 -13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.819 3.934 -12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.547 3.930 -11.102 1.00 0.00 H new ATOM 477 N LEU A 33 -2.146 3.509 -10.058 1.00 0.00 N ATOM 478 CA LEU A 33 -2.922 3.069 -8.909 1.00 0.00 C ATOM 479 C LEU A 33 -4.284 2.518 -9.327 1.00 0.00 C ATOM 480 O LEU A 33 -4.674 1.425 -8.921 1.00 0.00 O ATOM 481 CB LEU A 33 -3.111 4.266 -7.973 1.00 0.00 C ATOM 482 CG LEU A 33 -3.625 3.954 -6.575 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.597 3.127 -5.825 1.00 0.00 C ATOM 484 CD2 LEU A 33 -3.920 5.247 -5.832 1.00 0.00 C ATOM 0 H LEU A 33 -1.782 4.457 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.386 2.264 -8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.155 4.781 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.804 4.963 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.549 3.380 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.968 2.905 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.419 2.195 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.664 3.686 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.288 5.016 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.008 5.839 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.676 5.814 -6.375 1.00 0.00 H new ATOM 496 N TYR A 34 -5.013 3.297 -10.116 1.00 0.00 N ATOM 497 CA TYR A 34 -6.338 2.894 -10.595 1.00 0.00 C ATOM 498 C TYR A 34 -6.361 1.708 -11.593 1.00 0.00 C ATOM 499 O TYR A 34 -7.404 1.478 -12.201 1.00 0.00 O ATOM 500 CB TYR A 34 -7.065 4.094 -11.206 1.00 0.00 C ATOM 501 CG TYR A 34 -7.410 5.160 -10.192 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.946 4.814 -8.960 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.177 6.504 -10.455 1.00 0.00 C ATOM 504 CE1 TYR A 34 -8.250 5.775 -8.021 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.474 7.473 -9.517 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.009 7.101 -8.302 1.00 0.00 C ATOM 507 OH TYR A 34 -8.298 8.057 -7.359 1.00 0.00 O ATOM 0 H TYR A 34 -4.712 4.216 -10.441 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.852 2.529 -9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.440 4.531 -11.985 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.980 3.750 -11.687 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.128 3.774 -8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.758 6.795 -11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.675 5.490 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.289 8.515 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.578 7.622 -6.527 1.00 0.00 H new ATOM 517 N ASN A 35 -5.258 0.964 -11.796 1.00 0.00 N ATOM 518 CA ASN A 35 -5.236 -0.085 -12.819 1.00 0.00 C ATOM 519 C ASN A 35 -6.309 -1.148 -12.553 1.00 0.00 C ATOM 520 O ASN A 35 -6.238 -1.898 -11.584 1.00 0.00 O ATOM 521 CB ASN A 35 -3.844 -0.738 -12.917 1.00 0.00 C ATOM 522 CG ASN A 35 -3.406 -1.469 -11.652 1.00 0.00 C ATOM 523 OD1 ASN A 35 -3.745 -1.082 -10.536 1.00 0.00 O ATOM 524 ND2 ASN A 35 -2.646 -2.539 -11.823 1.00 0.00 N ATOM 0 H ASN A 35 -4.388 1.070 -11.274 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.459 0.389 -13.775 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.843 -1.442 -13.749 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.109 0.032 -13.151 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.323 -3.070 -11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.383 -2.833 -12.764 1.00 0.00 H new ATOM 531 N PHE A 36 -7.322 -1.191 -13.410 1.00 0.00 N ATOM 532 CA PHE A 36 -8.412 -2.148 -13.250 1.00 0.00 C ATOM 533 C PHE A 36 -8.177 -3.398 -14.089 1.00 0.00 C ATOM 534 O PHE A 36 -8.972 -4.340 -14.059 1.00 0.00 O ATOM 535 CB PHE A 36 -9.757 -1.514 -13.620 1.00 0.00 C ATOM 536 CG PHE A 36 -10.215 -0.461 -12.647 1.00 0.00 C ATOM 537 CD1 PHE A 36 -10.489 -0.791 -11.329 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.382 0.853 -13.053 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.917 0.171 -10.432 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.808 1.819 -12.161 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.077 1.478 -10.850 1.00 0.00 C ATOM 0 H PHE A 36 -7.412 -0.577 -14.220 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.439 -2.438 -12.200 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.679 -1.070 -14.613 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.514 -2.296 -13.679 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.367 -1.812 -10.998 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.177 1.126 -14.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.126 -0.099 -9.407 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.931 2.841 -12.489 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.412 2.232 -10.153 1.00 0.00 H new ATOM 551 N TRP A 37 -7.092 -3.401 -14.848 1.00 0.00 N ATOM 552 CA TRP A 37 -6.735 -4.561 -15.646 1.00 0.00 C ATOM 553 C TRP A 37 -5.819 -5.484 -14.850 1.00 0.00 C ATOM 554 O TRP A 37 -5.210 -5.062 -13.866 1.00 0.00 O ATOM 555 CB TRP A 37 -6.065 -4.135 -16.960 1.00 0.00 C ATOM 556 CG TRP A 37 -4.771 -3.395 -16.782 1.00 0.00 C ATOM 557 CD1 TRP A 37 -3.525 -3.940 -16.679 1.00 0.00 C ATOM 558 CD2 TRP A 37 -4.595 -1.975 -16.703 1.00 0.00 C ATOM 559 NE1 TRP A 37 -2.586 -2.951 -16.528 1.00 0.00 N ATOM 560 CE2 TRP A 37 -3.218 -1.735 -16.547 1.00 0.00 C ATOM 561 CE3 TRP A 37 -5.470 -0.886 -16.751 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -2.694 -0.449 -16.433 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -4.949 0.391 -16.640 1.00 0.00 C ATOM 564 CH2 TRP A 37 -3.572 0.599 -16.486 1.00 0.00 C ATOM 0 H TRP A 37 -6.446 -2.616 -14.927 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.647 -5.104 -15.894 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.882 -5.023 -17.565 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.757 -3.505 -17.519 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.309 -4.998 -16.712 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.582 -3.097 -16.419 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.532 -1.038 -16.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.634 -0.285 -16.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.614 1.241 -16.673 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.196 1.608 -16.407 1.00 0.00 H new ATOM 575 N LYS A 38 -5.733 -6.741 -15.271 1.00 0.00 N ATOM 576 CA LYS A 38 -4.831 -7.700 -14.633 1.00 0.00 C ATOM 577 C LYS A 38 -3.379 -7.402 -15.004 1.00 0.00 C ATOM 578 O LYS A 38 -2.804 -7.991 -15.920 1.00 0.00 O ATOM 579 CB LYS A 38 -5.197 -9.155 -14.964 1.00 0.00 C ATOM 580 CG LYS A 38 -5.256 -9.487 -16.447 1.00 0.00 C ATOM 581 CD LYS A 38 -6.555 -9.014 -17.084 1.00 0.00 C ATOM 582 CE LYS A 38 -6.604 -9.321 -18.572 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.870 -8.843 -19.190 1.00 0.00 N ATOM 0 H LYS A 38 -6.274 -7.121 -16.048 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.946 -7.584 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.469 -9.813 -14.490 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.166 -9.379 -14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.412 -9.023 -16.957 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.157 -10.564 -16.582 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.398 -9.494 -16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.664 -7.940 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.756 -8.850 -19.069 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.507 -10.396 -18.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.868 -9.070 -20.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.678 -9.311 -18.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.950 -7.814 -19.065 1.00 0.00 H new ATOM 597 N ASP A 39 -2.841 -6.425 -14.305 1.00 0.00 N ATOM 598 CA ASP A 39 -1.470 -5.931 -14.498 1.00 0.00 C ATOM 599 C ASP A 39 -0.386 -7.022 -14.649 1.00 0.00 C ATOM 600 O ASP A 39 0.373 -6.965 -15.615 1.00 0.00 O ATOM 601 CB ASP A 39 -1.086 -4.983 -13.354 1.00 0.00 C ATOM 602 CG ASP A 39 -1.104 -5.651 -11.993 1.00 0.00 C ATOM 603 OD1 ASP A 39 -2.163 -5.641 -11.335 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.058 -6.191 -11.578 1.00 0.00 O ATOM 0 H ASP A 39 -3.346 -5.933 -13.568 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.493 -5.410 -15.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.090 -4.582 -13.542 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.773 -4.137 -13.345 1.00 0.00 H new ATOM 609 N ASP A 40 -0.293 -7.981 -13.701 1.00 0.00 N ATOM 610 CA ASP A 40 0.830 -8.932 -13.610 1.00 0.00 C ATOM 611 C ASP A 40 2.176 -8.206 -13.684 1.00 0.00 C ATOM 612 O ASP A 40 3.175 -8.749 -14.156 1.00 0.00 O ATOM 613 CB ASP A 40 0.740 -10.092 -14.638 1.00 0.00 C ATOM 614 CG ASP A 40 0.946 -9.703 -16.096 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.110 -9.545 -16.525 1.00 0.00 O ATOM 616 OD2 ASP A 40 -0.055 -9.594 -16.833 1.00 0.00 O ATOM 0 H ASP A 40 -0.999 -8.115 -12.977 1.00 0.00 H new ATOM 0 HA ASP A 40 0.755 -9.404 -12.630 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.483 -10.845 -14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.239 -10.562 -14.542 1.00 0.00 H new ATOM 621 N TYR A 41 2.202 -6.991 -13.146 1.00 0.00 N ATOM 622 CA TYR A 41 3.384 -6.151 -13.196 1.00 0.00 C ATOM 623 C TYR A 41 4.056 -6.081 -11.823 1.00 0.00 C ATOM 624 O TYR A 41 3.570 -6.659 -10.849 1.00 0.00 O ATOM 625 CB TYR A 41 3.008 -4.752 -13.726 1.00 0.00 C ATOM 626 CG TYR A 41 2.720 -3.689 -12.675 1.00 0.00 C ATOM 627 CD1 TYR A 41 1.968 -3.967 -11.545 1.00 0.00 C ATOM 628 CD2 TYR A 41 3.208 -2.398 -12.828 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.709 -2.997 -10.596 1.00 0.00 C ATOM 630 CE2 TYR A 41 2.953 -1.421 -11.885 1.00 0.00 C ATOM 631 CZ TYR A 41 2.203 -1.724 -10.774 1.00 0.00 C ATOM 632 OH TYR A 41 1.949 -0.752 -9.832 1.00 0.00 O ATOM 0 H TYR A 41 1.408 -6.567 -12.667 1.00 0.00 H new ATOM 0 HA TYR A 41 4.108 -6.588 -13.884 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.821 -4.396 -14.359 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.128 -4.852 -14.362 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.576 -4.963 -11.403 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.797 -2.153 -13.699 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.123 -3.235 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.342 -0.423 -12.020 1.00 0.00 H new ATOM 0 HH TYR A 41 1.484 0.000 -10.255 1.00 0.00 H new ATOM 642 N VAL A 42 5.178 -5.384 -11.760 1.00 0.00 N ATOM 643 CA VAL A 42 5.934 -5.243 -10.528 1.00 0.00 C ATOM 644 C VAL A 42 5.666 -3.875 -9.908 1.00 0.00 C ATOM 645 O VAL A 42 5.634 -2.872 -10.617 1.00 0.00 O ATOM 646 CB VAL A 42 7.448 -5.393 -10.784 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.219 -5.427 -9.473 1.00 0.00 C ATOM 648 CG2 VAL A 42 7.730 -6.635 -11.618 1.00 0.00 C ATOM 0 H VAL A 42 5.589 -4.901 -12.559 1.00 0.00 H new ATOM 0 HA VAL A 42 5.614 -6.031 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 42 7.787 -4.524 -11.347 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.284 -5.533 -9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.046 -4.501 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.880 -6.272 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.803 -6.723 -11.788 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.373 -7.518 -11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.217 -6.554 -12.576 1.00 0.00 H new ATOM 658 N MET A 43 5.457 -3.834 -8.598 1.00 0.00 N ATOM 659 CA MET A 43 5.205 -2.574 -7.913 1.00 0.00 C ATOM 660 C MET A 43 6.486 -1.752 -7.879 1.00 0.00 C ATOM 661 O MET A 43 7.394 -2.026 -7.093 1.00 0.00 O ATOM 662 CB MET A 43 4.683 -2.825 -6.495 1.00 0.00 C ATOM 663 CG MET A 43 4.313 -1.555 -5.743 1.00 0.00 C ATOM 664 SD MET A 43 3.506 -1.891 -4.163 1.00 0.00 S ATOM 665 CE MET A 43 4.767 -2.840 -3.317 1.00 0.00 C ATOM 0 H MET A 43 5.457 -4.654 -7.992 1.00 0.00 H new ATOM 0 HA MET A 43 4.440 -2.018 -8.455 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.807 -3.472 -6.549 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.443 -3.363 -5.928 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.213 -0.966 -5.568 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.651 -0.950 -6.363 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.327 -3.752 -2.914 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.560 -3.099 -4.019 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.183 -2.247 -2.502 1.00 0.00 H new ATOM 675 N THR A 44 6.571 -0.774 -8.764 1.00 0.00 N ATOM 676 CA THR A 44 7.790 -0.006 -8.936 1.00 0.00 C ATOM 677 C THR A 44 7.753 1.315 -8.174 1.00 0.00 C ATOM 678 O THR A 44 8.743 1.709 -7.560 1.00 0.00 O ATOM 679 CB THR A 44 8.042 0.270 -10.431 1.00 0.00 C ATOM 680 OG1 THR A 44 6.888 0.897 -11.011 1.00 0.00 O ATOM 681 CG2 THR A 44 8.344 -1.020 -11.182 1.00 0.00 C ATOM 0 H THR A 44 5.806 -0.493 -9.377 1.00 0.00 H new ATOM 0 HA THR A 44 8.604 -0.605 -8.527 1.00 0.00 H new ATOM 0 HB THR A 44 8.905 0.931 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.054 1.072 -11.961 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.518 -0.796 -12.235 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.233 -1.488 -10.759 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.498 -1.701 -11.091 1.00 0.00 H new ATOM 689 N ASP A 45 6.609 1.989 -8.195 1.00 0.00 N ATOM 690 CA ASP A 45 6.519 3.327 -7.620 1.00 0.00 C ATOM 691 C ASP A 45 6.217 3.289 -6.130 1.00 0.00 C ATOM 692 O ASP A 45 5.204 2.735 -5.694 1.00 0.00 O ATOM 693 CB ASP A 45 5.476 4.172 -8.339 1.00 0.00 C ATOM 694 CG ASP A 45 5.679 5.649 -8.058 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.370 6.094 -6.936 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.181 6.364 -8.949 1.00 0.00 O ATOM 0 H ASP A 45 5.741 1.637 -8.598 1.00 0.00 H new ATOM 0 HA ASP A 45 7.497 3.788 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.535 3.992 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.478 3.872 -8.020 1.00 0.00 H new ATOM 701 N ARG A 46 7.138 3.861 -5.368 1.00 0.00 N ATOM 702 CA ARG A 46 6.979 4.081 -3.923 1.00 0.00 C ATOM 703 C ARG A 46 5.598 4.628 -3.545 1.00 0.00 C ATOM 704 O ARG A 46 5.004 4.179 -2.564 1.00 0.00 O ATOM 705 CB ARG A 46 8.062 5.038 -3.378 1.00 0.00 C ATOM 706 CG ARG A 46 8.090 6.437 -4.001 1.00 0.00 C ATOM 707 CD ARG A 46 8.567 6.391 -5.445 1.00 0.00 C ATOM 708 NE ARG A 46 8.215 7.590 -6.200 1.00 0.00 N ATOM 709 CZ ARG A 46 9.099 8.492 -6.627 1.00 0.00 C ATOM 710 NH1 ARG A 46 10.381 8.392 -6.293 1.00 0.00 N ATOM 711 NH2 ARG A 46 8.691 9.501 -7.382 1.00 0.00 N ATOM 0 H ARG A 46 8.031 4.192 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 46 7.088 3.097 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.920 5.143 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.037 4.575 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.093 6.876 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.747 7.083 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.649 6.263 -5.461 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.136 5.519 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 46 7.230 7.748 -6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.696 7.620 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.050 9.087 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.706 9.584 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.362 10.195 -7.712 1.00 0.00 H new ATOM 725 N LEU A 47 5.078 5.581 -4.316 1.00 0.00 N ATOM 726 CA LEU A 47 3.814 6.225 -3.972 1.00 0.00 C ATOM 727 C LEU A 47 2.655 5.236 -4.014 1.00 0.00 C ATOM 728 O LEU A 47 1.615 5.462 -3.393 1.00 0.00 O ATOM 729 CB LEU A 47 3.511 7.418 -4.893 1.00 0.00 C ATOM 730 CG LEU A 47 4.040 8.771 -4.426 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.521 9.088 -3.037 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.555 8.803 -4.463 1.00 0.00 C ATOM 0 H LEU A 47 5.509 5.921 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 47 3.922 6.596 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.928 7.207 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.430 7.494 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 47 3.677 9.538 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.906 10.056 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.432 9.119 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.851 8.317 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.907 9.778 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.951 8.027 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.898 8.627 -5.483 1.00 0.00 H new ATOM 744 N ALA A 48 2.850 4.125 -4.705 1.00 0.00 N ATOM 745 CA ALA A 48 1.810 3.131 -4.831 1.00 0.00 C ATOM 746 C ALA A 48 1.784 2.295 -3.569 1.00 0.00 C ATOM 747 O ALA A 48 0.774 2.239 -2.870 1.00 0.00 O ATOM 748 CB ALA A 48 2.050 2.279 -6.065 1.00 0.00 C ATOM 0 H ALA A 48 3.720 3.894 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 48 0.839 3.610 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.260 1.533 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.048 2.913 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.015 1.779 -5.980 1.00 0.00 H new ATOM 754 N GLY A 49 2.916 1.649 -3.296 1.00 0.00 N ATOM 755 CA GLY A 49 3.154 1.045 -1.988 1.00 0.00 C ATOM 756 C GLY A 49 2.656 1.881 -0.802 1.00 0.00 C ATOM 757 O GLY A 49 1.989 1.343 0.085 1.00 0.00 O ATOM 0 H GLY A 49 3.680 1.531 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.668 0.070 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.224 0.872 -1.871 1.00 0.00 H new ATOM 761 N CYS A 50 2.959 3.188 -0.768 1.00 0.00 N ATOM 762 CA CYS A 50 2.509 4.037 0.329 1.00 0.00 C ATOM 763 C CYS A 50 0.982 4.122 0.373 1.00 0.00 C ATOM 764 O CYS A 50 0.380 3.997 1.442 1.00 0.00 O ATOM 765 CB CYS A 50 3.089 5.453 0.190 1.00 0.00 C ATOM 766 SG CYS A 50 4.829 5.660 0.720 1.00 0.00 S ATOM 0 H CYS A 50 3.507 3.669 -1.481 1.00 0.00 H new ATOM 0 HA CYS A 50 2.864 3.587 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.009 5.757 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.469 6.137 0.770 1.00 0.00 H new ATOM 771 N ALA A 51 0.358 4.292 -0.791 1.00 0.00 N ATOM 772 CA ALA A 51 -1.093 4.457 -0.870 1.00 0.00 C ATOM 773 C ALA A 51 -1.828 3.186 -0.451 1.00 0.00 C ATOM 774 O ALA A 51 -2.983 3.242 -0.022 1.00 0.00 O ATOM 775 CB ALA A 51 -1.504 4.867 -2.277 1.00 0.00 C ATOM 0 H ALA A 51 0.834 4.319 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.374 5.247 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.587 4.986 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.025 5.811 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.195 4.098 -2.985 1.00 0.00 H new ATOM 781 N ILE A 52 -1.150 2.049 -0.562 1.00 0.00 N ATOM 782 CA ILE A 52 -1.725 0.766 -0.165 1.00 0.00 C ATOM 783 C ILE A 52 -2.007 0.745 1.337 1.00 0.00 C ATOM 784 O ILE A 52 -2.989 0.150 1.794 1.00 0.00 O ATOM 785 CB ILE A 52 -0.791 -0.413 -0.534 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.556 -0.460 -2.050 1.00 0.00 C ATOM 787 CG2 ILE A 52 -1.364 -1.738 -0.042 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.828 -0.602 -2.865 1.00 0.00 C ATOM 0 H ILE A 52 -0.199 1.988 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.661 0.647 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 52 0.167 -0.253 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.040 0.450 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.106 -1.295 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.689 -2.550 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.475 -1.706 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.338 -1.906 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.579 -0.628 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.336 -1.526 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.484 0.246 -2.667 1.00 0.00 H new ATOM 800 N ASN A 53 -1.157 1.413 2.105 1.00 0.00 N ATOM 801 CA ASN A 53 -1.323 1.469 3.551 1.00 0.00 C ATOM 802 C ASN A 53 -1.002 2.857 4.091 1.00 0.00 C ATOM 803 O ASN A 53 -0.052 3.041 4.851 1.00 0.00 O ATOM 804 CB ASN A 53 -0.472 0.397 4.261 1.00 0.00 C ATOM 805 CG ASN A 53 0.964 0.283 3.755 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.540 -0.803 3.771 1.00 0.00 O ATOM 807 ND2 ASN A 53 1.564 1.389 3.332 1.00 0.00 N ATOM 0 H ASN A 53 -0.347 1.923 1.752 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.371 1.257 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.450 0.618 5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.961 -0.570 4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.530 1.353 3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.059 2.275 3.331 1.00 0.00 H new ATOM 814 N CYS A 54 -1.781 3.840 3.675 1.00 0.00 N ATOM 815 CA CYS A 54 -1.598 5.193 4.170 1.00 0.00 C ATOM 816 C CYS A 54 -2.808 5.636 4.988 1.00 0.00 C ATOM 817 O CYS A 54 -2.663 6.272 6.030 1.00 0.00 O ATOM 818 CB CYS A 54 -1.349 6.172 3.016 1.00 0.00 C ATOM 819 SG CYS A 54 -2.763 6.409 1.888 1.00 0.00 S ATOM 0 H CYS A 54 -2.539 3.729 3.002 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.720 5.197 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.071 7.139 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.496 5.818 2.436 1.00 0.00 H new ATOM 824 N LEU A 55 -3.996 5.247 4.530 1.00 0.00 N ATOM 825 CA LEU A 55 -5.249 5.748 5.087 1.00 0.00 C ATOM 826 C LEU A 55 -5.406 5.358 6.552 1.00 0.00 C ATOM 827 O LEU A 55 -5.537 6.217 7.424 1.00 0.00 O ATOM 828 CB LEU A 55 -6.425 5.218 4.252 1.00 0.00 C ATOM 829 CG LEU A 55 -7.763 5.950 4.421 1.00 0.00 C ATOM 830 CD1 LEU A 55 -8.668 5.647 3.240 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.455 5.549 5.717 1.00 0.00 C ATOM 0 H LEU A 55 -4.116 4.580 3.768 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.237 6.837 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.143 5.259 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.576 4.168 4.501 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.560 7.020 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.617 6.169 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.189 5.980 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.849 4.573 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.400 6.085 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.646 4.476 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.815 5.798 6.563 1.00 0.00 H new ATOM 843 N ALA A 56 -5.327 4.069 6.834 1.00 0.00 N ATOM 844 CA ALA A 56 -5.610 3.580 8.175 1.00 0.00 C ATOM 845 C ALA A 56 -4.400 3.766 9.073 1.00 0.00 C ATOM 846 O ALA A 56 -4.499 3.686 10.297 1.00 0.00 O ATOM 847 CB ALA A 56 -6.022 2.117 8.128 1.00 0.00 C ATOM 0 H ALA A 56 -5.072 3.347 6.160 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.436 4.158 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.230 1.765 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.917 2.011 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.214 1.525 7.697 1.00 0.00 H new ATOM 853 N THR A 57 -3.262 4.049 8.460 1.00 0.00 N ATOM 854 CA THR A 57 -2.052 4.314 9.206 1.00 0.00 C ATOM 855 C THR A 57 -2.015 5.773 9.669 1.00 0.00 C ATOM 856 O THR A 57 -1.550 6.074 10.769 1.00 0.00 O ATOM 857 CB THR A 57 -0.801 3.977 8.373 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.885 2.629 7.891 1.00 0.00 O ATOM 859 CG2 THR A 57 0.458 4.153 9.195 1.00 0.00 C ATOM 0 H THR A 57 -3.155 4.100 7.447 1.00 0.00 H new ATOM 0 HA THR A 57 -2.051 3.671 10.086 1.00 0.00 H new ATOM 0 HB THR A 57 -0.757 4.662 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.634 2.604 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.328 3.909 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.530 5.187 9.533 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.424 3.490 10.060 1.00 0.00 H new ATOM 867 N LYS A 58 -2.526 6.681 8.843 1.00 0.00 N ATOM 868 CA LYS A 58 -2.572 8.085 9.214 1.00 0.00 C ATOM 869 C LYS A 58 -3.769 8.381 10.112 1.00 0.00 C ATOM 870 O LYS A 58 -3.827 9.431 10.750 1.00 0.00 O ATOM 871 CB LYS A 58 -2.588 8.979 7.979 1.00 0.00 C ATOM 872 CG LYS A 58 -1.295 8.900 7.186 1.00 0.00 C ATOM 873 CD LYS A 58 -1.218 9.965 6.103 1.00 0.00 C ATOM 874 CE LYS A 58 -0.807 11.324 6.664 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.858 11.945 7.516 1.00 0.00 N ATOM 0 H LYS A 58 -2.910 6.470 7.922 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.666 8.306 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.422 8.692 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.761 10.011 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.448 9.011 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.211 7.914 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.502 9.656 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.187 10.054 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.105 11.208 7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.573 11.996 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.687 12.968 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.792 11.780 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.830 11.522 8.465 1.00 0.00 H new ATOM 889 N LEU A 59 -4.732 7.464 10.149 1.00 0.00 N ATOM 890 CA LEU A 59 -5.815 7.555 11.112 1.00 0.00 C ATOM 891 C LEU A 59 -5.277 7.387 12.529 1.00 0.00 C ATOM 892 O LEU A 59 -5.302 8.332 13.318 1.00 0.00 O ATOM 893 CB LEU A 59 -6.892 6.519 10.820 1.00 0.00 C ATOM 894 CG LEU A 59 -7.655 6.743 9.516 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.952 5.974 9.551 1.00 0.00 C ATOM 896 CD2 LEU A 59 -7.921 8.223 9.284 1.00 0.00 C ATOM 0 H LEU A 59 -4.781 6.657 9.527 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.268 8.543 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.430 5.532 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.604 6.512 11.645 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.044 6.382 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.496 6.135 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.742 4.911 9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.557 6.320 10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.465 8.353 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.515 8.619 10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.973 8.759 9.229 1.00 0.00 H new ATOM 908 N ASP A 60 -4.757 6.198 12.835 1.00 0.00 N ATOM 909 CA ASP A 60 -4.212 5.914 14.162 1.00 0.00 C ATOM 910 C ASP A 60 -3.592 4.525 14.203 1.00 0.00 C ATOM 911 O ASP A 60 -4.271 3.529 13.951 1.00 0.00 O ATOM 912 CB ASP A 60 -5.296 6.021 15.238 1.00 0.00 C ATOM 913 CG ASP A 60 -4.755 5.752 16.627 1.00 0.00 C ATOM 914 OD1 ASP A 60 -4.083 6.636 17.192 1.00 0.00 O ATOM 915 OD2 ASP A 60 -5.004 4.653 17.161 1.00 0.00 O ATOM 0 H ASP A 60 -4.702 5.417 12.182 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.441 6.657 14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.737 7.017 15.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.095 5.313 15.018 1.00 0.00 H new ATOM 920 N VAL A 61 -2.307 4.469 14.529 1.00 0.00 N ATOM 921 CA VAL A 61 -1.568 3.210 14.576 1.00 0.00 C ATOM 922 C VAL A 61 -0.134 3.486 15.050 1.00 0.00 C ATOM 923 O VAL A 61 0.838 2.853 14.626 1.00 0.00 O ATOM 924 CB VAL A 61 -1.577 2.520 13.187 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.795 3.334 12.176 1.00 0.00 C ATOM 926 CG2 VAL A 61 -1.048 1.098 13.260 1.00 0.00 C ATOM 0 H VAL A 61 -1.749 5.289 14.767 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.048 2.531 15.280 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.615 2.465 12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.815 2.830 11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.244 4.323 12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.237 3.435 12.511 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.071 0.650 12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.023 1.110 13.629 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.671 0.513 13.937 1.00 0.00 H new ATOM 936 N VAL A 62 -0.016 4.423 15.972 1.00 0.00 N ATOM 937 CA VAL A 62 1.284 4.911 16.394 1.00 0.00 C ATOM 938 C VAL A 62 1.679 4.341 17.757 1.00 0.00 C ATOM 939 O VAL A 62 0.991 4.546 18.756 1.00 0.00 O ATOM 940 CB VAL A 62 1.319 6.455 16.418 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.181 7.007 15.009 1.00 0.00 C ATOM 942 CG2 VAL A 62 0.220 7.015 17.309 1.00 0.00 C ATOM 0 H VAL A 62 -0.806 4.862 16.444 1.00 0.00 H new ATOM 0 HA VAL A 62 2.014 4.566 15.662 1.00 0.00 H new ATOM 0 HB VAL A 62 2.280 6.764 16.829 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.207 8.096 15.041 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.003 6.642 14.393 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.234 6.679 14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.269 8.104 17.307 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.752 6.695 16.933 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.354 6.648 18.327 1.00 0.00 H new ATOM 952 N ASP A 63 2.769 3.581 17.776 1.00 0.00 N ATOM 953 CA ASP A 63 3.293 3.013 19.015 1.00 0.00 C ATOM 954 C ASP A 63 3.917 4.089 19.923 1.00 0.00 C ATOM 955 O ASP A 63 3.536 4.208 21.089 1.00 0.00 O ATOM 956 CB ASP A 63 4.334 1.930 18.702 1.00 0.00 C ATOM 957 CG ASP A 63 4.156 0.670 19.523 1.00 0.00 C ATOM 958 OD1 ASP A 63 3.861 0.767 20.731 1.00 0.00 O ATOM 959 OD2 ASP A 63 4.331 -0.428 18.956 1.00 0.00 O ATOM 0 H ASP A 63 3.309 3.343 16.944 1.00 0.00 H new ATOM 0 HA ASP A 63 2.453 2.571 19.551 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.277 1.676 17.643 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.331 2.333 18.880 1.00 0.00 H new ATOM 964 N PRO A 64 4.883 4.896 19.424 1.00 0.00 N ATOM 965 CA PRO A 64 5.618 5.848 20.242 1.00 0.00 C ATOM 966 C PRO A 64 5.040 7.262 20.174 1.00 0.00 C ATOM 967 O PRO A 64 3.830 7.448 20.042 1.00 0.00 O ATOM 968 CB PRO A 64 7.019 5.811 19.606 1.00 0.00 C ATOM 969 CG PRO A 64 6.862 5.088 18.297 1.00 0.00 C ATOM 970 CD PRO A 64 5.385 4.965 18.055 1.00 0.00 C ATOM 0 HA PRO A 64 5.590 5.592 21.301 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.404 6.819 19.451 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.728 5.295 20.254 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.343 5.639 17.489 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.332 4.105 18.337 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.984 5.820 17.511 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.134 4.075 17.479 1.00 0.00 H new ATOM 978 N ASP A 65 5.925 8.251 20.242 1.00 0.00 N ATOM 979 CA ASP A 65 5.541 9.663 20.268 1.00 0.00 C ATOM 980 C ASP A 65 5.135 10.180 18.891 1.00 0.00 C ATOM 981 O ASP A 65 4.968 11.382 18.695 1.00 0.00 O ATOM 982 CB ASP A 65 6.700 10.503 20.805 1.00 0.00 C ATOM 983 CG ASP A 65 6.874 10.356 22.300 1.00 0.00 C ATOM 984 OD1 ASP A 65 7.596 9.434 22.732 1.00 0.00 O ATOM 985 OD2 ASP A 65 6.284 11.159 23.054 1.00 0.00 O ATOM 0 H ASP A 65 6.933 8.098 20.281 1.00 0.00 H new ATOM 0 HA ASP A 65 4.674 9.751 20.922 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.622 10.208 20.304 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.528 11.552 20.563 1.00 0.00 H new ATOM 990 N GLY A 66 4.983 9.278 17.942 1.00 0.00 N ATOM 991 CA GLY A 66 4.626 9.669 16.595 1.00 0.00 C ATOM 992 C GLY A 66 5.456 8.931 15.576 1.00 0.00 C ATOM 993 O GLY A 66 4.968 8.048 14.870 1.00 0.00 O ATOM 0 H GLY A 66 5.101 8.274 18.078 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.569 9.466 16.423 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.768 10.743 16.475 1.00 0.00 H new ATOM 997 N ASN A 67 6.727 9.278 15.545 1.00 0.00 N ATOM 998 CA ASN A 67 7.691 8.677 14.635 1.00 0.00 C ATOM 999 C ASN A 67 7.970 7.225 15.002 1.00 0.00 C ATOM 1000 O ASN A 67 7.891 6.851 16.170 1.00 0.00 O ATOM 1001 CB ASN A 67 8.996 9.475 14.697 1.00 0.00 C ATOM 1002 CG ASN A 67 9.438 9.725 16.131 1.00 0.00 C ATOM 1003 OD1 ASN A 67 9.048 10.721 16.744 1.00 0.00 O ATOM 1004 ND2 ASN A 67 10.241 8.830 16.682 1.00 0.00 N ATOM 0 H ASN A 67 7.127 9.991 16.155 1.00 0.00 H new ATOM 0 HA ASN A 67 7.276 8.698 13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.778 8.934 14.165 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.863 10.429 14.186 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.557 8.952 17.644 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.544 8.017 16.145 1.00 0.00 H new ATOM 1011 N LEU A 68 8.281 6.417 13.992 1.00 0.00 N ATOM 1012 CA LEU A 68 8.755 5.045 14.192 1.00 0.00 C ATOM 1013 C LEU A 68 7.663 4.115 14.722 1.00 0.00 C ATOM 1014 O LEU A 68 7.951 3.165 15.453 1.00 0.00 O ATOM 1015 CB LEU A 68 9.977 5.012 15.126 1.00 0.00 C ATOM 1016 CG LEU A 68 11.329 5.332 14.472 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.572 4.413 13.288 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.407 6.789 14.041 1.00 0.00 C ATOM 0 H LEU A 68 8.213 6.692 13.012 1.00 0.00 H new ATOM 0 HA LEU A 68 9.048 4.676 13.209 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.810 5.722 15.936 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.039 4.022 15.577 1.00 0.00 H new ATOM 0 HG LEU A 68 12.109 5.164 15.215 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.534 4.651 12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.577 3.377 13.627 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.780 4.550 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.377 6.981 13.582 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.617 6.998 13.320 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.284 7.433 14.912 1.00 0.00 H new ATOM 1030 N HIS A 69 6.413 4.368 14.348 1.00 0.00 N ATOM 1031 CA HIS A 69 5.328 3.450 14.678 1.00 0.00 C ATOM 1032 C HIS A 69 5.383 2.199 13.794 1.00 0.00 C ATOM 1033 O HIS A 69 4.529 1.984 12.939 1.00 0.00 O ATOM 1034 CB HIS A 69 3.961 4.149 14.562 1.00 0.00 C ATOM 1035 CG HIS A 69 3.733 4.900 13.274 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.988 6.249 13.131 1.00 0.00 N ATOM 1037 CD2 HIS A 69 3.248 4.488 12.077 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.670 6.627 11.908 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.220 5.582 11.246 1.00 0.00 N ATOM 0 H HIS A 69 6.127 5.193 13.821 1.00 0.00 H new ATOM 0 HA HIS A 69 5.456 3.135 15.714 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.177 3.400 14.671 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.855 4.845 15.394 1.00 0.00 H new ATOM 0 HD1 HIS A 69 4.364 6.858 13.858 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.940 3.484 11.823 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.763 7.628 11.515 1.00 0.00 H new ATOM 1048 N HIS A 70 6.404 1.380 14.010 1.00 0.00 N ATOM 1049 CA HIS A 70 6.618 0.188 13.199 1.00 0.00 C ATOM 1050 C HIS A 70 5.825 -0.998 13.751 1.00 0.00 C ATOM 1051 O HIS A 70 5.108 -1.674 13.007 1.00 0.00 O ATOM 1052 CB HIS A 70 8.115 -0.149 13.135 1.00 0.00 C ATOM 1053 CG HIS A 70 8.468 -1.220 12.139 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.715 -1.337 11.569 1.00 0.00 N ATOM 1055 CD2 HIS A 70 7.731 -2.231 11.623 1.00 0.00 C ATOM 1056 CE1 HIS A 70 9.730 -2.370 10.751 1.00 0.00 C ATOM 1057 NE2 HIS A 70 8.538 -2.936 10.763 1.00 0.00 N ATOM 0 H HIS A 70 7.100 1.520 14.743 1.00 0.00 H new ATOM 0 HA HIS A 70 6.261 0.392 12.189 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.669 0.757 12.888 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.446 -0.466 14.124 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.696 -2.445 11.847 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.577 -2.699 10.168 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.262 -3.758 10.225 1.00 0.00 H new ATOM 1066 N GLY A 71 5.942 -1.229 15.057 1.00 0.00 N ATOM 1067 CA GLY A 71 5.338 -2.400 15.671 1.00 0.00 C ATOM 1068 C GLY A 71 3.843 -2.461 15.458 1.00 0.00 C ATOM 1069 O GLY A 71 3.321 -3.455 14.947 1.00 0.00 O ATOM 0 H GLY A 71 6.447 -0.623 15.703 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.797 -3.299 15.260 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.549 -2.395 16.740 1.00 0.00 H new ATOM 1073 N ASN A 72 3.158 -1.388 15.822 1.00 0.00 N ATOM 1074 CA ASN A 72 1.707 -1.321 15.667 1.00 0.00 C ATOM 1075 C ASN A 72 1.277 -1.426 14.208 1.00 0.00 C ATOM 1076 O ASN A 72 0.185 -1.894 13.927 1.00 0.00 O ATOM 1077 CB ASN A 72 1.129 -0.042 16.283 1.00 0.00 C ATOM 1078 CG ASN A 72 0.985 -0.132 17.790 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.894 -1.220 18.353 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.923 1.015 18.447 1.00 0.00 N ATOM 0 H ASN A 72 3.579 -0.552 16.226 1.00 0.00 H new ATOM 0 HA ASN A 72 1.307 -2.181 16.204 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.774 0.800 16.033 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.154 0.161 15.840 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.795 1.017 19.459 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.003 1.897 17.941 1.00 0.00 H new ATOM 1087 N ALA A 73 2.128 -1.007 13.273 1.00 0.00 N ATOM 1088 CA ALA A 73 1.775 -1.061 11.858 1.00 0.00 C ATOM 1089 C ALA A 73 1.746 -2.504 11.365 1.00 0.00 C ATOM 1090 O ALA A 73 0.883 -2.894 10.572 1.00 0.00 O ATOM 1091 CB ALA A 73 2.754 -0.234 11.037 1.00 0.00 C ATOM 0 H ALA A 73 3.056 -0.631 13.467 1.00 0.00 H new ATOM 0 HA ALA A 73 0.777 -0.640 11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.478 -0.284 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.724 0.803 11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.762 -0.628 11.167 1.00 0.00 H new ATOM 1097 N LYS A 74 2.663 -3.314 11.877 1.00 0.00 N ATOM 1098 CA LYS A 74 2.720 -4.712 11.489 1.00 0.00 C ATOM 1099 C LYS A 74 1.671 -5.504 12.251 1.00 0.00 C ATOM 1100 O LYS A 74 1.068 -6.429 11.713 1.00 0.00 O ATOM 1101 CB LYS A 74 4.111 -5.290 11.722 1.00 0.00 C ATOM 1102 CG LYS A 74 5.176 -4.610 10.885 1.00 0.00 C ATOM 1103 CD LYS A 74 4.831 -4.612 9.399 1.00 0.00 C ATOM 1104 CE LYS A 74 4.934 -6.004 8.788 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.627 -5.995 7.332 1.00 0.00 N ATOM 0 H LYS A 74 3.370 -3.029 12.555 1.00 0.00 H new ATOM 0 HA LYS A 74 2.508 -4.784 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.368 -5.194 12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.100 -6.356 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.302 -3.582 11.225 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.130 -5.114 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.819 -4.230 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.502 -3.934 8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.939 -6.396 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.246 -6.677 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.708 -6.961 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.659 -5.645 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.299 -5.373 6.839 1.00 0.00 H new ATOM 1119 N ASP A 75 1.448 -5.118 13.501 1.00 0.00 N ATOM 1120 CA ASP A 75 0.372 -5.695 14.299 1.00 0.00 C ATOM 1121 C ASP A 75 -0.984 -5.347 13.694 1.00 0.00 C ATOM 1122 O ASP A 75 -1.897 -6.167 13.689 1.00 0.00 O ATOM 1123 CB ASP A 75 0.440 -5.198 15.745 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.764 -5.625 16.566 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -0.884 -6.827 16.883 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.597 -4.754 16.898 1.00 0.00 O ATOM 0 H ASP A 75 1.998 -4.408 13.985 1.00 0.00 H new ATOM 0 HA ASP A 75 0.494 -6.778 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.348 -5.578 16.214 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.510 -4.110 15.749 1.00 0.00 H new ATOM 1131 N PHE A 76 -1.103 -4.131 13.173 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.338 -3.681 12.542 1.00 0.00 C ATOM 1133 C PHE A 76 -2.643 -4.534 11.316 1.00 0.00 C ATOM 1134 O PHE A 76 -3.800 -4.835 11.034 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.229 -2.202 12.153 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.540 -1.565 11.791 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.364 -1.043 12.774 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.945 -1.486 10.471 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.570 -0.452 12.446 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -5.149 -0.896 10.135 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.963 -0.380 11.124 1.00 0.00 C ATOM 0 H PHE A 76 -0.356 -3.437 13.175 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.156 -3.791 13.254 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.786 -1.651 12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.547 -2.109 11.308 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.061 -1.098 13.809 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.313 -1.890 9.694 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.203 -0.048 13.222 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.453 -0.839 9.100 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.905 0.079 10.864 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.597 -4.935 10.604 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.754 -5.817 9.451 1.00 0.00 C ATOM 1153 C ALA A 77 -2.155 -7.222 9.889 1.00 0.00 C ATOM 1154 O ALA A 77 -2.944 -7.893 9.221 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.462 -5.880 8.655 1.00 0.00 C ATOM 0 H ALA A 77 -0.634 -4.665 10.803 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.545 -5.409 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.594 -6.541 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.201 -4.881 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.338 -6.263 9.289 1.00 0.00 H new ATOM 1161 N MET A 78 -1.602 -7.661 11.010 1.00 0.00 N ATOM 1162 CA MET A 78 -1.895 -8.990 11.543 1.00 0.00 C ATOM 1163 C MET A 78 -3.282 -9.043 12.169 1.00 0.00 C ATOM 1164 O MET A 78 -3.997 -10.034 12.033 1.00 0.00 O ATOM 1165 CB MET A 78 -0.852 -9.394 12.587 1.00 0.00 C ATOM 1166 CG MET A 78 0.547 -9.556 12.021 1.00 0.00 C ATOM 1167 SD MET A 78 1.768 -9.975 13.279 1.00 0.00 S ATOM 1168 CE MET A 78 1.052 -11.468 13.958 1.00 0.00 C ATOM 0 H MET A 78 -0.946 -7.118 11.571 1.00 0.00 H new ATOM 0 HA MET A 78 -1.862 -9.690 10.708 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.830 -8.642 13.376 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.158 -10.332 13.049 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.537 -10.334 11.258 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.844 -8.630 11.528 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.845 -12.179 14.189 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.504 -11.227 14.869 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.370 -11.908 13.230 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.661 -7.980 12.856 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.940 -7.940 13.534 1.00 0.00 C ATOM 1180 C LYS A 79 -6.045 -7.547 12.557 1.00 0.00 C ATOM 1181 O LYS A 79 -7.231 -7.677 12.861 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.875 -6.957 14.714 1.00 0.00 C ATOM 1183 CG LYS A 79 -5.888 -7.233 15.811 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.756 -6.217 16.934 1.00 0.00 C ATOM 1185 CE LYS A 79 -6.451 -6.680 18.202 1.00 0.00 C ATOM 1186 NZ LYS A 79 -5.877 -7.951 18.716 1.00 0.00 N ATOM 0 H LYS A 79 -3.100 -7.134 12.958 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.170 -8.932 13.923 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.874 -6.988 15.143 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.029 -5.945 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.896 -7.197 15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.740 -8.239 16.205 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.701 -6.041 17.142 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.181 -5.265 16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.365 -5.907 18.966 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.514 -6.816 18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.062 -8.028 19.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.316 -8.755 18.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.851 -7.961 18.549 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.653 -7.071 11.374 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.616 -6.624 10.373 1.00 0.00 C ATOM 1202 C HIS A 80 -6.120 -6.962 8.973 1.00 0.00 C ATOM 1203 O HIS A 80 -5.336 -6.215 8.395 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.849 -5.105 10.460 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.158 -4.603 11.836 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.420 -4.623 12.381 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.349 -4.069 12.782 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.377 -4.126 13.603 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.131 -3.784 13.870 1.00 0.00 N ATOM 0 H HIS A 80 -4.677 -6.986 11.088 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.555 -7.140 10.572 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.961 -4.592 10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.671 -4.837 9.796 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.286 -3.900 12.695 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.219 -4.018 14.271 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.803 -3.374 14.745 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.545 -8.098 8.441 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.236 -8.413 7.062 1.00 0.00 C ATOM 1220 C GLY A 81 -5.454 -9.699 6.899 1.00 0.00 C ATOM 1221 O GLY A 81 -5.954 -10.661 6.314 1.00 0.00 O ATOM 0 H GLY A 81 -7.094 -8.802 8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.165 -8.488 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.665 -7.592 6.629 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.232 -9.727 7.411 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.360 -10.875 7.215 1.00 0.00 C ATOM 1227 C ALA A 82 -3.246 -11.717 8.470 1.00 0.00 C ATOM 1228 O ALA A 82 -3.134 -11.194 9.575 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.972 -10.438 6.760 1.00 0.00 C ATOM 0 H ALA A 82 -3.824 -8.972 7.962 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.814 -11.486 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.341 -11.316 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.052 -9.896 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.529 -9.789 7.515 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.276 -13.025 8.290 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.011 -13.943 9.380 1.00 0.00 C ATOM 1237 C ASP A 83 -1.523 -14.120 9.508 1.00 0.00 C ATOM 1238 O ASP A 83 -0.752 -13.630 8.671 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.676 -15.294 9.177 1.00 0.00 C ATOM 1240 CG ASP A 83 -2.870 -16.213 8.295 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -2.892 -16.026 7.065 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.210 -17.124 8.841 1.00 0.00 O ATOM 0 H ASP A 83 -3.482 -13.475 7.398 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.431 -13.518 10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.828 -15.769 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.662 -15.146 8.736 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.117 -14.839 10.529 1.00 0.00 N ATOM 1248 CA GLU A 84 0.247 -14.853 10.914 1.00 0.00 C ATOM 1249 C GLU A 84 1.152 -15.407 9.826 1.00 0.00 C ATOM 1250 O GLU A 84 2.263 -14.929 9.662 1.00 0.00 O ATOM 1251 CB GLU A 84 0.440 -15.639 12.205 1.00 0.00 C ATOM 1252 CG GLU A 84 0.195 -14.826 13.462 1.00 0.00 C ATOM 1253 CD GLU A 84 0.664 -15.543 14.706 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.610 -16.358 14.606 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.097 -15.294 15.787 1.00 0.00 O ATOM 0 H GLU A 84 -1.728 -15.421 11.102 1.00 0.00 H new ATOM 0 HA GLU A 84 0.533 -13.815 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.234 -16.496 12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.456 -16.032 12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.711 -13.869 13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.869 -14.608 13.550 1.00 0.00 H new ATOM 1262 N THR A 85 0.682 -16.393 9.071 1.00 0.00 N ATOM 1263 CA THR A 85 1.529 -17.004 8.057 1.00 0.00 C ATOM 1264 C THR A 85 1.944 -15.974 7.005 1.00 0.00 C ATOM 1265 O THR A 85 3.097 -15.946 6.600 1.00 0.00 O ATOM 1266 CB THR A 85 0.877 -18.231 7.373 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.817 -18.855 6.490 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.360 -17.849 6.589 1.00 0.00 C ATOM 0 H THR A 85 -0.260 -16.779 9.139 1.00 0.00 H new ATOM 0 HA THR A 85 2.413 -17.368 8.580 1.00 0.00 H new ATOM 0 HB THR A 85 0.581 -18.924 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.399 -19.631 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.786 -18.739 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.093 -17.403 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.093 -17.129 5.815 1.00 0.00 H new ATOM 1276 N MET A 86 1.039 -15.067 6.627 1.00 0.00 N ATOM 1277 CA MET A 86 1.325 -14.143 5.543 1.00 0.00 C ATOM 1278 C MET A 86 2.152 -12.996 6.070 1.00 0.00 C ATOM 1279 O MET A 86 3.101 -12.543 5.429 1.00 0.00 O ATOM 1280 CB MET A 86 0.031 -13.643 4.897 1.00 0.00 C ATOM 1281 CG MET A 86 -0.862 -14.775 4.441 1.00 0.00 C ATOM 1282 SD MET A 86 -2.313 -14.220 3.522 1.00 0.00 S ATOM 1283 CE MET A 86 -3.230 -13.357 4.792 1.00 0.00 C ATOM 0 H MET A 86 0.118 -14.958 7.052 1.00 0.00 H new ATOM 0 HA MET A 86 1.893 -14.661 4.770 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.511 -13.021 5.610 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.275 -13.010 4.044 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.283 -15.455 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.189 -15.343 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.168 -13.878 4.981 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.641 -13.326 5.709 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.440 -12.340 4.461 1.00 0.00 H new ATOM 1293 N ALA A 87 1.812 -12.561 7.268 1.00 0.00 N ATOM 1294 CA ALA A 87 2.593 -11.565 7.953 1.00 0.00 C ATOM 1295 C ALA A 87 4.003 -12.094 8.170 1.00 0.00 C ATOM 1296 O ALA A 87 4.979 -11.379 7.973 1.00 0.00 O ATOM 1297 CB ALA A 87 1.931 -11.223 9.274 1.00 0.00 C ATOM 0 H ALA A 87 0.995 -12.887 7.784 1.00 0.00 H new ATOM 0 HA ALA A 87 2.652 -10.657 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.522 -10.469 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.929 -10.835 9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.865 -12.119 9.891 1.00 0.00 H new ATOM 1303 N GLN A 88 4.097 -13.375 8.507 1.00 0.00 N ATOM 1304 CA GLN A 88 5.387 -13.995 8.808 1.00 0.00 C ATOM 1305 C GLN A 88 6.211 -14.222 7.547 1.00 0.00 C ATOM 1306 O GLN A 88 7.442 -14.240 7.600 1.00 0.00 O ATOM 1307 CB GLN A 88 5.197 -15.313 9.552 1.00 0.00 C ATOM 1308 CG GLN A 88 5.432 -15.192 11.051 1.00 0.00 C ATOM 1309 CD GLN A 88 4.753 -13.975 11.655 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.330 -12.890 11.708 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.525 -14.139 12.121 1.00 0.00 N ATOM 0 H GLN A 88 3.299 -14.006 8.579 1.00 0.00 H new ATOM 0 HA GLN A 88 5.934 -13.303 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.185 -15.679 9.377 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.880 -16.057 9.142 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.064 -16.091 11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.504 -15.138 11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.075 -15.052 12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.029 -13.352 12.539 1.00 0.00 H new ATOM 1320 N GLN A 89 5.546 -14.368 6.407 1.00 0.00 N ATOM 1321 CA GLN A 89 6.266 -14.524 5.153 1.00 0.00 C ATOM 1322 C GLN A 89 6.764 -13.166 4.677 1.00 0.00 C ATOM 1323 O GLN A 89 7.740 -13.082 3.935 1.00 0.00 O ATOM 1324 CB GLN A 89 5.415 -15.194 4.056 1.00 0.00 C ATOM 1325 CG GLN A 89 4.804 -16.531 4.451 1.00 0.00 C ATOM 1326 CD GLN A 89 5.794 -17.481 5.092 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.985 -17.482 4.771 1.00 0.00 O ATOM 1328 NE2 GLN A 89 5.304 -18.296 6.014 1.00 0.00 N ATOM 0 H GLN A 89 4.529 -14.381 6.326 1.00 0.00 H new ATOM 0 HA GLN A 89 7.111 -15.186 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.613 -14.513 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.036 -15.341 3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.981 -16.355 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.380 -17.004 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.312 -18.262 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.919 -18.957 6.489 1.00 0.00 H new ATOM 1337 N LEU A 90 6.105 -12.099 5.129 1.00 0.00 N ATOM 1338 CA LEU A 90 6.495 -10.752 4.742 1.00 0.00 C ATOM 1339 C LEU A 90 7.604 -10.223 5.648 1.00 0.00 C ATOM 1340 O LEU A 90 8.627 -9.738 5.169 1.00 0.00 O ATOM 1341 CB LEU A 90 5.292 -9.796 4.786 1.00 0.00 C ATOM 1342 CG LEU A 90 4.572 -9.543 3.453 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.513 -8.919 2.432 1.00 0.00 C ATOM 1344 CD2 LEU A 90 3.971 -10.826 2.910 1.00 0.00 C ATOM 0 H LEU A 90 5.304 -12.145 5.759 1.00 0.00 H new ATOM 0 HA LEU A 90 6.868 -10.801 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.566 -10.192 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.631 -8.837 5.178 1.00 0.00 H new ATOM 0 HG LEU A 90 3.762 -8.839 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.977 -8.751 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.885 -7.968 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.352 -9.591 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.467 -10.620 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.762 -11.558 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.252 -11.223 3.627 1.00 0.00 H new ATOM 1356 N VAL A 91 7.403 -10.352 6.957 1.00 0.00 N ATOM 1357 CA VAL A 91 8.295 -9.750 7.950 1.00 0.00 C ATOM 1358 C VAL A 91 9.745 -10.221 7.805 1.00 0.00 C ATOM 1359 O VAL A 91 10.679 -9.423 7.921 1.00 0.00 O ATOM 1360 CB VAL A 91 7.807 -10.071 9.382 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.487 -9.376 9.677 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.676 -11.563 9.564 1.00 0.00 C ATOM 0 H VAL A 91 6.624 -10.873 7.359 1.00 0.00 H new ATOM 0 HA VAL A 91 8.269 -8.675 7.772 1.00 0.00 H new ATOM 0 HB VAL A 91 8.547 -9.696 10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.167 -9.619 10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.615 -8.297 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.732 -9.713 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.332 -11.777 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.957 -11.955 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.645 -12.036 9.403 1.00 0.00 H new ATOM 1372 N ASP A 92 9.932 -11.501 7.509 1.00 0.00 N ATOM 1373 CA ASP A 92 11.266 -12.067 7.423 1.00 0.00 C ATOM 1374 C ASP A 92 11.991 -11.537 6.201 1.00 0.00 C ATOM 1375 O ASP A 92 13.162 -11.158 6.275 1.00 0.00 O ATOM 1376 CB ASP A 92 11.213 -13.595 7.407 1.00 0.00 C ATOM 1377 CG ASP A 92 12.594 -14.202 7.303 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.323 -14.197 8.315 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.957 -14.682 6.213 1.00 0.00 O ATOM 0 H ASP A 92 9.178 -12.162 7.326 1.00 0.00 H new ATOM 0 HA ASP A 92 11.823 -11.763 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.726 -13.952 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.604 -13.929 6.567 1.00 0.00 H new ATOM 1384 N ILE A 93 11.280 -11.476 5.084 1.00 0.00 N ATOM 1385 CA ILE A 93 11.841 -10.942 3.858 1.00 0.00 C ATOM 1386 C ILE A 93 12.191 -9.476 4.033 1.00 0.00 C ATOM 1387 O ILE A 93 13.247 -9.029 3.594 1.00 0.00 O ATOM 1388 CB ILE A 93 10.877 -11.110 2.673 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.944 -12.536 2.141 1.00 0.00 C ATOM 1390 CG2 ILE A 93 11.178 -10.111 1.572 1.00 0.00 C ATOM 1391 CD1 ILE A 93 12.357 -13.052 1.963 1.00 0.00 C ATOM 0 H ILE A 93 10.313 -11.791 5.005 1.00 0.00 H new ATOM 0 HA ILE A 93 12.747 -11.507 3.639 1.00 0.00 H new ATOM 0 HB ILE A 93 9.865 -10.914 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.409 -13.195 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.426 -12.582 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.479 -10.256 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.075 -9.098 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.197 -10.260 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.326 -14.073 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.890 -12.416 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.873 -13.039 2.923 1.00 0.00 H new ATOM 1403 N ILE A 94 11.303 -8.736 4.690 1.00 0.00 N ATOM 1404 CA ILE A 94 11.544 -7.325 4.966 1.00 0.00 C ATOM 1405 C ILE A 94 12.902 -7.132 5.622 1.00 0.00 C ATOM 1406 O ILE A 94 13.698 -6.304 5.189 1.00 0.00 O ATOM 1407 CB ILE A 94 10.464 -6.714 5.869 1.00 0.00 C ATOM 1408 CG1 ILE A 94 9.110 -6.800 5.180 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.802 -5.266 6.209 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.998 -6.193 5.987 1.00 0.00 C ATOM 0 H ILE A 94 10.413 -9.089 5.040 1.00 0.00 H new ATOM 0 HA ILE A 94 11.516 -6.812 4.004 1.00 0.00 H new ATOM 0 HB ILE A 94 10.424 -7.277 6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 94 9.167 -6.296 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.877 -7.846 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.024 -4.852 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.759 -5.228 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.865 -4.682 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.059 -6.286 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.916 -6.713 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.211 -5.139 6.165 1.00 0.00 H new ATOM 1422 N HIS A 95 13.186 -7.935 6.636 1.00 0.00 N ATOM 1423 CA HIS A 95 14.424 -7.764 7.394 1.00 0.00 C ATOM 1424 C HIS A 95 15.630 -8.181 6.556 1.00 0.00 C ATOM 1425 O HIS A 95 16.678 -7.528 6.575 1.00 0.00 O ATOM 1426 CB HIS A 95 14.401 -8.585 8.693 1.00 0.00 C ATOM 1427 CG HIS A 95 13.182 -8.377 9.535 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.696 -9.337 10.394 1.00 0.00 N ATOM 1429 CD2 HIS A 95 12.359 -7.308 9.664 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.633 -8.868 11.018 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.408 -7.638 10.595 1.00 0.00 N ATOM 0 H HIS A 95 12.590 -8.700 6.952 1.00 0.00 H new ATOM 0 HA HIS A 95 14.506 -6.707 7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.477 -9.643 8.441 1.00 0.00 H new ATOM 0 HB3 HIS A 95 15.282 -8.333 9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.438 -6.371 9.133 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.046 -9.400 11.751 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.650 -7.032 10.909 1.00 0.00 H new ATOM 1440 N GLY A 96 15.446 -9.216 5.757 1.00 0.00 N ATOM 1441 CA GLY A 96 16.556 -9.804 5.047 1.00 0.00 C ATOM 1442 C GLY A 96 16.854 -9.087 3.755 1.00 0.00 C ATOM 1443 O GLY A 96 17.998 -8.718 3.494 1.00 0.00 O ATOM 0 H GLY A 96 14.544 -9.661 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.441 -9.786 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.336 -10.851 4.837 1.00 0.00 H new ATOM 1447 N CYS A 97 15.825 -8.866 2.956 1.00 0.00 N ATOM 1448 CA CYS A 97 16.003 -8.234 1.672 1.00 0.00 C ATOM 1449 C CYS A 97 16.334 -6.755 1.836 1.00 0.00 C ATOM 1450 O CYS A 97 17.116 -6.234 1.059 1.00 0.00 O ATOM 1451 CB CYS A 97 14.777 -8.432 0.779 1.00 0.00 C ATOM 1452 SG CYS A 97 14.299 -10.186 0.566 1.00 0.00 S ATOM 0 H CYS A 97 14.861 -9.116 3.178 1.00 0.00 H new ATOM 0 HA CYS A 97 16.848 -8.714 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.936 -7.884 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.978 -7.998 -0.200 1.00 0.00 H new ATOM 1457 N GLU A 98 15.754 -6.073 2.839 1.00 0.00 N ATOM 1458 CA GLU A 98 16.163 -4.694 3.135 1.00 0.00 C ATOM 1459 C GLU A 98 17.619 -4.644 3.588 1.00 0.00 C ATOM 1460 O GLU A 98 18.346 -3.714 3.236 1.00 0.00 O ATOM 1461 CB GLU A 98 15.291 -4.041 4.211 1.00 0.00 C ATOM 1462 CG GLU A 98 14.555 -2.799 3.733 1.00 0.00 C ATOM 1463 CD GLU A 98 14.074 -1.926 4.878 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.249 -2.394 5.686 1.00 0.00 O ATOM 1465 OE2 GLU A 98 14.524 -0.763 4.978 1.00 0.00 O ATOM 0 H GLU A 98 15.020 -6.444 3.443 1.00 0.00 H new ATOM 0 HA GLU A 98 16.039 -4.136 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.562 -4.770 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.918 -3.776 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.214 -2.216 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.700 -3.099 3.126 1.00 0.00 H new ATOM 1472 N LYS A 99 18.053 -5.641 4.363 1.00 0.00 N ATOM 1473 CA LYS A 99 19.438 -5.694 4.812 1.00 0.00 C ATOM 1474 C LYS A 99 20.383 -5.864 3.620 1.00 0.00 C ATOM 1475 O LYS A 99 21.475 -5.295 3.589 1.00 0.00 O ATOM 1476 CB LYS A 99 19.631 -6.841 5.811 1.00 0.00 C ATOM 1477 CG LYS A 99 21.061 -6.984 6.292 1.00 0.00 C ATOM 1478 CD LYS A 99 21.212 -8.105 7.308 1.00 0.00 C ATOM 1479 CE LYS A 99 22.651 -8.218 7.784 1.00 0.00 C ATOM 1480 NZ LYS A 99 22.823 -9.267 8.820 1.00 0.00 N ATOM 0 H LYS A 99 17.470 -6.412 4.687 1.00 0.00 H new ATOM 0 HA LYS A 99 19.675 -4.754 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.981 -6.678 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 99 19.316 -7.775 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 99 21.712 -7.177 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.389 -6.045 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.557 -7.920 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.897 -9.049 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 99 23.296 -8.441 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.975 -7.258 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.820 -9.306 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.229 -9.042 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.540 -10.189 8.431 1.00 0.00 H new ATOM 1494 N SER A 100 19.943 -6.622 2.631 1.00 0.00 N ATOM 1495 CA SER A 100 20.750 -6.887 1.449 1.00 0.00 C ATOM 1496 C SER A 100 20.208 -6.126 0.234 1.00 0.00 C ATOM 1497 O SER A 100 20.432 -6.522 -0.910 1.00 0.00 O ATOM 1498 CB SER A 100 20.765 -8.392 1.178 1.00 0.00 C ATOM 1499 OG SER A 100 21.170 -9.108 2.336 1.00 0.00 O ATOM 0 H SER A 100 19.026 -7.068 2.622 1.00 0.00 H new ATOM 0 HA SER A 100 21.768 -6.541 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.772 -8.721 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.443 -8.611 0.353 1.00 0.00 H new ATOM 0 HG SER A 100 21.171 -10.069 2.143 1.00 0.00 H new ATOM 1505 N ALA A 101 19.517 -5.021 0.489 1.00 0.00 N ATOM 1506 CA ALA A 101 18.870 -4.257 -0.575 1.00 0.00 C ATOM 1507 C ALA A 101 19.814 -3.239 -1.187 1.00 0.00 C ATOM 1508 O ALA A 101 20.715 -2.732 -0.514 1.00 0.00 O ATOM 1509 CB ALA A 101 17.634 -3.543 -0.043 1.00 0.00 C ATOM 0 H ALA A 101 19.389 -4.633 1.423 1.00 0.00 H new ATOM 0 HA ALA A 101 18.578 -4.966 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.165 -2.979 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.928 -4.278 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.924 -2.861 0.756 1.00 0.00 H new ATOM 1515 N PRO A 102 19.628 -2.935 -2.480 1.00 0.00 N ATOM 1516 CA PRO A 102 20.331 -1.835 -3.133 1.00 0.00 C ATOM 1517 C PRO A 102 20.021 -0.518 -2.430 1.00 0.00 C ATOM 1518 O PRO A 102 18.934 -0.357 -1.869 1.00 0.00 O ATOM 1519 CB PRO A 102 19.766 -1.826 -4.560 1.00 0.00 C ATOM 1520 CG PRO A 102 19.179 -3.180 -4.757 1.00 0.00 C ATOM 1521 CD PRO A 102 18.721 -3.639 -3.403 1.00 0.00 C ATOM 0 HA PRO A 102 21.414 -1.954 -3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.011 -1.049 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 102 20.549 -1.626 -5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.346 -3.145 -5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.916 -3.867 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.679 -3.376 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.800 -4.721 -3.297 1.00 0.00 H new ATOM 1529 N PRO A 103 20.968 0.431 -2.433 1.00 0.00 N ATOM 1530 CA PRO A 103 20.809 1.715 -1.745 1.00 0.00 C ATOM 1531 C PRO A 103 19.720 2.594 -2.358 1.00 0.00 C ATOM 1532 O PRO A 103 20.007 3.587 -3.030 1.00 0.00 O ATOM 1533 CB PRO A 103 22.182 2.386 -1.887 1.00 0.00 C ATOM 1534 CG PRO A 103 23.110 1.300 -2.310 1.00 0.00 C ATOM 1535 CD PRO A 103 22.275 0.325 -3.088 1.00 0.00 C ATOM 0 HA PRO A 103 20.497 1.569 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 103 22.153 3.188 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 103 22.501 2.831 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 103 23.921 1.695 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.568 0.819 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.222 0.589 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.676 -0.687 -3.032 1.00 0.00 H new ATOM 1543 N ASN A 104 18.473 2.204 -2.154 1.00 0.00 N ATOM 1544 CA ASN A 104 17.351 3.045 -2.517 1.00 0.00 C ATOM 1545 C ASN A 104 16.862 3.737 -1.263 1.00 0.00 C ATOM 1546 O ASN A 104 16.039 3.195 -0.522 1.00 0.00 O ATOM 1547 CB ASN A 104 16.201 2.231 -3.128 1.00 0.00 C ATOM 1548 CG ASN A 104 16.609 1.412 -4.339 1.00 0.00 C ATOM 1549 OD1 ASN A 104 16.603 1.900 -5.469 1.00 0.00 O ATOM 1550 ND2 ASN A 104 16.941 0.150 -4.115 1.00 0.00 N ATOM 0 H ASN A 104 18.215 1.309 -1.738 1.00 0.00 H new ATOM 0 HA ASN A 104 17.678 3.765 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.797 1.563 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.398 2.911 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 104 17.204 -0.454 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.934 -0.218 -3.164 1.00 0.00 H new ATOM 1557 N ASP A 105 17.391 4.918 -1.007 1.00 0.00 N ATOM 1558 CA ASP A 105 17.046 5.647 0.198 1.00 0.00 C ATOM 1559 C ASP A 105 15.730 6.378 0.031 1.00 0.00 C ATOM 1560 O ASP A 105 15.700 7.581 -0.231 1.00 0.00 O ATOM 1561 CB ASP A 105 18.162 6.612 0.602 1.00 0.00 C ATOM 1562 CG ASP A 105 19.309 5.900 1.288 1.00 0.00 C ATOM 1563 OD1 ASP A 105 19.253 5.735 2.528 1.00 0.00 O ATOM 1564 OD2 ASP A 105 20.264 5.492 0.599 1.00 0.00 O ATOM 0 H ASP A 105 18.059 5.392 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 105 16.929 4.921 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.533 7.127 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.758 7.374 1.268 1.00 0.00 H new ATOM 1569 N ASP A 106 14.645 5.630 0.124 1.00 0.00 N ATOM 1570 CA ASP A 106 13.315 6.211 0.113 1.00 0.00 C ATOM 1571 C ASP A 106 12.379 5.428 1.016 1.00 0.00 C ATOM 1572 O ASP A 106 12.287 4.198 0.915 1.00 0.00 O ATOM 1573 CB ASP A 106 12.733 6.267 -1.298 1.00 0.00 C ATOM 1574 CG ASP A 106 11.334 6.856 -1.306 1.00 0.00 C ATOM 1575 OD1 ASP A 106 10.363 6.103 -1.072 1.00 0.00 O ATOM 1576 OD2 ASP A 106 11.207 8.078 -1.527 1.00 0.00 O ATOM 0 H ASP A 106 14.660 4.614 0.208 1.00 0.00 H new ATOM 0 HA ASP A 106 13.409 7.231 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 106 13.383 6.865 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 106 12.707 5.263 -1.721 1.00 0.00 H new ATOM 1581 N LYS A 107 11.717 6.173 1.896 1.00 0.00 N ATOM 1582 CA LYS A 107 10.665 5.674 2.791 1.00 0.00 C ATOM 1583 C LYS A 107 9.868 4.476 2.236 1.00 0.00 C ATOM 1584 O LYS A 107 9.780 3.440 2.894 1.00 0.00 O ATOM 1585 CB LYS A 107 9.719 6.835 3.088 1.00 0.00 C ATOM 1586 CG LYS A 107 8.506 6.483 3.933 1.00 0.00 C ATOM 1587 CD LYS A 107 7.588 7.687 4.056 1.00 0.00 C ATOM 1588 CE LYS A 107 7.132 8.166 2.684 1.00 0.00 C ATOM 1589 NZ LYS A 107 7.032 9.647 2.614 1.00 0.00 N ATOM 0 H LYS A 107 11.899 7.170 2.014 1.00 0.00 H new ATOM 0 HA LYS A 107 11.153 5.299 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.280 7.619 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.374 7.252 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.968 5.650 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.825 6.157 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.720 7.427 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.107 8.494 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.832 7.814 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.162 7.726 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.719 9.929 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.345 9.982 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.963 10.067 2.811 1.00 0.00 H new ATOM 1603 N CYS A 108 9.269 4.607 1.055 1.00 0.00 N ATOM 1604 CA CYS A 108 8.459 3.526 0.509 1.00 0.00 C ATOM 1605 C CYS A 108 9.245 2.600 -0.426 1.00 0.00 C ATOM 1606 O CYS A 108 8.810 1.480 -0.685 1.00 0.00 O ATOM 1607 CB CYS A 108 7.249 4.097 -0.226 1.00 0.00 C ATOM 1608 SG CYS A 108 5.656 3.811 0.616 1.00 0.00 S ATOM 0 H CYS A 108 9.328 5.438 0.467 1.00 0.00 H new ATOM 0 HA CYS A 108 8.133 2.922 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.391 5.170 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.204 3.658 -1.223 1.00 0.00 H new ATOM 1613 N MET A 109 10.407 3.032 -0.912 1.00 0.00 N ATOM 1614 CA MET A 109 11.120 2.259 -1.924 1.00 0.00 C ATOM 1615 C MET A 109 11.778 1.024 -1.329 1.00 0.00 C ATOM 1616 O MET A 109 11.886 -0.009 -1.992 1.00 0.00 O ATOM 1617 CB MET A 109 12.158 3.111 -2.651 1.00 0.00 C ATOM 1618 CG MET A 109 11.548 4.077 -3.649 1.00 0.00 C ATOM 1619 SD MET A 109 10.589 3.245 -4.930 1.00 0.00 S ATOM 1620 CE MET A 109 11.868 2.305 -5.763 1.00 0.00 C ATOM 0 H MET A 109 10.867 3.897 -0.628 1.00 0.00 H new ATOM 0 HA MET A 109 10.376 1.931 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.735 3.674 -1.917 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.857 2.455 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 109 10.906 4.781 -3.120 1.00 0.00 H new ATOM 0 HG3 MET A 109 12.342 4.659 -4.116 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.500 1.969 -6.732 1.00 0.00 H new ATOM 0 HE2 MET A 109 12.747 2.934 -5.907 1.00 0.00 H new ATOM 0 HE3 MET A 109 12.136 1.440 -5.157 1.00 0.00 H new ATOM 1630 N LYS A 110 12.206 1.116 -0.076 1.00 0.00 N ATOM 1631 CA LYS A 110 12.813 -0.044 0.587 1.00 0.00 C ATOM 1632 C LYS A 110 11.795 -1.169 0.694 1.00 0.00 C ATOM 1633 O LYS A 110 12.059 -2.317 0.334 1.00 0.00 O ATOM 1634 CB LYS A 110 13.333 0.302 1.989 1.00 0.00 C ATOM 1635 CG LYS A 110 12.293 0.885 2.933 1.00 0.00 C ATOM 1636 CD LYS A 110 12.542 2.350 3.218 1.00 0.00 C ATOM 1637 CE LYS A 110 13.852 2.578 3.953 1.00 0.00 C ATOM 1638 NZ LYS A 110 13.892 1.874 5.262 1.00 0.00 N ATOM 0 H LYS A 110 12.149 1.959 0.496 1.00 0.00 H new ATOM 0 HA LYS A 110 13.662 -0.359 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.746 -0.600 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.153 1.014 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.301 0.764 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.301 0.327 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.553 2.904 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.720 2.747 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.679 2.234 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.996 3.647 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 14.377 2.471 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.921 1.682 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 14.406 0.976 5.158 1.00 0.00 H new ATOM 1652 N THR A 111 10.631 -0.803 1.188 1.00 0.00 N ATOM 1653 CA THR A 111 9.494 -1.686 1.300 1.00 0.00 C ATOM 1654 C THR A 111 9.071 -2.275 -0.057 1.00 0.00 C ATOM 1655 O THR A 111 8.347 -3.269 -0.105 1.00 0.00 O ATOM 1656 CB THR A 111 8.341 -0.921 1.996 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.987 -1.582 3.216 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.093 -0.767 1.118 1.00 0.00 C ATOM 0 H THR A 111 10.447 0.140 1.530 1.00 0.00 H new ATOM 0 HA THR A 111 9.770 -2.547 1.908 1.00 0.00 H new ATOM 0 HB THR A 111 8.713 0.084 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.259 -1.093 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.326 -0.222 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.350 -0.217 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.714 -1.753 0.848 1.00 0.00 H new ATOM 1666 N ILE A 112 9.567 -1.712 -1.158 1.00 0.00 N ATOM 1667 CA ILE A 112 9.215 -2.222 -2.471 1.00 0.00 C ATOM 1668 C ILE A 112 10.204 -3.304 -2.866 1.00 0.00 C ATOM 1669 O ILE A 112 9.822 -4.340 -3.414 1.00 0.00 O ATOM 1670 CB ILE A 112 9.150 -1.097 -3.539 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.696 -0.816 -3.920 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.974 -1.420 -4.781 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.066 0.297 -3.113 1.00 0.00 C ATOM 0 H ILE A 112 10.204 -0.915 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 112 8.213 -2.649 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 112 9.588 -0.204 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.649 -0.558 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.111 -1.726 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.893 -0.600 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.018 -1.555 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.600 -2.337 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.035 0.442 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.081 0.033 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.627 1.219 -3.265 1.00 0.00 H new ATOM 1685 N ASP A 113 11.473 -3.073 -2.543 1.00 0.00 N ATOM 1686 CA ASP A 113 12.521 -4.041 -2.814 1.00 0.00 C ATOM 1687 C ASP A 113 12.273 -5.330 -2.033 1.00 0.00 C ATOM 1688 O ASP A 113 12.524 -6.427 -2.535 1.00 0.00 O ATOM 1689 CB ASP A 113 13.897 -3.457 -2.475 1.00 0.00 C ATOM 1690 CG ASP A 113 15.028 -4.284 -3.051 1.00 0.00 C ATOM 1691 OD1 ASP A 113 15.433 -5.277 -2.416 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.509 -3.946 -4.155 1.00 0.00 O ATOM 0 H ASP A 113 11.798 -2.218 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 113 12.505 -4.277 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.962 -2.439 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.008 -3.397 -1.392 1.00 0.00 H new ATOM 1697 N VAL A 114 11.734 -5.201 -0.816 1.00 0.00 N ATOM 1698 CA VAL A 114 11.434 -6.369 -0.004 1.00 0.00 C ATOM 1699 C VAL A 114 10.126 -7.010 -0.466 1.00 0.00 C ATOM 1700 O VAL A 114 10.003 -8.232 -0.518 1.00 0.00 O ATOM 1701 CB VAL A 114 11.358 -6.063 1.506 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.733 -5.741 2.056 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.426 -4.922 1.787 1.00 0.00 C ATOM 0 H VAL A 114 11.501 -4.308 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 114 12.264 -7.061 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 114 10.972 -6.955 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.658 -5.528 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.395 -6.593 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 114 13.137 -4.870 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.396 -4.733 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.778 -4.029 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.426 -5.174 1.435 1.00 0.00 H new ATOM 1713 N ALA A 115 9.157 -6.180 -0.835 1.00 0.00 N ATOM 1714 CA ALA A 115 7.880 -6.676 -1.333 1.00 0.00 C ATOM 1715 C ALA A 115 8.065 -7.516 -2.594 1.00 0.00 C ATOM 1716 O ALA A 115 7.562 -8.649 -2.701 1.00 0.00 O ATOM 1717 CB ALA A 115 6.952 -5.513 -1.599 1.00 0.00 C ATOM 0 H ALA A 115 9.231 -5.163 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 115 7.439 -7.320 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.998 -5.886 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.789 -4.959 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.399 -4.854 -2.343 1.00 0.00 H new ATOM 1723 N MET A 116 8.816 -6.983 -3.550 1.00 0.00 N ATOM 1724 CA MET A 116 9.072 -7.731 -4.765 1.00 0.00 C ATOM 1725 C MET A 116 9.988 -8.921 -4.466 1.00 0.00 C ATOM 1726 O MET A 116 9.972 -9.916 -5.186 1.00 0.00 O ATOM 1727 CB MET A 116 9.584 -6.844 -5.926 1.00 0.00 C ATOM 1728 CG MET A 116 10.903 -6.100 -5.720 1.00 0.00 C ATOM 1729 SD MET A 116 11.440 -5.254 -7.221 1.00 0.00 S ATOM 1730 CE MET A 116 12.981 -4.533 -6.663 1.00 0.00 C ATOM 0 H MET A 116 9.247 -6.059 -3.508 1.00 0.00 H new ATOM 0 HA MET A 116 8.121 -8.125 -5.123 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.688 -7.474 -6.809 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.814 -6.106 -6.150 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.788 -5.374 -4.915 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.672 -6.805 -5.406 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.609 -4.305 -7.524 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.775 -3.616 -6.111 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.499 -5.239 -6.013 1.00 0.00 H new ATOM 1740 N CYS A 117 10.701 -8.848 -3.339 1.00 0.00 N ATOM 1741 CA CYS A 117 11.575 -9.927 -2.873 1.00 0.00 C ATOM 1742 C CYS A 117 10.720 -11.070 -2.358 1.00 0.00 C ATOM 1743 O CYS A 117 11.125 -12.232 -2.368 1.00 0.00 O ATOM 1744 CB CYS A 117 12.504 -9.392 -1.777 1.00 0.00 C ATOM 1745 SG CYS A 117 13.972 -10.419 -1.429 1.00 0.00 S ATOM 0 H CYS A 117 10.688 -8.036 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 117 12.192 -10.297 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.838 -8.394 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.929 -9.285 -0.857 1.00 0.00 H new ATOM 1750 N PHE A 118 9.509 -10.725 -1.960 1.00 0.00 N ATOM 1751 CA PHE A 118 8.566 -11.700 -1.458 1.00 0.00 C ATOM 1752 C PHE A 118 7.945 -12.473 -2.603 1.00 0.00 C ATOM 1753 O PHE A 118 7.766 -13.683 -2.499 1.00 0.00 O ATOM 1754 CB PHE A 118 7.486 -11.034 -0.596 1.00 0.00 C ATOM 1755 CG PHE A 118 6.350 -11.949 -0.230 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.543 -12.998 0.654 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.090 -11.762 -0.778 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.500 -13.842 0.985 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.045 -12.603 -0.450 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.250 -13.644 0.432 1.00 0.00 C ATOM 0 H PHE A 118 9.156 -9.768 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 118 9.108 -12.401 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.945 -10.657 0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.088 -10.172 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.519 -13.158 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.924 -10.949 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.662 -14.656 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.068 -12.446 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.434 -14.303 0.690 1.00 0.00 H new ATOM 1770 N LYS A 119 7.614 -11.798 -3.703 1.00 0.00 N ATOM 1771 CA LYS A 119 7.080 -12.536 -4.846 1.00 0.00 C ATOM 1772 C LYS A 119 8.161 -13.429 -5.454 1.00 0.00 C ATOM 1773 O LYS A 119 7.846 -14.476 -6.003 1.00 0.00 O ATOM 1774 CB LYS A 119 6.473 -11.630 -5.922 1.00 0.00 C ATOM 1775 CG LYS A 119 7.488 -11.100 -6.921 1.00 0.00 C ATOM 1776 CD LYS A 119 7.246 -9.653 -7.283 1.00 0.00 C ATOM 1777 CE LYS A 119 8.368 -9.139 -8.168 1.00 0.00 C ATOM 1778 NZ LYS A 119 8.360 -9.770 -9.513 1.00 0.00 N ATOM 0 H LYS A 119 7.700 -10.789 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 119 6.266 -13.152 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.704 -12.185 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.979 -10.787 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.490 -11.204 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.454 -11.708 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.291 -9.555 -7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.182 -9.050 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.277 -8.058 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.326 -9.331 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.066 -9.305 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.592 -10.780 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.417 -9.667 -9.939 1.00 0.00 H new ATOM 1792 N LYS A 120 9.436 -13.030 -5.354 1.00 0.00 N ATOM 1793 CA LYS A 120 10.523 -13.922 -5.771 1.00 0.00 C ATOM 1794 C LYS A 120 10.448 -15.224 -4.982 1.00 0.00 C ATOM 1795 O LYS A 120 10.373 -16.313 -5.562 1.00 0.00 O ATOM 1796 CB LYS A 120 11.907 -13.286 -5.573 1.00 0.00 C ATOM 1797 CG LYS A 120 12.521 -12.706 -6.845 1.00 0.00 C ATOM 1798 CD LYS A 120 12.058 -11.284 -7.104 1.00 0.00 C ATOM 1799 CE LYS A 120 12.610 -10.322 -6.062 1.00 0.00 C ATOM 1800 NZ LYS A 120 14.064 -10.063 -6.236 1.00 0.00 N ATOM 0 H LYS A 120 9.734 -12.122 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 120 10.396 -14.114 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.826 -12.494 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.584 -14.037 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.608 -12.724 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.255 -13.334 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.379 -10.970 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.969 -11.247 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.067 -9.379 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.434 -10.730 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.364 -9.315 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.598 -10.933 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.248 -9.760 -7.214 1.00 0.00 H new ATOM 1814 N GLU A 121 10.440 -15.096 -3.660 1.00 0.00 N ATOM 1815 CA GLU A 121 10.288 -16.254 -2.777 1.00 0.00 C ATOM 1816 C GLU A 121 8.977 -17.008 -3.044 1.00 0.00 C ATOM 1817 O GLU A 121 8.999 -18.222 -3.241 1.00 0.00 O ATOM 1818 CB GLU A 121 10.353 -15.841 -1.301 1.00 0.00 C ATOM 1819 CG GLU A 121 11.700 -15.275 -0.870 1.00 0.00 C ATOM 1820 CD GLU A 121 12.873 -16.110 -1.346 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.229 -17.098 -0.668 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.452 -15.775 -2.403 1.00 0.00 O ATOM 0 H GLU A 121 10.537 -14.205 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 121 11.120 -16.923 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.580 -15.096 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.121 -16.708 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.802 -14.261 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.728 -15.206 0.217 1.00 0.00 H new ATOM 1829 N ILE A 122 7.844 -16.298 -3.048 1.00 0.00 N ATOM 1830 CA ILE A 122 6.546 -16.906 -3.294 1.00 0.00 C ATOM 1831 C ILE A 122 6.522 -17.684 -4.622 1.00 0.00 C ATOM 1832 O ILE A 122 5.908 -18.747 -4.708 1.00 0.00 O ATOM 1833 CB ILE A 122 5.433 -15.830 -3.261 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.207 -16.339 -2.501 1.00 0.00 C ATOM 1835 CG2 ILE A 122 5.048 -15.386 -4.657 1.00 0.00 C ATOM 1836 CD1 ILE A 122 3.409 -17.406 -3.225 1.00 0.00 C ATOM 0 H ILE A 122 7.808 -15.292 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 122 6.359 -17.626 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 122 5.831 -14.963 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.532 -16.738 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.551 -15.494 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.265 -14.631 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.920 -14.965 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.682 -16.243 -5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.560 -17.705 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.048 -17.009 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 122 4.045 -18.272 -3.412 1.00 0.00 H new ATOM 1848 N HIS A 123 7.210 -17.178 -5.649 1.00 0.00 N ATOM 1849 CA HIS A 123 7.241 -17.872 -6.934 1.00 0.00 C ATOM 1850 C HIS A 123 8.071 -19.155 -6.853 1.00 0.00 C ATOM 1851 O HIS A 123 7.775 -20.136 -7.536 1.00 0.00 O ATOM 1852 CB HIS A 123 7.795 -16.969 -8.041 1.00 0.00 C ATOM 1853 CG HIS A 123 6.902 -15.818 -8.397 1.00 0.00 C ATOM 1854 ND1 HIS A 123 7.261 -14.845 -9.302 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.670 -15.472 -7.949 1.00 0.00 C ATOM 1856 CE1 HIS A 123 6.291 -13.954 -9.397 1.00 0.00 C ATOM 1857 NE2 HIS A 123 5.316 -14.314 -8.588 1.00 0.00 N ATOM 0 H HIS A 123 7.742 -16.308 -5.616 1.00 0.00 H new ATOM 0 HA HIS A 123 6.212 -18.135 -7.179 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.763 -16.580 -7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 123 7.967 -17.571 -8.933 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.078 -16.010 -7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 123 6.296 -13.079 -10.030 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.438 -13.811 -8.458 1.00 0.00 H new ATOM 1866 N LYS A 124 9.104 -19.144 -6.011 1.00 0.00 N ATOM 1867 CA LYS A 124 9.920 -20.319 -5.768 1.00 0.00 C ATOM 1868 C LYS A 124 9.138 -21.352 -4.962 1.00 0.00 C ATOM 1869 O LYS A 124 9.307 -22.559 -5.137 1.00 0.00 O ATOM 1870 CB LYS A 124 11.162 -19.871 -5.010 1.00 0.00 C ATOM 1871 CG LYS A 124 12.206 -20.944 -4.778 1.00 0.00 C ATOM 1872 CD LYS A 124 13.459 -20.312 -4.214 1.00 0.00 C ATOM 1873 CE LYS A 124 13.232 -19.784 -2.806 1.00 0.00 C ATOM 1874 NZ LYS A 124 14.288 -18.821 -2.404 1.00 0.00 N ATOM 0 H LYS A 124 9.393 -18.320 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 124 10.204 -20.788 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.625 -19.051 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.853 -19.474 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.823 -21.697 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.433 -21.455 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.265 -21.046 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.780 -19.496 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.257 -19.299 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.213 -20.617 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.030 -18.381 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.193 -19.322 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.382 -18.084 -3.132 1.00 0.00 H new ATOM 1888 N LEU A 125 8.284 -20.861 -4.075 1.00 0.00 N ATOM 1889 CA LEU A 125 7.370 -21.720 -3.325 1.00 0.00 C ATOM 1890 C LEU A 125 6.332 -22.378 -4.245 1.00 0.00 C ATOM 1891 O LEU A 125 5.916 -23.511 -3.996 1.00 0.00 O ATOM 1892 CB LEU A 125 6.657 -20.912 -2.236 1.00 0.00 C ATOM 1893 CG LEU A 125 7.575 -20.259 -1.199 1.00 0.00 C ATOM 1894 CD1 LEU A 125 6.758 -19.456 -0.199 1.00 0.00 C ATOM 1895 CD2 LEU A 125 8.412 -21.310 -0.481 1.00 0.00 C ATOM 0 H LEU A 125 8.203 -19.868 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 125 7.963 -22.509 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.064 -20.132 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.959 -21.569 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 125 8.252 -19.581 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.425 -18.998 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.205 -18.677 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.058 -20.116 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.057 -20.824 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 125 7.754 -22.015 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.025 -21.844 -1.206 1.00 0.00 H new ATOM 1907 N ASN A 126 5.925 -21.651 -5.295 1.00 0.00 N ATOM 1908 CA ASN A 126 4.972 -22.138 -6.299 1.00 0.00 C ATOM 1909 C ASN A 126 3.543 -22.131 -5.776 1.00 0.00 C ATOM 1910 O ASN A 126 3.232 -22.764 -4.765 1.00 0.00 O ATOM 1911 CB ASN A 126 5.328 -23.538 -6.820 1.00 0.00 C ATOM 1912 CG ASN A 126 6.515 -23.537 -7.762 1.00 0.00 C ATOM 1913 OD1 ASN A 126 6.367 -23.295 -8.960 1.00 0.00 O ATOM 1914 ND2 ASN A 126 7.695 -23.837 -7.241 1.00 0.00 N ATOM 0 H ASN A 126 6.251 -20.701 -5.472 1.00 0.00 H new ATOM 0 HA ASN A 126 5.042 -21.441 -7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.544 -24.190 -5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 126 4.464 -23.959 -7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.521 -23.874 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.777 -24.031 -6.243 1.00 0.00 H new ATOM 1921 N TRP A 127 2.679 -21.426 -6.509 1.00 0.00 N ATOM 1922 CA TRP A 127 1.249 -21.335 -6.204 1.00 0.00 C ATOM 1923 C TRP A 127 0.969 -20.965 -4.743 1.00 0.00 C ATOM 1924 O TRP A 127 1.809 -20.368 -4.064 1.00 0.00 O ATOM 1925 CB TRP A 127 0.566 -22.650 -6.592 1.00 0.00 C ATOM 1926 CG TRP A 127 0.765 -22.969 -8.043 1.00 0.00 C ATOM 1927 CD1 TRP A 127 1.953 -23.244 -8.651 1.00 0.00 C ATOM 1928 CD2 TRP A 127 -0.233 -23.032 -9.068 1.00 0.00 C ATOM 1929 NE1 TRP A 127 1.767 -23.447 -9.985 1.00 0.00 N ATOM 1930 CE2 TRP A 127 0.432 -23.338 -10.272 1.00 0.00 C ATOM 1931 CE3 TRP A 127 -1.619 -22.861 -9.088 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 -0.243 -23.472 -11.482 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 -2.288 -22.998 -10.291 1.00 0.00 C ATOM 1934 CH2 TRP A 127 -1.601 -23.302 -11.472 1.00 0.00 C ATOM 0 H TRP A 127 2.954 -20.898 -7.337 1.00 0.00 H new ATOM 0 HA TRP A 127 0.832 -20.519 -6.794 1.00 0.00 H new ATOM 0 HB2 TRP A 127 0.965 -23.461 -5.983 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -0.500 -22.584 -6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 127 2.907 -23.294 -8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.503 -23.648 -10.662 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -2.158 -22.626 -8.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 0.286 -23.702 -12.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -3.360 -22.868 -10.319 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -2.154 -23.405 -12.394 1.00 0.00 H new ATOM 1945 N VAL A 128 -0.227 -21.291 -4.273 1.00 0.00 N ATOM 1946 CA VAL A 128 -0.652 -20.903 -2.936 1.00 0.00 C ATOM 1947 C VAL A 128 -1.242 -22.095 -2.178 1.00 0.00 C ATOM 1948 O VAL A 128 -2.115 -22.799 -2.690 1.00 0.00 O ATOM 1949 CB VAL A 128 -1.674 -19.736 -2.998 1.00 0.00 C ATOM 1950 CG1 VAL A 128 -2.883 -20.101 -3.849 1.00 0.00 C ATOM 1951 CG2 VAL A 128 -2.107 -19.312 -1.601 1.00 0.00 C ATOM 0 H VAL A 128 -0.920 -21.824 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 128 0.229 -20.559 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.176 -18.890 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -3.579 -19.262 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.558 -20.330 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.379 -20.972 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.823 -18.493 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.573 -20.156 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.236 -18.983 -1.034 1.00 0.00 H new ATOM 1961 N PRO A 129 -0.762 -22.342 -0.945 1.00 0.00 N ATOM 1962 CA PRO A 129 -1.217 -23.459 -0.105 1.00 0.00 C ATOM 1963 C PRO A 129 -2.580 -23.203 0.542 1.00 0.00 C ATOM 1964 O PRO A 129 -2.971 -23.889 1.487 1.00 0.00 O ATOM 1965 CB PRO A 129 -0.136 -23.568 0.983 1.00 0.00 C ATOM 1966 CG PRO A 129 0.937 -22.597 0.603 1.00 0.00 C ATOM 1967 CD PRO A 129 0.285 -21.567 -0.270 1.00 0.00 C ATOM 0 HA PRO A 129 -1.346 -24.365 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -0.546 -23.331 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 129 0.259 -24.582 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 129 1.374 -22.135 1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 129 1.746 -23.100 0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -0.130 -20.745 0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 129 0.989 -21.131 -0.979 1.00 0.00 H new ATOM 1975 N ASN A 130 -3.298 -22.215 0.032 1.00 0.00 N ATOM 1976 CA ASN A 130 -4.619 -21.878 0.547 1.00 0.00 C ATOM 1977 C ASN A 130 -5.677 -22.114 -0.522 1.00 0.00 C ATOM 1978 O ASN A 130 -5.558 -21.618 -1.643 1.00 0.00 O ATOM 1979 CB ASN A 130 -4.649 -20.418 1.019 1.00 0.00 C ATOM 1980 CG ASN A 130 -6.045 -19.933 1.382 1.00 0.00 C ATOM 1981 OD1 ASN A 130 -6.741 -19.340 0.561 1.00 0.00 O ATOM 1982 ND2 ASN A 130 -6.469 -20.188 2.610 1.00 0.00 N ATOM 0 H ASN A 130 -2.987 -21.628 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 130 -4.838 -22.522 1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.997 -20.310 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -4.243 -19.781 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -7.400 -19.890 2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -5.864 -20.683 3.266 1.00 0.00 H new ATOM 1989 N MET A 131 -6.690 -22.898 -0.183 1.00 0.00 N ATOM 1990 CA MET A 131 -7.780 -23.170 -1.106 1.00 0.00 C ATOM 1991 C MET A 131 -8.966 -22.270 -0.802 1.00 0.00 C ATOM 1992 O MET A 131 -9.693 -22.492 0.167 1.00 0.00 O ATOM 1993 CB MET A 131 -8.224 -24.633 -1.029 1.00 0.00 C ATOM 1994 CG MET A 131 -7.121 -25.636 -1.313 1.00 0.00 C ATOM 1995 SD MET A 131 -7.752 -27.319 -1.474 1.00 0.00 S ATOM 1996 CE MET A 131 -8.682 -27.486 0.050 1.00 0.00 C ATOM 0 H MET A 131 -6.779 -23.356 0.724 1.00 0.00 H new ATOM 0 HA MET A 131 -7.415 -22.969 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 131 -8.628 -24.826 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 131 -9.035 -24.792 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 131 -6.604 -25.355 -2.231 1.00 0.00 H new ATOM 0 HG3 MET A 131 -6.385 -25.601 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 131 -8.922 -28.536 0.217 1.00 0.00 H new ATOM 0 HE2 MET A 131 -8.086 -27.113 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 131 -9.605 -26.910 -0.022 1.00 0.00 H new ATOM 2006 N ASP A 132 -9.134 -21.239 -1.606 1.00 0.00 N ATOM 2007 CA ASP A 132 -10.280 -20.359 -1.485 1.00 0.00 C ATOM 2008 C ASP A 132 -11.304 -20.673 -2.569 1.00 0.00 C ATOM 2009 O ASP A 132 -11.102 -20.367 -3.742 1.00 0.00 O ATOM 2010 CB ASP A 132 -9.852 -18.880 -1.534 1.00 0.00 C ATOM 2011 CG ASP A 132 -9.058 -18.498 -2.778 1.00 0.00 C ATOM 2012 OD1 ASP A 132 -8.102 -19.223 -3.139 1.00 0.00 O ATOM 2013 OD2 ASP A 132 -9.351 -17.438 -3.373 1.00 0.00 O ATOM 0 H ASP A 132 -8.488 -20.989 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 132 -10.745 -20.532 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -10.743 -18.254 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -9.252 -18.658 -0.652 1.00 0.00 H new ATOM 2018 N LEU A 133 -12.392 -21.324 -2.168 1.00 0.00 N ATOM 2019 CA LEU A 133 -13.455 -21.695 -3.101 1.00 0.00 C ATOM 2020 C LEU A 133 -14.128 -20.448 -3.663 1.00 0.00 C ATOM 2021 O LEU A 133 -14.616 -20.441 -4.796 1.00 0.00 O ATOM 2022 CB LEU A 133 -14.489 -22.586 -2.406 1.00 0.00 C ATOM 2023 CG LEU A 133 -15.590 -23.144 -3.312 1.00 0.00 C ATOM 2024 CD1 LEU A 133 -14.997 -24.053 -4.376 1.00 0.00 C ATOM 2025 CD2 LEU A 133 -16.626 -23.890 -2.487 1.00 0.00 C ATOM 0 H LEU A 133 -12.562 -21.606 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 133 -13.011 -22.253 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -13.968 -23.422 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -14.957 -22.014 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.082 -22.310 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -15.795 -24.440 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -14.291 -23.488 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -14.479 -24.884 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -17.402 -24.281 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -16.147 -24.716 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -17.073 -23.209 -1.763 1.00 0.00 H new ATOM 2037 N VAL A 134 -14.137 -19.401 -2.858 1.00 0.00 N ATOM 2038 CA VAL A 134 -14.668 -18.110 -3.264 1.00 0.00 C ATOM 2039 C VAL A 134 -13.811 -17.506 -4.380 1.00 0.00 C ATOM 2040 O VAL A 134 -12.631 -17.225 -4.186 1.00 0.00 O ATOM 2041 CB VAL A 134 -14.739 -17.144 -2.052 1.00 0.00 C ATOM 2042 CG1 VAL A 134 -15.959 -17.452 -1.205 1.00 0.00 C ATOM 2043 CG2 VAL A 134 -13.478 -17.253 -1.203 1.00 0.00 C ATOM 0 H VAL A 134 -13.777 -19.421 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 134 -15.678 -18.258 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 134 -14.817 -16.125 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -15.996 -16.767 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -16.860 -17.334 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -15.899 -18.477 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -13.548 -16.568 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -13.375 -18.274 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -12.609 -16.996 -1.808 1.00 0.00 H new ATOM 2053 N ILE A 135 -14.407 -17.309 -5.551 1.00 0.00 N ATOM 2054 CA ILE A 135 -13.662 -16.766 -6.682 1.00 0.00 C ATOM 2055 C ILE A 135 -14.249 -15.430 -7.105 1.00 0.00 C ATOM 2056 O ILE A 135 -15.411 -15.348 -7.514 1.00 0.00 O ATOM 2057 CB ILE A 135 -13.534 -17.710 -7.930 1.00 0.00 C ATOM 2058 CG1 ILE A 135 -14.472 -18.938 -7.916 1.00 0.00 C ATOM 2059 CG2 ILE A 135 -12.096 -18.177 -8.068 1.00 0.00 C ATOM 2060 CD1 ILE A 135 -15.949 -18.611 -8.026 1.00 0.00 C ATOM 0 H ILE A 135 -15.388 -17.513 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.644 -16.649 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 135 -13.844 -17.109 -8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -14.198 -19.597 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -14.305 -19.495 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -12.008 -18.832 -8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -11.444 -17.313 -8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -11.802 -18.721 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -16.528 -19.534 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -16.245 -17.980 -7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -16.136 -18.084 -8.961 1.00 0.00 H new ATOM 2072 N GLY A 136 -13.442 -14.382 -6.961 1.00 0.00 N ATOM 2073 CA GLY A 136 -13.872 -13.044 -7.310 1.00 0.00 C ATOM 2074 C GLY A 136 -14.358 -12.942 -8.738 1.00 0.00 C ATOM 2075 O GLY A 136 -13.715 -13.445 -9.661 1.00 0.00 O ATOM 0 H GLY A 136 -12.488 -14.440 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -14.671 -12.736 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -13.044 -12.350 -7.162 1.00 0.00 H new ATOM 2079 N GLU A 137 -15.497 -12.293 -8.911 1.00 0.00 N ATOM 2080 CA GLU A 137 -16.107 -12.131 -10.219 1.00 0.00 C ATOM 2081 C GLU A 137 -15.226 -11.251 -11.101 1.00 0.00 C ATOM 2082 O GLU A 137 -14.653 -10.266 -10.634 1.00 0.00 O ATOM 2083 CB GLU A 137 -17.493 -11.518 -10.050 1.00 0.00 C ATOM 2084 CG GLU A 137 -18.373 -11.611 -11.282 1.00 0.00 C ATOM 2085 CD GLU A 137 -19.767 -11.100 -11.010 1.00 0.00 C ATOM 2086 OE1 GLU A 137 -20.560 -11.836 -10.382 1.00 0.00 O ATOM 2087 OE2 GLU A 137 -20.070 -9.952 -11.396 1.00 0.00 O ATOM 0 H GLU A 137 -16.024 -11.864 -8.150 1.00 0.00 H new ATOM 0 HA GLU A 137 -16.206 -13.102 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -17.997 -12.013 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -17.382 -10.469 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -17.926 -11.036 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -18.424 -12.647 -11.616 1.00 0.00 H new ATOM 2094 N VAL A 138 -15.109 -11.614 -12.370 1.00 0.00 N ATOM 2095 CA VAL A 138 -14.230 -10.901 -13.281 1.00 0.00 C ATOM 2096 C VAL A 138 -14.904 -10.696 -14.638 1.00 0.00 C ATOM 2097 O VAL A 138 -15.624 -11.571 -15.126 1.00 0.00 O ATOM 2098 CB VAL A 138 -12.884 -11.651 -13.457 1.00 0.00 C ATOM 2099 CG1 VAL A 138 -13.105 -13.050 -14.015 1.00 0.00 C ATOM 2100 CG2 VAL A 138 -11.928 -10.867 -14.343 1.00 0.00 C ATOM 0 H VAL A 138 -15.611 -12.396 -12.790 1.00 0.00 H new ATOM 0 HA VAL A 138 -14.023 -9.923 -12.846 1.00 0.00 H new ATOM 0 HB VAL A 138 -12.430 -11.745 -12.471 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -12.144 -13.553 -14.128 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -13.734 -13.619 -13.331 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -13.595 -12.981 -14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -10.994 -11.418 -14.447 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -12.377 -10.724 -15.326 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -11.727 -9.895 -13.891 1.00 0.00 H new ATOM 2110 N LEU A 139 -14.682 -9.527 -15.225 1.00 0.00 N ATOM 2111 CA LEU A 139 -15.217 -9.203 -16.538 1.00 0.00 C ATOM 2112 C LEU A 139 -14.057 -8.947 -17.497 1.00 0.00 C ATOM 2113 O LEU A 139 -13.152 -8.172 -17.186 1.00 0.00 O ATOM 2114 CB LEU A 139 -16.109 -7.959 -16.449 1.00 0.00 C ATOM 2115 CG LEU A 139 -17.404 -8.000 -17.269 1.00 0.00 C ATOM 2116 CD1 LEU A 139 -18.147 -6.684 -17.136 1.00 0.00 C ATOM 2117 CD2 LEU A 139 -17.126 -8.302 -18.733 1.00 0.00 C ATOM 0 H LEU A 139 -14.128 -8.780 -14.805 1.00 0.00 H new ATOM 0 HA LEU A 139 -15.818 -10.035 -16.904 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -16.370 -7.797 -15.403 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -15.527 -7.095 -16.770 1.00 0.00 H new ATOM 0 HG LEU A 139 -18.026 -8.804 -16.875 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -19.065 -6.724 -17.722 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -18.393 -6.509 -16.089 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -17.518 -5.872 -17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -18.066 -8.324 -19.285 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -16.479 -7.529 -19.148 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -16.633 -9.271 -18.818 1.00 0.00 H new ATOM 2129 N ALA A 140 -14.076 -9.605 -18.649 1.00 0.00 N ATOM 2130 CA ALA A 140 -12.997 -9.468 -19.621 1.00 0.00 C ATOM 2131 C ALA A 140 -13.181 -8.235 -20.505 1.00 0.00 C ATOM 2132 O ALA A 140 -12.251 -7.811 -21.191 1.00 0.00 O ATOM 2133 CB ALA A 140 -12.897 -10.722 -20.474 1.00 0.00 C ATOM 0 H ALA A 140 -14.824 -10.237 -18.933 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.067 -9.337 -19.067 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -12.088 -10.608 -21.196 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -12.694 -11.581 -19.835 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.837 -10.877 -21.004 1.00 0.00 H new ATOM 2139 N GLU A 141 -14.377 -7.665 -20.483 1.00 0.00 N ATOM 2140 CA GLU A 141 -14.677 -6.488 -21.289 1.00 0.00 C ATOM 2141 C GLU A 141 -14.733 -5.236 -20.425 1.00 0.00 C ATOM 2142 O GLU A 141 -15.090 -5.296 -19.247 1.00 0.00 O ATOM 2143 CB GLU A 141 -16.002 -6.660 -22.029 1.00 0.00 C ATOM 2144 CG GLU A 141 -15.971 -7.734 -23.102 1.00 0.00 C ATOM 2145 CD GLU A 141 -17.300 -7.875 -23.806 1.00 0.00 C ATOM 2146 OE1 GLU A 141 -17.627 -7.013 -24.649 1.00 0.00 O ATOM 2147 OE2 GLU A 141 -18.033 -8.843 -23.514 1.00 0.00 O ATOM 0 H GLU A 141 -15.157 -7.998 -19.916 1.00 0.00 H new ATOM 0 HA GLU A 141 -13.875 -6.376 -22.019 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -16.781 -6.904 -21.307 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -16.277 -5.710 -22.487 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -15.198 -7.493 -23.832 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -15.697 -8.688 -22.651 1.00 0.00 H new ATOM 2154 N VAL A 142 -14.380 -4.108 -21.025 1.00 0.00 N ATOM 2155 CA VAL A 142 -14.396 -2.824 -20.342 1.00 0.00 C ATOM 2156 C VAL A 142 -15.083 -1.772 -21.209 1.00 0.00 C ATOM 2157 O VAL A 142 -15.993 -1.082 -20.704 1.00 0.00 O ATOM 2158 CB VAL A 142 -12.971 -2.346 -19.965 1.00 0.00 C ATOM 2159 CG1 VAL A 142 -12.417 -3.173 -18.814 1.00 0.00 C ATOM 2160 CG2 VAL A 142 -12.031 -2.420 -21.161 1.00 0.00 C ATOM 2161 OXT VAL A 142 -14.741 -1.674 -22.406 1.00 0.00 O ATOM 0 H VAL A 142 -14.075 -4.058 -21.997 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.956 -2.958 -19.416 1.00 0.00 H new ATOM 0 HB VAL A 142 -13.042 -1.305 -19.650 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.416 -2.823 -18.563 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -13.066 -3.068 -17.945 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -12.372 -4.222 -19.108 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.039 -2.078 -20.866 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.970 -3.450 -21.513 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -12.410 -1.785 -21.962 1.00 0.00 H new TER 2171 VAL A 142