USER MOD reduce.3.24.130724 H: found=0, std=0, add=1175, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1175 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 116 ASN : amide:sc= 0.384 K(o=1.4,f=-1.3) USER MOD Set 1.2: A 125 LYS NZ :NH3+ -178:sc= 0.983 (180deg=0) USER MOD Set 2.1: A 102 HIS : no HE2:sc= -3.11! K(o=-3.1!,f=-4.2) USER MOD Set 2.2: A 126 MET CE :methyl 149:sc= -0.0353 (180deg=-0.0208) USER MOD Set 3.1: A 75 SER OG : rot 180:sc= 0.746 USER MOD Set 3.2: A 86 THR OG1 : rot -106:sc= 1.18 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.181 (180deg=-0.673) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0376 (180deg=-0.113) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 4 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.4!) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 7 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.927) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.98! C(o=-3!,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.18) USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 30 SER OG : rot 57:sc= -3.21! USER MOD Single : A 31 THR OG1 : rot 65:sc= -0.424 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0571 (180deg=-0.326) USER MOD Single : A 40 MET CE :methyl 155:sc= 0 (180deg=-0.717) USER MOD Single : A 42 ASN :FLIP amide:sc= -5.2! C(o=-6.1!,f=-5.2!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0527) USER MOD Single : A 50 GLN : amide:sc= -11.7! C(o=-12!,f=-20!) USER MOD Single : A 53 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.5!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 53:sc=0.000505 USER MOD Single : A 63 CYS SG : rot 19:sc= -11.5! USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.883) USER MOD Single : A 69 GLN : amide:sc= -0.365 K(o=-0.37,f=-0.89) USER MOD Single : A 72 THR OG1 : rot -73:sc= 0.224 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0215 X(o=-0.021,f=-0.45) USER MOD Single : A 95 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.14) USER MOD Single : A 96 THR OG1 : rot -140:sc= -1.44 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -171:sc= -2.77! USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.09) USER MOD Single : A 109 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.0066) USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -152:sc= 1.18 (180deg=0.615) USER MOD Single : A 119 SER OG : rot 167:sc= 1.24 USER MOD Single : A 120 SER OG : rot -70:sc= 0.0856 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 135 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5.4!) USER MOD Single : A 140 LYS NZ :NH3+ -149:sc= -0.734 (180deg=-1.55!) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 148 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.0091) USER MOD Single : A 149 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.047) USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.043) USER MOD Single : A 152 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.726 -16.995 -10.377 1.00 0.00 N ATOM 2 CA MET A 1 5.853 -17.946 -10.249 1.00 0.00 C ATOM 3 C MET A 1 7.160 -17.230 -10.539 1.00 0.00 C ATOM 4 O MET A 1 7.165 -16.164 -11.156 1.00 0.00 O ATOM 5 CB MET A 1 5.689 -19.122 -11.219 1.00 0.00 C ATOM 6 CG MET A 1 4.411 -19.919 -11.018 1.00 0.00 C ATOM 7 SD MET A 1 4.296 -21.350 -12.113 1.00 0.00 S ATOM 8 CE MET A 1 4.396 -20.559 -13.718 1.00 0.00 C ATOM 0 H1 MET A 1 4.104 -17.081 -9.548 1.00 0.00 H new ATOM 0 H2 MET A 1 5.095 -16.024 -10.434 1.00 0.00 H new ATOM 0 H3 MET A 1 4.186 -17.211 -11.239 1.00 0.00 H new ATOM 0 HA MET A 1 5.861 -18.334 -9.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.711 -18.742 -12.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.543 -19.791 -11.110 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.357 -20.255 -9.982 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.553 -19.269 -11.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.010 -21.235 -14.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.804 -19.644 -13.710 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.435 -20.317 -13.940 1.00 0.00 H new ATOM 20 N ALA A 2 8.261 -17.810 -10.098 1.00 0.00 N ATOM 21 CA ALA A 2 9.561 -17.197 -10.288 1.00 0.00 C ATOM 22 C ALA A 2 10.467 -18.053 -11.159 1.00 0.00 C ATOM 23 O ALA A 2 11.333 -18.768 -10.654 1.00 0.00 O ATOM 24 CB ALA A 2 10.218 -16.933 -8.945 1.00 0.00 C ATOM 0 H ALA A 2 8.280 -18.704 -9.607 1.00 0.00 H new ATOM 0 HA ALA A 2 9.407 -16.250 -10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.194 -16.473 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.590 -16.262 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.343 -17.874 -8.410 1.00 0.00 H new ATOM 30 N GLN A 3 10.258 -17.995 -12.467 1.00 0.00 N ATOM 31 CA GLN A 3 11.194 -18.611 -13.396 1.00 0.00 C ATOM 32 C GLN A 3 12.485 -17.805 -13.384 1.00 0.00 C ATOM 33 O GLN A 3 13.587 -18.352 -13.402 1.00 0.00 O ATOM 34 CB GLN A 3 10.606 -18.688 -14.811 1.00 0.00 C ATOM 35 CG GLN A 3 10.177 -17.350 -15.391 1.00 0.00 C ATOM 36 CD GLN A 3 9.604 -17.483 -16.790 1.00 0.00 C ATOM 37 OE1 GLN A 3 9.973 -18.384 -17.542 1.00 0.00 O ATOM 38 NE2 GLN A 3 8.704 -16.582 -17.156 1.00 0.00 N ATOM 0 H GLN A 3 9.460 -17.534 -12.904 1.00 0.00 H new ATOM 0 HA GLN A 3 11.396 -19.635 -13.083 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.346 -19.136 -15.474 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.745 -19.356 -14.797 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.432 -16.896 -14.738 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.033 -16.676 -15.415 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.422 -15.849 -16.505 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.293 -16.622 -18.089 1.00 0.00 H new ATOM 47 N ASN A 4 12.319 -16.495 -13.333 1.00 0.00 N ATOM 48 CA ASN A 4 13.416 -15.566 -13.144 1.00 0.00 C ATOM 49 C ASN A 4 12.884 -14.298 -12.489 1.00 0.00 C ATOM 50 O ASN A 4 11.695 -13.986 -12.594 1.00 0.00 O ATOM 51 CB ASN A 4 14.129 -15.254 -14.476 1.00 0.00 C ATOM 52 CG ASN A 4 13.215 -14.711 -15.569 1.00 0.00 C ATOM 53 OD1 ASN A 4 12.240 -14.009 -15.311 1.00 0.00 O ATOM 54 ND2 ASN A 4 13.532 -15.035 -16.812 1.00 0.00 N ATOM 0 H ASN A 4 11.409 -16.043 -13.423 1.00 0.00 H new ATOM 0 HA ASN A 4 14.161 -16.022 -12.492 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.921 -14.529 -14.289 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.608 -16.163 -14.839 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.961 -14.700 -17.588 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.348 -15.620 -16.994 1.00 0.00 H new ATOM 61 N ASN A 5 13.737 -13.600 -11.767 1.00 0.00 N ATOM 62 CA ASN A 5 13.347 -12.342 -11.152 1.00 0.00 C ATOM 63 C ASN A 5 14.060 -11.196 -11.846 1.00 0.00 C ATOM 64 O ASN A 5 15.188 -11.360 -12.309 1.00 0.00 O ATOM 65 CB ASN A 5 13.650 -12.333 -9.646 1.00 0.00 C ATOM 66 CG ASN A 5 15.137 -12.354 -9.328 1.00 0.00 C ATOM 67 OD1 ASN A 5 15.773 -11.309 -9.226 1.00 0.00 O ATOM 68 ND2 ASN A 5 15.691 -13.543 -9.141 1.00 0.00 N ATOM 0 H ASN A 5 14.702 -13.879 -11.591 1.00 0.00 H new ATOM 0 HA ASN A 5 12.270 -12.222 -11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.203 -11.445 -9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.175 -13.197 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 5 16.680 -13.613 -8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 5 15.128 -14.388 -9.235 1.00 0.00 H new ATOM 75 N GLU A 6 13.394 -10.056 -11.960 1.00 0.00 N ATOM 76 CA GLU A 6 13.995 -8.896 -12.576 1.00 0.00 C ATOM 77 C GLU A 6 15.150 -8.397 -11.730 1.00 0.00 C ATOM 78 O GLU A 6 16.283 -8.272 -12.204 1.00 0.00 O ATOM 79 CB GLU A 6 12.963 -7.780 -12.725 1.00 0.00 C ATOM 80 CG GLU A 6 13.596 -6.450 -13.065 1.00 0.00 C ATOM 81 CD GLU A 6 12.626 -5.294 -13.017 1.00 0.00 C ATOM 82 OE1 GLU A 6 11.705 -5.245 -13.855 1.00 0.00 O ATOM 83 OE2 GLU A 6 12.805 -4.413 -12.153 1.00 0.00 O ATOM 0 H GLU A 6 12.438 -9.916 -11.632 1.00 0.00 H new ATOM 0 HA GLU A 6 14.362 -9.181 -13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.250 -8.050 -13.504 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.399 -7.684 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.414 -6.257 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.032 -6.508 -14.062 1.00 0.00 H new ATOM 90 N ASN A 7 14.843 -8.130 -10.474 1.00 0.00 N ATOM 91 CA ASN A 7 15.780 -7.525 -9.557 1.00 0.00 C ATOM 92 C ASN A 7 15.169 -7.455 -8.177 1.00 0.00 C ATOM 93 O ASN A 7 15.422 -8.293 -7.319 1.00 0.00 O ATOM 94 CB ASN A 7 16.088 -6.109 -9.992 1.00 0.00 C ATOM 95 CG ASN A 7 17.543 -5.898 -10.355 1.00 0.00 C ATOM 96 OD1 ASN A 7 18.424 -6.594 -9.864 1.00 0.00 O ATOM 97 ND2 ASN A 7 17.800 -4.932 -11.223 1.00 0.00 N ATOM 0 H ASN A 7 13.931 -8.329 -10.063 1.00 0.00 H new ATOM 0 HA ASN A 7 16.689 -8.127 -9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 7 15.466 -5.856 -10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 7 15.817 -5.423 -9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 7 18.761 -4.744 -11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 7 17.037 -4.376 -11.608 1.00 0.00 H new ATOM 104 N ALA A 8 14.338 -6.438 -7.995 1.00 0.00 N ATOM 105 CA ALA A 8 13.586 -6.250 -6.781 1.00 0.00 C ATOM 106 C ALA A 8 12.128 -6.494 -7.120 1.00 0.00 C ATOM 107 O ALA A 8 11.843 -7.252 -8.046 1.00 0.00 O ATOM 108 CB ALA A 8 13.799 -4.849 -6.222 1.00 0.00 C ATOM 0 H ALA A 8 14.172 -5.718 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 8 13.917 -6.944 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.221 -4.731 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.857 -4.701 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.472 -4.111 -6.955 1.00 0.00 H new ATOM 114 N LEU A 9 11.211 -5.893 -6.394 1.00 0.00 N ATOM 115 CA LEU A 9 9.833 -5.931 -6.788 1.00 0.00 C ATOM 116 C LEU A 9 9.647 -4.962 -7.945 1.00 0.00 C ATOM 117 O LEU A 9 9.822 -3.751 -7.783 1.00 0.00 O ATOM 118 CB LEU A 9 8.946 -5.550 -5.605 1.00 0.00 C ATOM 119 CG LEU A 9 7.555 -6.158 -5.595 1.00 0.00 C ATOM 120 CD1 LEU A 9 6.811 -5.770 -4.327 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.766 -5.739 -6.817 1.00 0.00 C ATOM 0 H LEU A 9 11.399 -5.377 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 9 9.550 -6.935 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.455 -5.841 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.847 -4.465 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 9 7.665 -7.242 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.816 -6.215 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.360 -6.131 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.722 -4.685 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.774 -6.190 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.671 -4.653 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.284 -6.072 -7.716 1.00 0.00 H new ATOM 133 N PRO A 10 9.337 -5.487 -9.137 1.00 0.00 N ATOM 134 CA PRO A 10 9.058 -4.668 -10.307 1.00 0.00 C ATOM 135 C PRO A 10 7.716 -3.982 -10.155 1.00 0.00 C ATOM 136 O PRO A 10 7.306 -3.623 -9.051 1.00 0.00 O ATOM 137 CB PRO A 10 9.023 -5.680 -11.470 1.00 0.00 C ATOM 138 CG PRO A 10 9.532 -6.964 -10.903 1.00 0.00 C ATOM 139 CD PRO A 10 9.220 -6.917 -9.439 1.00 0.00 C ATOM 0 HA PRO A 10 9.795 -3.880 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.011 -5.797 -11.857 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.645 -5.345 -12.300 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.051 -7.819 -11.378 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.604 -7.068 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.221 -7.297 -9.224 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.921 -7.514 -8.855 1.00 0.00 H new ATOM 147 N ASP A 11 7.032 -3.782 -11.243 1.00 0.00 N ATOM 148 CA ASP A 11 5.661 -3.343 -11.145 1.00 0.00 C ATOM 149 C ASP A 11 4.790 -4.514 -10.714 1.00 0.00 C ATOM 150 O ASP A 11 4.716 -5.542 -11.387 1.00 0.00 O ATOM 151 CB ASP A 11 5.141 -2.724 -12.457 1.00 0.00 C ATOM 152 CG ASP A 11 4.663 -3.740 -13.485 1.00 0.00 C ATOM 153 OD1 ASP A 11 5.505 -4.271 -14.238 1.00 0.00 O ATOM 154 OD2 ASP A 11 3.435 -3.997 -13.552 1.00 0.00 O ATOM 0 H ASP A 11 7.386 -3.911 -12.191 1.00 0.00 H new ATOM 0 HA ASP A 11 5.613 -2.552 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.319 -2.047 -12.224 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.934 -2.122 -12.900 1.00 0.00 H new ATOM 159 N ILE A 12 4.212 -4.401 -9.537 1.00 0.00 N ATOM 160 CA ILE A 12 3.091 -5.233 -9.193 1.00 0.00 C ATOM 161 C ILE A 12 1.876 -4.353 -9.245 1.00 0.00 C ATOM 162 O ILE A 12 1.802 -3.340 -8.554 1.00 0.00 O ATOM 163 CB ILE A 12 3.244 -5.885 -7.785 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.987 -7.218 -7.903 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.899 -6.087 -7.077 1.00 0.00 C ATOM 166 CD1 ILE A 12 3.257 -8.257 -8.730 1.00 0.00 C ATOM 0 H ILE A 12 4.501 -3.745 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 12 3.015 -6.065 -9.894 1.00 0.00 H new ATOM 0 HB ILE A 12 3.823 -5.194 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.967 -7.039 -8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.157 -7.618 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.066 -6.544 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.408 -5.123 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.265 -6.738 -7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.847 -9.173 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.288 -8.467 -8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.110 -7.879 -9.742 1.00 0.00 H new ATOM 178 N THR A 13 0.936 -4.713 -10.070 1.00 0.00 N ATOM 179 CA THR A 13 -0.272 -3.967 -10.155 1.00 0.00 C ATOM 180 C THR A 13 -1.427 -4.859 -9.808 1.00 0.00 C ATOM 181 O THR A 13 -1.549 -5.979 -10.308 1.00 0.00 O ATOM 182 CB THR A 13 -0.457 -3.368 -11.558 1.00 0.00 C ATOM 183 OG1 THR A 13 0.280 -4.136 -12.519 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.006 -1.915 -11.601 1.00 0.00 C ATOM 0 H THR A 13 0.989 -5.520 -10.691 1.00 0.00 H new ATOM 0 HA THR A 13 -0.225 -3.138 -9.448 1.00 0.00 H new ATOM 0 HB THR A 13 -1.519 -3.401 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.156 -3.749 -13.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.149 -1.519 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.594 -1.330 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.049 -1.853 -11.334 1.00 0.00 H new ATOM 192 N LYS A 14 -2.263 -4.368 -8.942 1.00 0.00 N ATOM 193 CA LYS A 14 -3.404 -5.112 -8.506 1.00 0.00 C ATOM 194 C LYS A 14 -4.627 -4.261 -8.685 1.00 0.00 C ATOM 195 O LYS A 14 -4.669 -3.122 -8.236 1.00 0.00 O ATOM 196 CB LYS A 14 -3.210 -5.536 -7.049 1.00 0.00 C ATOM 197 CG LYS A 14 -2.311 -6.759 -6.908 1.00 0.00 C ATOM 198 CD LYS A 14 -2.941 -7.984 -7.561 1.00 0.00 C ATOM 199 CE LYS A 14 -1.982 -9.168 -7.622 1.00 0.00 C ATOM 200 NZ LYS A 14 -1.075 -9.108 -8.803 1.00 0.00 N ATOM 0 H LYS A 14 -2.173 -3.444 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.527 -6.019 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.779 -4.707 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.182 -5.751 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.343 -6.557 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.128 -6.960 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.833 -8.271 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.264 -7.729 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.385 -9.195 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.555 -10.094 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.693 -10.056 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.606 -8.773 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.292 -8.453 -8.606 1.00 0.00 H new ATOM 214 N SER A 15 -5.623 -4.804 -9.328 1.00 0.00 N ATOM 215 CA SER A 15 -6.778 -4.027 -9.657 1.00 0.00 C ATOM 216 C SER A 15 -8.027 -4.633 -9.084 1.00 0.00 C ATOM 217 O SER A 15 -8.253 -5.845 -9.126 1.00 0.00 O ATOM 218 CB SER A 15 -6.884 -3.892 -11.168 1.00 0.00 C ATOM 219 OG SER A 15 -6.310 -5.016 -11.818 1.00 0.00 O ATOM 0 H SER A 15 -5.656 -5.777 -9.632 1.00 0.00 H new ATOM 0 HA SER A 15 -6.670 -3.036 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.931 -3.796 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.379 -2.982 -11.492 1.00 0.00 H new ATOM 0 HG SER A 15 -6.391 -4.909 -12.789 1.00 0.00 H new ATOM 225 N ILE A 16 -8.807 -3.750 -8.530 1.00 0.00 N ATOM 226 CA ILE A 16 -10.058 -4.068 -7.925 1.00 0.00 C ATOM 227 C ILE A 16 -10.967 -2.873 -8.038 1.00 0.00 C ATOM 228 O ILE A 16 -10.510 -1.734 -8.031 1.00 0.00 O ATOM 229 CB ILE A 16 -9.905 -4.453 -6.444 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.279 -4.425 -5.770 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.899 -3.553 -5.740 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.461 -3.391 -4.689 1.00 0.00 C ATOM 0 H ILE A 16 -8.577 -2.757 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.477 -4.929 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.509 -5.466 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.035 -4.258 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.472 -5.408 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.813 -3.851 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.927 -3.645 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.235 -2.518 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.470 -3.463 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.736 -3.565 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.308 -2.396 -5.108 1.00 0.00 H new ATOM 244 N THR A 17 -12.238 -3.117 -8.154 1.00 0.00 N ATOM 245 CA THR A 17 -13.170 -2.034 -8.146 1.00 0.00 C ATOM 246 C THR A 17 -13.720 -1.862 -6.740 1.00 0.00 C ATOM 247 O THR A 17 -14.342 -2.771 -6.188 1.00 0.00 O ATOM 248 CB THR A 17 -14.317 -2.296 -9.120 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.818 -2.951 -10.294 1.00 0.00 O ATOM 250 CG2 THR A 17 -14.966 -0.990 -9.514 1.00 0.00 C ATOM 0 H THR A 17 -12.648 -4.045 -8.254 1.00 0.00 H new ATOM 0 HA THR A 17 -12.657 -1.125 -8.460 1.00 0.00 H new ATOM 0 HB THR A 17 -15.054 -2.934 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.558 -3.118 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.783 -1.185 -10.209 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.356 -0.495 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.228 -0.347 -9.993 1.00 0.00 H new ATOM 258 N LEU A 18 -13.491 -0.693 -6.167 1.00 0.00 N ATOM 259 CA LEU A 18 -13.997 -0.383 -4.866 1.00 0.00 C ATOM 260 C LEU A 18 -15.308 0.264 -5.089 1.00 0.00 C ATOM 261 O LEU A 18 -15.355 1.367 -5.603 1.00 0.00 O ATOM 262 CB LEU A 18 -13.093 0.614 -4.141 1.00 0.00 C ATOM 263 CG LEU A 18 -11.643 0.210 -4.013 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.799 1.406 -3.640 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.479 -0.875 -2.972 1.00 0.00 C ATOM 0 H LEU A 18 -12.950 0.057 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.058 -1.286 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.140 1.568 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.494 0.780 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.311 -0.177 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.756 1.102 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.889 2.170 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.142 1.810 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.427 -1.151 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.828 -0.509 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.063 -1.749 -3.262 1.00 0.00 H new ATOM 277 N GLU A 19 -16.385 -0.388 -4.785 1.00 0.00 N ATOM 278 CA GLU A 19 -17.614 0.315 -4.936 1.00 0.00 C ATOM 279 C GLU A 19 -17.693 1.282 -3.772 1.00 0.00 C ATOM 280 O GLU A 19 -18.207 0.969 -2.714 1.00 0.00 O ATOM 281 CB GLU A 19 -18.762 -0.693 -4.948 1.00 0.00 C ATOM 282 CG GLU A 19 -18.305 -2.102 -4.571 1.00 0.00 C ATOM 283 CD GLU A 19 -19.148 -3.182 -5.224 1.00 0.00 C ATOM 284 OE1 GLU A 19 -19.075 -3.329 -6.462 1.00 0.00 O ATOM 285 OE2 GLU A 19 -19.864 -3.908 -4.505 1.00 0.00 O ATOM 0 H GLU A 19 -16.441 -1.350 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.678 0.871 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.535 -0.367 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.213 -0.714 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.263 -2.233 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.349 -2.217 -3.488 1.00 0.00 H new ATOM 292 N ALA A 20 -17.149 2.464 -4.000 1.00 0.00 N ATOM 293 CA ALA A 20 -17.095 3.496 -2.982 1.00 0.00 C ATOM 294 C ALA A 20 -17.002 4.864 -3.621 1.00 0.00 C ATOM 295 O ALA A 20 -16.748 4.976 -4.809 1.00 0.00 O ATOM 296 CB ALA A 20 -15.910 3.261 -2.064 1.00 0.00 C ATOM 0 H ALA A 20 -16.734 2.734 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.010 3.453 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.879 4.041 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.010 2.288 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.989 3.284 -2.646 1.00 0.00 H new ATOM 302 N PRO A 21 -17.181 5.925 -2.855 1.00 0.00 N ATOM 303 CA PRO A 21 -16.812 7.252 -3.307 1.00 0.00 C ATOM 304 C PRO A 21 -15.321 7.492 -3.083 1.00 0.00 C ATOM 305 O PRO A 21 -14.711 6.838 -2.230 1.00 0.00 O ATOM 306 CB PRO A 21 -17.640 8.150 -2.412 1.00 0.00 C ATOM 307 CG PRO A 21 -17.744 7.394 -1.131 1.00 0.00 C ATOM 308 CD PRO A 21 -17.744 5.932 -1.497 1.00 0.00 C ATOM 0 HA PRO A 21 -16.989 7.419 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.160 9.118 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.623 8.343 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.908 7.629 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.656 7.660 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.138 5.344 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.749 5.512 -1.476 1.00 0.00 H new ATOM 316 N ILE A 22 -14.737 8.431 -3.820 1.00 0.00 N ATOM 317 CA ILE A 22 -13.301 8.701 -3.723 1.00 0.00 C ATOM 318 C ILE A 22 -12.918 9.059 -2.295 1.00 0.00 C ATOM 319 O ILE A 22 -11.845 8.730 -1.811 1.00 0.00 O ATOM 320 CB ILE A 22 -12.882 9.837 -4.686 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.395 10.164 -4.532 1.00 0.00 C ATOM 322 CG2 ILE A 22 -13.727 11.079 -4.453 1.00 0.00 C ATOM 323 CD1 ILE A 22 -10.858 11.093 -5.597 1.00 0.00 C ATOM 0 H ILE A 22 -15.232 9.019 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.771 7.793 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.051 9.492 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.232 10.616 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.825 9.235 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.416 11.865 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.777 10.842 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.595 11.421 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.798 11.277 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.987 10.635 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.401 12.038 -5.563 1.00 0.00 H new ATOM 335 N GLN A 23 -13.854 9.695 -1.638 1.00 0.00 N ATOM 336 CA GLN A 23 -13.714 10.182 -0.278 1.00 0.00 C ATOM 337 C GLN A 23 -13.622 9.069 0.784 1.00 0.00 C ATOM 338 O GLN A 23 -12.982 9.254 1.819 1.00 0.00 O ATOM 339 CB GLN A 23 -14.881 11.105 -0.013 1.00 0.00 C ATOM 340 CG GLN A 23 -16.159 10.538 -0.554 1.00 0.00 C ATOM 341 CD GLN A 23 -16.923 11.527 -1.419 1.00 0.00 C ATOM 342 OE1 GLN A 23 -17.620 11.137 -2.348 1.00 0.00 O ATOM 343 NE2 GLN A 23 -16.797 12.811 -1.124 1.00 0.00 N ATOM 0 H GLN A 23 -14.768 9.898 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.763 10.708 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.980 11.271 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.690 12.076 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.936 9.646 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.792 10.224 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.208 13.099 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.289 13.512 -1.678 1.00 0.00 H new ATOM 352 N LYS A 24 -14.259 7.926 0.564 1.00 0.00 N ATOM 353 CA LYS A 24 -14.195 6.863 1.565 1.00 0.00 C ATOM 354 C LYS A 24 -12.896 6.067 1.399 1.00 0.00 C ATOM 355 O LYS A 24 -12.219 5.713 2.369 1.00 0.00 O ATOM 356 CB LYS A 24 -15.415 5.947 1.425 1.00 0.00 C ATOM 357 CG LYS A 24 -15.459 4.802 2.421 1.00 0.00 C ATOM 358 CD LYS A 24 -15.505 5.295 3.855 1.00 0.00 C ATOM 359 CE LYS A 24 -15.671 4.134 4.822 1.00 0.00 C ATOM 360 NZ LYS A 24 -15.617 4.567 6.241 1.00 0.00 N ATOM 0 H LYS A 24 -14.809 7.712 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.203 7.303 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.318 6.546 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.431 5.535 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.334 4.183 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.583 4.169 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.589 5.838 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.331 5.996 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.624 3.640 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.888 3.398 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.133 3.884 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.626 4.614 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.054 5.506 6.334 1.00 0.00 H new ATOM 374 N VAL A 25 -12.525 5.849 0.155 1.00 0.00 N ATOM 375 CA VAL A 25 -11.192 5.379 -0.189 1.00 0.00 C ATOM 376 C VAL A 25 -10.137 6.402 0.255 1.00 0.00 C ATOM 377 O VAL A 25 -9.030 6.044 0.624 1.00 0.00 O ATOM 378 CB VAL A 25 -11.047 5.050 -1.689 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.833 4.161 -1.890 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.308 4.364 -2.224 1.00 0.00 C ATOM 0 H VAL A 25 -13.136 5.991 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.029 4.445 0.349 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.914 5.978 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.726 3.925 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.940 4.680 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.960 3.238 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.180 4.143 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.477 3.436 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.165 5.024 -2.092 1.00 0.00 H new ATOM 390 N TRP A 26 -10.495 7.676 0.186 1.00 0.00 N ATOM 391 CA TRP A 26 -9.656 8.780 0.677 1.00 0.00 C ATOM 392 C TRP A 26 -9.298 8.544 2.128 1.00 0.00 C ATOM 393 O TRP A 26 -8.173 8.770 2.549 1.00 0.00 O ATOM 394 CB TRP A 26 -10.495 10.048 0.605 1.00 0.00 C ATOM 395 CG TRP A 26 -9.787 11.334 0.383 1.00 0.00 C ATOM 396 CD1 TRP A 26 -8.844 11.960 1.145 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.056 12.180 -0.706 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.503 13.159 0.555 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.244 13.309 -0.591 1.00 0.00 C ATOM 400 CE3 TRP A 26 -10.918 12.060 -1.777 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.278 14.333 -1.535 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -10.961 13.056 -2.710 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.143 14.189 -2.590 1.00 0.00 C ATOM 0 H TRP A 26 -11.381 7.984 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.746 8.856 0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.223 9.923 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.057 10.131 1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.430 11.577 2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.815 13.823 0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.550 11.190 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -8.648 15.205 -1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.633 12.970 -3.551 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.195 14.962 -3.342 1.00 0.00 H new ATOM 414 N GLU A 27 -10.292 8.102 2.873 1.00 0.00 N ATOM 415 CA GLU A 27 -10.126 7.679 4.253 1.00 0.00 C ATOM 416 C GLU A 27 -9.260 6.417 4.326 1.00 0.00 C ATOM 417 O GLU A 27 -8.636 6.134 5.350 1.00 0.00 O ATOM 418 CB GLU A 27 -11.500 7.405 4.857 1.00 0.00 C ATOM 419 CG GLU A 27 -11.492 7.080 6.340 1.00 0.00 C ATOM 420 CD GLU A 27 -12.872 6.722 6.849 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.661 7.644 7.142 1.00 0.00 O ATOM 422 OE2 GLU A 27 -13.179 5.515 6.950 1.00 0.00 O ATOM 0 H GLU A 27 -11.251 8.025 2.534 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.627 8.469 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.133 8.277 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.958 6.574 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.810 6.250 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.111 7.936 6.897 1.00 0.00 H new ATOM 429 N THR A 28 -9.309 5.624 3.259 1.00 0.00 N ATOM 430 CA THR A 28 -8.693 4.304 3.240 1.00 0.00 C ATOM 431 C THR A 28 -7.309 4.153 2.527 1.00 0.00 C ATOM 432 O THR A 28 -6.711 3.097 2.630 1.00 0.00 O ATOM 433 CB THR A 28 -9.682 3.273 2.696 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.982 3.510 3.264 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.227 1.882 3.071 1.00 0.00 C ATOM 0 H THR A 28 -9.775 5.878 2.388 1.00 0.00 H new ATOM 0 HA THR A 28 -8.450 4.127 4.288 1.00 0.00 H new ATOM 0 HB THR A 28 -9.730 3.362 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.366 4.323 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.935 1.150 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.241 1.695 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.177 1.796 4.156 1.00 0.00 H new ATOM 443 N VAL A 29 -6.794 5.137 1.784 1.00 0.00 N ATOM 444 CA VAL A 29 -5.523 4.917 1.042 1.00 0.00 C ATOM 445 C VAL A 29 -4.484 6.029 1.241 1.00 0.00 C ATOM 446 O VAL A 29 -3.411 5.794 1.774 1.00 0.00 O ATOM 447 CB VAL A 29 -5.725 4.677 -0.479 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.490 3.409 -0.719 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.417 5.836 -1.166 1.00 0.00 C ATOM 0 H VAL A 29 -7.208 6.063 1.674 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.132 4.003 1.489 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.730 4.588 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.620 3.260 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.939 2.567 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.467 3.477 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.532 5.614 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.399 5.990 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.819 6.739 -1.047 1.00 0.00 H new ATOM 459 N SER A 30 -4.770 7.231 0.808 1.00 0.00 N ATOM 460 CA SER A 30 -3.795 8.306 0.930 1.00 0.00 C ATOM 461 C SER A 30 -4.112 9.114 2.165 1.00 0.00 C ATOM 462 O SER A 30 -4.521 10.272 2.093 1.00 0.00 O ATOM 463 CB SER A 30 -3.805 9.174 -0.313 1.00 0.00 C ATOM 464 OG SER A 30 -5.111 9.624 -0.604 1.00 0.00 O ATOM 0 H SER A 30 -5.654 7.496 0.373 1.00 0.00 H new ATOM 0 HA SER A 30 -2.793 7.888 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.145 10.030 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.414 8.609 -1.159 1.00 0.00 H new ATOM 0 HG SER A 30 -5.472 10.103 0.171 1.00 0.00 H new ATOM 470 N THR A 31 -3.968 8.462 3.291 1.00 0.00 N ATOM 471 CA THR A 31 -4.465 8.979 4.529 1.00 0.00 C ATOM 472 C THR A 31 -3.689 8.374 5.682 1.00 0.00 C ATOM 473 O THR A 31 -2.718 7.653 5.463 1.00 0.00 O ATOM 474 CB THR A 31 -5.982 8.719 4.627 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.498 9.005 5.936 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.292 7.292 4.226 1.00 0.00 C ATOM 0 H THR A 31 -3.502 7.558 3.369 1.00 0.00 H new ATOM 0 HA THR A 31 -4.321 10.058 4.577 1.00 0.00 H new ATOM 0 HB THR A 31 -6.479 9.400 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.407 9.963 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.366 7.119 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.966 7.123 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.768 6.605 4.891 1.00 0.00 H new ATOM 484 N SER A 32 -4.075 8.724 6.884 1.00 0.00 N ATOM 485 CA SER A 32 -3.504 8.154 8.083 1.00 0.00 C ATOM 486 C SER A 32 -3.801 6.662 8.116 1.00 0.00 C ATOM 487 O SER A 32 -4.539 6.155 7.266 1.00 0.00 O ATOM 488 CB SER A 32 -4.061 8.810 9.336 1.00 0.00 C ATOM 489 OG SER A 32 -3.882 10.220 9.301 1.00 0.00 O ATOM 0 H SER A 32 -4.801 9.419 7.061 1.00 0.00 H new ATOM 0 HA SER A 32 -2.428 8.328 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.122 8.578 9.430 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.565 8.400 10.216 1.00 0.00 H new ATOM 0 HG SER A 32 -4.251 10.617 10.118 1.00 0.00 H new ATOM 495 N GLU A 33 -3.159 5.974 9.054 1.00 0.00 N ATOM 496 CA GLU A 33 -2.993 4.515 9.094 1.00 0.00 C ATOM 497 C GLU A 33 -4.287 3.717 8.867 1.00 0.00 C ATOM 498 O GLU A 33 -4.266 2.494 8.918 1.00 0.00 O ATOM 499 CB GLU A 33 -2.388 4.117 10.430 1.00 0.00 C ATOM 500 CG GLU A 33 -1.330 5.092 10.916 1.00 0.00 C ATOM 501 CD GLU A 33 -1.239 5.126 12.426 1.00 0.00 C ATOM 502 OE1 GLU A 33 -0.621 4.218 13.018 1.00 0.00 O ATOM 503 OE2 GLU A 33 -1.820 6.053 13.027 1.00 0.00 O ATOM 0 H GLU A 33 -2.717 6.436 9.849 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.335 4.264 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.180 4.048 11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.946 3.124 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.362 4.812 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.560 6.091 10.544 1.00 0.00 H new ATOM 510 N GLY A 34 -5.416 4.381 8.714 1.00 0.00 N ATOM 511 CA GLY A 34 -6.600 3.678 8.271 1.00 0.00 C ATOM 512 C GLY A 34 -6.355 2.983 6.945 1.00 0.00 C ATOM 513 O GLY A 34 -6.927 1.927 6.684 1.00 0.00 O ATOM 0 H GLY A 34 -5.537 5.379 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.894 2.944 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.428 4.380 8.170 1.00 0.00 H new ATOM 517 N ILE A 35 -5.500 3.570 6.104 1.00 0.00 N ATOM 518 CA ILE A 35 -5.038 2.896 4.922 1.00 0.00 C ATOM 519 C ILE A 35 -4.149 1.697 5.265 1.00 0.00 C ATOM 520 O ILE A 35 -4.160 0.677 4.588 1.00 0.00 O ATOM 521 CB ILE A 35 -4.359 3.865 3.942 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.545 3.117 2.889 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.515 4.919 4.643 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.054 3.229 3.107 1.00 0.00 C ATOM 0 H ILE A 35 -5.123 4.509 6.233 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.915 2.499 4.411 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.163 4.397 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.830 2.065 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.793 3.507 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.061 5.574 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.147 5.508 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.732 4.431 5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.530 2.677 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.759 4.278 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.796 2.813 4.081 1.00 0.00 H new ATOM 536 N ALA A 36 -3.361 1.833 6.304 1.00 0.00 N ATOM 537 CA ALA A 36 -2.676 0.676 6.885 1.00 0.00 C ATOM 538 C ALA A 36 -3.664 -0.451 7.213 1.00 0.00 C ATOM 539 O ALA A 36 -3.332 -1.634 7.096 1.00 0.00 O ATOM 540 CB ALA A 36 -1.940 1.075 8.154 1.00 0.00 C ATOM 0 H ALA A 36 -3.171 2.720 6.770 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.963 0.315 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.437 0.203 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.202 1.843 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.653 1.466 8.880 1.00 0.00 H new ATOM 546 N LYS A 37 -4.878 -0.080 7.606 1.00 0.00 N ATOM 547 CA LYS A 37 -5.842 -1.031 8.156 1.00 0.00 C ATOM 548 C LYS A 37 -6.574 -1.861 7.092 1.00 0.00 C ATOM 549 O LYS A 37 -7.746 -2.200 7.275 1.00 0.00 O ATOM 550 CB LYS A 37 -6.870 -0.301 9.029 1.00 0.00 C ATOM 551 CG LYS A 37 -6.267 0.414 10.229 1.00 0.00 C ATOM 552 CD LYS A 37 -5.487 -0.542 11.120 1.00 0.00 C ATOM 553 CE LYS A 37 -4.872 0.177 12.312 1.00 0.00 C ATOM 554 NZ LYS A 37 -3.978 1.288 11.892 1.00 0.00 N ATOM 0 H LYS A 37 -5.221 0.879 7.554 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.259 -1.732 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.401 0.426 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.609 -1.021 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.607 1.210 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.061 0.886 10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.149 -1.333 11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.700 -1.022 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.666 0.571 12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.307 -0.535 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.402 1.595 12.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.354 0.961 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.552 2.086 11.553 1.00 0.00 H new ATOM 568 N TRP A 38 -5.918 -2.193 5.981 1.00 0.00 N ATOM 569 CA TRP A 38 -6.445 -3.258 5.132 1.00 0.00 C ATOM 570 C TRP A 38 -5.870 -4.553 5.686 1.00 0.00 C ATOM 571 O TRP A 38 -6.603 -5.478 6.044 1.00 0.00 O ATOM 572 CB TRP A 38 -6.089 -3.121 3.625 1.00 0.00 C ATOM 573 CG TRP A 38 -6.058 -1.717 3.094 1.00 0.00 C ATOM 574 CD1 TRP A 38 -6.603 -0.626 3.684 1.00 0.00 C ATOM 575 CD2 TRP A 38 -5.473 -1.248 1.849 1.00 0.00 C ATOM 576 NE1 TRP A 38 -6.310 0.496 2.957 1.00 0.00 N ATOM 577 CE2 TRP A 38 -5.630 0.144 1.828 1.00 0.00 C ATOM 578 CE3 TRP A 38 -4.807 -1.845 0.768 1.00 0.00 C ATOM 579 CZ2 TRP A 38 -5.143 0.943 0.791 1.00 0.00 C ATOM 580 CZ3 TRP A 38 -4.346 -1.040 -0.263 1.00 0.00 C ATOM 581 CH2 TRP A 38 -4.509 0.332 -0.236 1.00 0.00 C ATOM 0 H TRP A 38 -5.054 -1.759 5.657 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.534 -3.220 5.159 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.113 -3.576 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.812 -3.695 3.045 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -7.184 -0.640 4.595 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -6.561 1.449 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.656 -2.914 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.269 2.016 0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.848 -1.496 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.123 0.928 -1.050 1.00 0.00 H new ATOM 592 N PHE A 39 -4.540 -4.557 5.782 1.00 0.00 N ATOM 593 CA PHE A 39 -3.767 -5.580 6.482 1.00 0.00 C ATOM 594 C PHE A 39 -2.286 -5.368 6.186 1.00 0.00 C ATOM 595 O PHE A 39 -1.625 -6.205 5.572 1.00 0.00 O ATOM 596 CB PHE A 39 -4.183 -7.006 6.104 1.00 0.00 C ATOM 597 CG PHE A 39 -3.523 -8.064 6.948 1.00 0.00 C ATOM 598 CD1 PHE A 39 -3.734 -8.107 8.317 1.00 0.00 C ATOM 599 CD2 PHE A 39 -2.684 -9.006 6.376 1.00 0.00 C ATOM 600 CE1 PHE A 39 -3.124 -9.071 9.097 1.00 0.00 C ATOM 601 CE2 PHE A 39 -2.072 -9.973 7.151 1.00 0.00 C ATOM 602 CZ PHE A 39 -2.292 -10.006 8.514 1.00 0.00 C ATOM 0 H PHE A 39 -3.958 -3.831 5.365 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.965 -5.474 7.549 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.265 -7.098 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.939 -7.182 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.383 -7.378 8.780 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.506 -8.985 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.298 -9.093 10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.422 -10.703 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.815 -10.761 9.122 1.00 0.00 H new ATOM 612 N MET A 40 -1.782 -4.220 6.599 1.00 0.00 N ATOM 613 CA MET A 40 -0.384 -3.877 6.396 1.00 0.00 C ATOM 614 C MET A 40 0.069 -2.894 7.466 1.00 0.00 C ATOM 615 O MET A 40 -0.554 -1.853 7.657 1.00 0.00 O ATOM 616 CB MET A 40 -0.178 -3.269 5.002 1.00 0.00 C ATOM 617 CG MET A 40 1.269 -2.908 4.699 1.00 0.00 C ATOM 618 SD MET A 40 2.358 -4.345 4.676 1.00 0.00 S ATOM 619 CE MET A 40 3.953 -3.568 4.433 1.00 0.00 C ATOM 0 H MET A 40 -2.324 -3.503 7.081 1.00 0.00 H new ATOM 0 HA MET A 40 0.213 -4.786 6.470 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.532 -3.976 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.793 -2.374 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.319 -2.405 3.733 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.626 -2.199 5.446 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.737 -4.215 4.827 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.119 -3.403 3.368 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.975 -2.612 4.956 1.00 0.00 H new ATOM 629 N PRO A 41 1.134 -3.221 8.202 1.00 0.00 N ATOM 630 CA PRO A 41 1.673 -2.338 9.234 1.00 0.00 C ATOM 631 C PRO A 41 2.289 -1.074 8.670 1.00 0.00 C ATOM 632 O PRO A 41 3.364 -1.105 8.071 1.00 0.00 O ATOM 633 CB PRO A 41 2.760 -3.161 9.903 1.00 0.00 C ATOM 634 CG PRO A 41 2.508 -4.571 9.484 1.00 0.00 C ATOM 635 CD PRO A 41 1.884 -4.481 8.121 1.00 0.00 C ATOM 0 HA PRO A 41 0.880 -2.010 9.906 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.751 -2.830 9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.717 -3.060 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.436 -5.143 9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.845 -5.076 10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.635 -4.457 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.232 -5.330 7.916 1.00 0.00 H new ATOM 643 N ASN A 42 1.593 0.027 8.842 1.00 0.00 N ATOM 644 CA ASN A 42 2.127 1.327 8.474 1.00 0.00 C ATOM 645 C ASN A 42 1.424 2.442 9.227 1.00 0.00 C ATOM 646 O ASN A 42 0.256 2.329 9.580 1.00 0.00 O ATOM 647 CB ASN A 42 2.069 1.567 6.955 1.00 0.00 C ATOM 648 CG ASN A 42 0.694 1.455 6.339 1.00 0.00 C ATOM 649 OD1 ASN A 42 0.335 0.261 5.894 1.00 0.00 O flip ATOM 650 ND2 ASN A 42 -0.033 2.441 6.244 1.00 0.00 N flip ATOM 0 H ASN A 42 0.652 0.052 9.235 1.00 0.00 H new ATOM 0 HA ASN A 42 3.178 1.332 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.464 2.561 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.729 0.851 6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.282 3.343 6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.952 2.357 5.809 1.00 0.00 H new ATOM 657 N ASP A 43 2.162 3.496 9.501 1.00 0.00 N ATOM 658 CA ASP A 43 1.617 4.701 10.069 1.00 0.00 C ATOM 659 C ASP A 43 1.629 5.792 9.017 1.00 0.00 C ATOM 660 O ASP A 43 1.964 6.945 9.286 1.00 0.00 O ATOM 661 CB ASP A 43 2.383 5.117 11.334 1.00 0.00 C ATOM 662 CG ASP A 43 3.900 5.009 11.218 1.00 0.00 C ATOM 663 OD1 ASP A 43 4.423 4.893 10.090 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.579 5.012 12.277 1.00 0.00 O ATOM 0 H ASP A 43 3.167 3.537 9.332 1.00 0.00 H new ATOM 0 HA ASP A 43 0.587 4.522 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.122 6.147 11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.050 4.497 12.166 1.00 0.00 H new ATOM 669 N PHE A 44 1.250 5.396 7.801 1.00 0.00 N ATOM 670 CA PHE A 44 1.185 6.312 6.676 1.00 0.00 C ATOM 671 C PHE A 44 0.199 7.431 6.952 1.00 0.00 C ATOM 672 O PHE A 44 -0.843 7.228 7.564 1.00 0.00 O ATOM 673 CB PHE A 44 0.774 5.586 5.387 1.00 0.00 C ATOM 674 CG PHE A 44 0.797 6.494 4.186 1.00 0.00 C ATOM 675 CD1 PHE A 44 1.921 7.249 3.923 1.00 0.00 C ATOM 676 CD2 PHE A 44 -0.298 6.618 3.340 1.00 0.00 C ATOM 677 CE1 PHE A 44 1.967 8.109 2.848 1.00 0.00 C ATOM 678 CE2 PHE A 44 -0.255 7.485 2.259 1.00 0.00 C ATOM 679 CZ PHE A 44 0.879 8.230 2.015 1.00 0.00 C ATOM 0 H PHE A 44 0.983 4.438 7.576 1.00 0.00 H new ATOM 0 HA PHE A 44 2.183 6.730 6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.446 4.745 5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.228 5.174 5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.780 7.164 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.188 6.035 3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.858 8.689 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.111 7.577 1.607 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.913 8.906 1.173 1.00 0.00 H new ATOM 689 N GLN A 45 0.575 8.607 6.509 1.00 0.00 N ATOM 690 CA GLN A 45 -0.269 9.783 6.523 1.00 0.00 C ATOM 691 C GLN A 45 -0.001 10.443 5.197 1.00 0.00 C ATOM 692 O GLN A 45 1.139 10.373 4.738 1.00 0.00 O ATOM 693 CB GLN A 45 0.122 10.722 7.674 1.00 0.00 C ATOM 694 CG GLN A 45 0.178 10.044 9.033 1.00 0.00 C ATOM 695 CD GLN A 45 0.566 10.998 10.144 1.00 0.00 C ATOM 696 OE1 GLN A 45 1.748 11.210 10.410 1.00 0.00 O ATOM 697 NE2 GLN A 45 -0.424 11.570 10.810 1.00 0.00 N ATOM 0 H GLN A 45 1.501 8.779 6.118 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.321 9.537 6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.097 11.159 7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.593 11.543 7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.795 9.607 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.895 9.224 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.392 11.368 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.220 12.213 11.575 1.00 0.00 H new ATOM 706 N LEU A 46 -0.975 11.060 4.538 1.00 0.00 N ATOM 707 CA LEU A 46 -0.649 11.576 3.225 1.00 0.00 C ATOM 708 C LEU A 46 0.230 12.803 3.387 1.00 0.00 C ATOM 709 O LEU A 46 -0.201 13.906 3.726 1.00 0.00 O ATOM 710 CB LEU A 46 -1.879 11.846 2.342 1.00 0.00 C ATOM 711 CG LEU A 46 -2.705 13.094 2.655 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.744 13.332 1.569 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.384 12.984 4.013 1.00 0.00 C ATOM 0 H LEU A 46 -1.930 11.207 4.865 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.101 10.804 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.543 11.914 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.538 10.980 2.407 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.022 13.943 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.323 14.224 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.243 13.470 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.411 12.472 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.963 13.887 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.048 12.120 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.628 12.866 4.789 1.00 0.00 H new ATOM 725 N LYS A 47 1.487 12.539 3.155 1.00 0.00 N ATOM 726 CA LYS A 47 2.559 13.480 3.286 1.00 0.00 C ATOM 727 C LYS A 47 3.348 13.408 2.024 1.00 0.00 C ATOM 728 O LYS A 47 3.271 12.417 1.341 1.00 0.00 O ATOM 729 CB LYS A 47 3.435 13.143 4.479 1.00 0.00 C ATOM 730 CG LYS A 47 2.925 13.730 5.777 1.00 0.00 C ATOM 731 CD LYS A 47 3.793 13.328 6.962 1.00 0.00 C ATOM 732 CE LYS A 47 3.167 13.724 8.294 1.00 0.00 C ATOM 733 NZ LYS A 47 2.897 15.183 8.379 1.00 0.00 N ATOM 0 H LYS A 47 1.804 11.617 2.855 1.00 0.00 H new ATOM 0 HA LYS A 47 2.171 14.485 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.501 12.060 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.445 13.508 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.899 14.817 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.901 13.398 5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.953 12.250 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.772 13.797 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.235 13.176 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.832 13.432 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.551 15.417 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.773 15.710 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.177 15.444 7.675 1.00 0.00 H new ATOM 747 N GLU A 48 3.970 14.471 1.632 1.00 0.00 N ATOM 748 CA GLU A 48 4.758 14.428 0.434 1.00 0.00 C ATOM 749 C GLU A 48 6.199 14.868 0.652 1.00 0.00 C ATOM 750 O GLU A 48 6.462 15.934 1.218 1.00 0.00 O ATOM 751 CB GLU A 48 4.060 15.168 -0.683 1.00 0.00 C ATOM 752 CG GLU A 48 3.892 14.279 -1.881 1.00 0.00 C ATOM 753 CD GLU A 48 5.127 14.277 -2.751 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.101 13.592 -2.405 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.133 14.997 -3.775 1.00 0.00 O ATOM 0 H GLU A 48 3.952 15.371 2.112 1.00 0.00 H new ATOM 0 HA GLU A 48 4.841 13.386 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.085 15.516 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.636 16.052 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.676 13.262 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.035 14.614 -2.466 1.00 0.00 H new ATOM 762 N GLY A 49 7.118 14.037 0.178 1.00 0.00 N ATOM 763 CA GLY A 49 8.552 14.293 0.316 1.00 0.00 C ATOM 764 C GLY A 49 8.959 14.496 1.761 1.00 0.00 C ATOM 765 O GLY A 49 9.800 15.339 2.083 1.00 0.00 O ATOM 0 H GLY A 49 6.896 13.170 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.111 13.456 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.819 15.177 -0.263 1.00 0.00 H new ATOM 769 N GLN A 50 8.327 13.729 2.620 1.00 0.00 N ATOM 770 CA GLN A 50 8.419 13.876 4.044 1.00 0.00 C ATOM 771 C GLN A 50 9.201 12.728 4.624 1.00 0.00 C ATOM 772 O GLN A 50 9.559 11.792 3.915 1.00 0.00 O ATOM 773 CB GLN A 50 7.005 13.870 4.605 1.00 0.00 C ATOM 774 CG GLN A 50 6.531 12.486 4.971 1.00 0.00 C ATOM 775 CD GLN A 50 6.486 11.591 3.770 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.190 12.033 2.669 1.00 0.00 O ATOM 777 NE2 GLN A 50 6.865 10.348 3.956 1.00 0.00 N ATOM 0 H GLN A 50 7.717 12.964 2.332 1.00 0.00 H new ATOM 0 HA GLN A 50 8.926 14.806 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.966 14.508 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.325 14.300 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.196 12.058 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.540 12.546 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.103 10.022 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.922 9.708 3.164 1.00 0.00 H new ATOM 786 N GLU A 51 9.475 12.801 5.896 1.00 0.00 N ATOM 787 CA GLU A 51 9.742 11.594 6.625 1.00 0.00 C ATOM 788 C GLU A 51 8.693 11.450 7.725 1.00 0.00 C ATOM 789 O GLU A 51 8.444 12.395 8.470 1.00 0.00 O ATOM 790 CB GLU A 51 11.157 11.592 7.211 1.00 0.00 C ATOM 791 CG GLU A 51 12.258 11.611 6.160 1.00 0.00 C ATOM 792 CD GLU A 51 12.553 12.998 5.611 1.00 0.00 C ATOM 793 OE1 GLU A 51 12.105 14.001 6.214 1.00 0.00 O ATOM 794 OE2 GLU A 51 13.256 13.091 4.581 1.00 0.00 O ATOM 0 H GLU A 51 9.519 13.663 6.440 1.00 0.00 H new ATOM 0 HA GLU A 51 9.684 10.743 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.272 12.460 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.280 10.708 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.170 11.200 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.973 10.956 5.336 1.00 0.00 H new ATOM 801 N PHE A 52 8.070 10.275 7.831 1.00 0.00 N ATOM 802 CA PHE A 52 7.039 10.070 8.849 1.00 0.00 C ATOM 803 C PHE A 52 7.237 8.807 9.662 1.00 0.00 C ATOM 804 O PHE A 52 7.456 7.724 9.124 1.00 0.00 O ATOM 805 CB PHE A 52 5.613 10.105 8.280 1.00 0.00 C ATOM 806 CG PHE A 52 5.368 9.443 6.964 1.00 0.00 C ATOM 807 CD1 PHE A 52 5.971 8.259 6.591 1.00 0.00 C ATOM 808 CD2 PHE A 52 4.498 10.048 6.090 1.00 0.00 C ATOM 809 CE1 PHE A 52 5.710 7.705 5.359 1.00 0.00 C ATOM 810 CE2 PHE A 52 4.230 9.509 4.872 1.00 0.00 C ATOM 811 CZ PHE A 52 4.837 8.332 4.491 1.00 0.00 C ATOM 0 H PHE A 52 8.256 9.466 7.238 1.00 0.00 H new ATOM 0 HA PHE A 52 7.157 10.920 9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.949 9.647 9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.315 11.150 8.189 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.651 7.765 7.269 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.017 10.971 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.187 6.780 5.071 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.541 10.003 4.203 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.632 7.903 3.521 1.00 0.00 H new ATOM 821 N HIS A 53 7.180 8.976 10.970 1.00 0.00 N ATOM 822 CA HIS A 53 7.168 7.863 11.899 1.00 0.00 C ATOM 823 C HIS A 53 6.316 8.234 13.100 1.00 0.00 C ATOM 824 O HIS A 53 6.410 9.352 13.605 1.00 0.00 O ATOM 825 CB HIS A 53 8.597 7.504 12.345 1.00 0.00 C ATOM 826 CG HIS A 53 9.372 8.646 12.948 1.00 0.00 C ATOM 827 ND1 HIS A 53 9.531 8.825 14.308 1.00 0.00 N ATOM 828 CD2 HIS A 53 10.049 9.664 12.361 1.00 0.00 C ATOM 829 CE1 HIS A 53 10.267 9.899 14.528 1.00 0.00 C ATOM 830 NE2 HIS A 53 10.595 10.423 13.364 1.00 0.00 N ATOM 0 H HIS A 53 7.141 9.891 11.418 1.00 0.00 H new ATOM 0 HA HIS A 53 6.746 6.988 11.405 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.544 6.694 13.073 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.147 7.123 11.484 1.00 0.00 H new ATOM 0 HD1 HIS A 53 9.140 8.221 15.031 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.141 9.844 11.300 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.552 10.283 15.497 1.00 0.00 H new ATOM 839 N LEU A 54 5.488 7.308 13.549 1.00 0.00 N ATOM 840 CA LEU A 54 4.713 7.511 14.760 1.00 0.00 C ATOM 841 C LEU A 54 5.542 7.044 15.944 1.00 0.00 C ATOM 842 O LEU A 54 5.407 7.554 17.058 1.00 0.00 O ATOM 843 CB LEU A 54 3.376 6.755 14.670 1.00 0.00 C ATOM 844 CG LEU A 54 2.366 7.025 15.796 1.00 0.00 C ATOM 845 CD1 LEU A 54 0.948 6.805 15.290 1.00 0.00 C ATOM 846 CD2 LEU A 54 2.632 6.125 16.996 1.00 0.00 C ATOM 0 H LEU A 54 5.335 6.408 13.094 1.00 0.00 H new ATOM 0 HA LEU A 54 4.476 8.567 14.887 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.904 7.005 13.720 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.588 5.686 14.649 1.00 0.00 H new ATOM 0 HG LEU A 54 2.480 8.062 16.112 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.240 6.999 16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.748 7.483 14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.838 5.775 14.951 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.903 6.337 17.778 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.547 5.081 16.694 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.636 6.312 17.376 1.00 0.00 H new ATOM 858 N GLN A 55 6.423 6.090 15.674 1.00 0.00 N ATOM 859 CA GLN A 55 7.325 5.558 16.680 1.00 0.00 C ATOM 860 C GLN A 55 8.212 6.660 17.251 1.00 0.00 C ATOM 861 O GLN A 55 8.728 7.511 16.521 1.00 0.00 O ATOM 862 CB GLN A 55 8.178 4.437 16.076 1.00 0.00 C ATOM 863 CG GLN A 55 9.087 4.884 14.940 1.00 0.00 C ATOM 864 CD GLN A 55 9.761 3.720 14.243 1.00 0.00 C ATOM 865 OE1 GLN A 55 10.828 3.266 14.656 1.00 0.00 O ATOM 866 NE2 GLN A 55 9.152 3.239 13.171 1.00 0.00 N ATOM 0 H GLN A 55 6.530 5.666 14.753 1.00 0.00 H new ATOM 0 HA GLN A 55 6.732 5.148 17.498 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.790 3.997 16.864 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.518 3.651 15.709 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.504 5.450 14.214 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.848 5.558 15.332 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.268 3.644 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.566 2.463 12.654 1.00 0.00 H new ATOM 875 N SER A 56 8.361 6.640 18.567 1.00 0.00 N ATOM 876 CA SER A 56 9.138 7.642 19.285 1.00 0.00 C ATOM 877 C SER A 56 10.649 7.566 18.993 1.00 0.00 C ATOM 878 O SER A 56 11.295 8.614 18.944 1.00 0.00 O ATOM 879 CB SER A 56 8.882 7.519 20.786 1.00 0.00 C ATOM 880 OG SER A 56 7.496 7.644 21.068 1.00 0.00 O ATOM 0 H SER A 56 7.947 5.928 19.169 1.00 0.00 H new ATOM 0 HA SER A 56 8.805 8.616 18.927 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.246 6.556 21.145 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.438 8.290 21.320 1.00 0.00 H new ATOM 0 HG SER A 56 7.350 7.561 22.033 1.00 0.00 H new ATOM 886 N PRO A 57 11.253 6.351 18.831 1.00 0.00 N ATOM 887 CA PRO A 57 12.667 6.223 18.446 1.00 0.00 C ATOM 888 C PRO A 57 13.059 7.166 17.309 1.00 0.00 C ATOM 889 O PRO A 57 12.331 7.315 16.321 1.00 0.00 O ATOM 890 CB PRO A 57 12.774 4.769 17.995 1.00 0.00 C ATOM 891 CG PRO A 57 11.778 4.052 18.834 1.00 0.00 C ATOM 892 CD PRO A 57 10.643 5.019 19.057 1.00 0.00 C ATOM 0 HA PRO A 57 13.336 6.485 19.266 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.550 4.664 16.934 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.780 4.377 18.149 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.427 3.148 18.335 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.218 3.743 19.782 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.821 4.835 18.366 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.238 4.932 20.065 1.00 0.00 H new ATOM 900 N PHE A 58 14.216 7.797 17.460 1.00 0.00 N ATOM 901 CA PHE A 58 14.671 8.806 16.517 1.00 0.00 C ATOM 902 C PHE A 58 15.203 8.183 15.234 1.00 0.00 C ATOM 903 O PHE A 58 16.413 8.046 15.046 1.00 0.00 O ATOM 904 CB PHE A 58 15.739 9.700 17.156 1.00 0.00 C ATOM 905 CG PHE A 58 15.195 10.606 18.223 1.00 0.00 C ATOM 906 CD1 PHE A 58 14.702 11.857 17.893 1.00 0.00 C ATOM 907 CD2 PHE A 58 15.172 10.207 19.549 1.00 0.00 C ATOM 908 CE1 PHE A 58 14.196 12.695 18.868 1.00 0.00 C ATOM 909 CE2 PHE A 58 14.666 11.040 20.527 1.00 0.00 C ATOM 910 CZ PHE A 58 14.178 12.285 20.187 1.00 0.00 C ATOM 0 H PHE A 58 14.859 7.625 18.233 1.00 0.00 H new ATOM 0 HA PHE A 58 13.808 9.418 16.255 1.00 0.00 H new ATOM 0 HB2 PHE A 58 16.519 9.072 17.586 1.00 0.00 H new ATOM 0 HB3 PHE A 58 16.208 10.305 16.380 1.00 0.00 H new ATOM 0 HD1 PHE A 58 14.713 12.181 16.863 1.00 0.00 H new ATOM 0 HD2 PHE A 58 15.554 9.234 19.821 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.815 13.669 18.599 1.00 0.00 H new ATOM 0 HE2 PHE A 58 14.652 10.717 21.558 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.783 12.938 20.951 1.00 0.00 H new ATOM 920 N GLY A 59 14.287 7.785 14.365 1.00 0.00 N ATOM 921 CA GLY A 59 14.661 7.365 13.037 1.00 0.00 C ATOM 922 C GLY A 59 14.756 8.559 12.111 1.00 0.00 C ATOM 923 O GLY A 59 13.739 9.193 11.821 1.00 0.00 O ATOM 0 H GLY A 59 13.287 7.746 14.560 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.619 6.845 13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.927 6.657 12.653 1.00 0.00 H new ATOM 927 N PRO A 60 15.971 8.898 11.644 1.00 0.00 N ATOM 928 CA PRO A 60 16.209 10.094 10.825 1.00 0.00 C ATOM 929 C PRO A 60 15.309 10.149 9.595 1.00 0.00 C ATOM 930 O PRO A 60 14.650 11.154 9.338 1.00 0.00 O ATOM 931 CB PRO A 60 17.683 9.968 10.410 1.00 0.00 C ATOM 932 CG PRO A 60 18.069 8.559 10.713 1.00 0.00 C ATOM 933 CD PRO A 60 17.207 8.136 11.867 1.00 0.00 C ATOM 0 HA PRO A 60 15.989 11.008 11.377 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.812 10.190 9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 60 18.306 10.672 10.961 1.00 0.00 H new ATOM 0 HG2 PRO A 60 17.908 7.915 9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 60 19.126 8.490 10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.026 7.061 11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 60 17.665 8.380 12.825 1.00 0.00 H new ATOM 941 N SER A 61 15.269 9.058 8.852 1.00 0.00 N ATOM 942 CA SER A 61 14.426 8.972 7.675 1.00 0.00 C ATOM 943 C SER A 61 13.758 7.605 7.595 1.00 0.00 C ATOM 944 O SER A 61 14.352 6.638 7.114 1.00 0.00 O ATOM 945 CB SER A 61 15.257 9.252 6.419 1.00 0.00 C ATOM 946 OG SER A 61 16.544 8.660 6.514 1.00 0.00 O ATOM 0 H SER A 61 15.813 8.217 9.044 1.00 0.00 H new ATOM 0 HA SER A 61 13.640 9.724 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.739 8.863 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.358 10.328 6.279 1.00 0.00 H new ATOM 0 HG SER A 61 16.451 7.708 6.726 1.00 0.00 H new ATOM 952 N PRO A 62 12.520 7.495 8.107 1.00 0.00 N ATOM 953 CA PRO A 62 11.762 6.248 8.051 1.00 0.00 C ATOM 954 C PRO A 62 11.263 5.959 6.644 1.00 0.00 C ATOM 955 O PRO A 62 11.932 5.315 5.845 1.00 0.00 O ATOM 956 CB PRO A 62 10.578 6.510 8.989 1.00 0.00 C ATOM 957 CG PRO A 62 10.386 7.991 8.939 1.00 0.00 C ATOM 958 CD PRO A 62 11.766 8.574 8.777 1.00 0.00 C ATOM 0 HA PRO A 62 12.363 5.385 8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.684 5.982 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.791 6.171 10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.741 8.275 8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.911 8.356 9.850 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.749 9.484 8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.207 8.834 9.739 1.00 0.00 H new ATOM 966 N CYS A 63 10.092 6.476 6.352 1.00 0.00 N ATOM 967 CA CYS A 63 9.480 6.329 5.060 1.00 0.00 C ATOM 968 C CYS A 63 9.226 7.715 4.487 1.00 0.00 C ATOM 969 O CYS A 63 8.987 8.664 5.240 1.00 0.00 O ATOM 970 CB CYS A 63 8.187 5.535 5.225 1.00 0.00 C ATOM 971 SG CYS A 63 7.233 5.289 3.728 1.00 0.00 S ATOM 0 H CYS A 63 9.535 7.015 7.015 1.00 0.00 H new ATOM 0 HA CYS A 63 10.126 5.788 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.432 4.559 5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.559 6.045 5.955 1.00 0.00 H new ATOM 0 HG CYS A 63 7.991 5.492 2.692 1.00 0.00 H new ATOM 977 N LYS A 64 9.267 7.837 3.173 1.00 0.00 N ATOM 978 CA LYS A 64 9.194 9.139 2.532 1.00 0.00 C ATOM 979 C LYS A 64 8.247 9.042 1.362 1.00 0.00 C ATOM 980 O LYS A 64 8.288 8.061 0.625 1.00 0.00 O ATOM 981 CB LYS A 64 10.589 9.581 2.074 1.00 0.00 C ATOM 982 CG LYS A 64 11.294 8.570 1.186 1.00 0.00 C ATOM 983 CD LYS A 64 12.681 9.043 0.786 1.00 0.00 C ATOM 984 CE LYS A 64 13.334 8.079 -0.190 1.00 0.00 C ATOM 985 NZ LYS A 64 12.608 8.027 -1.487 1.00 0.00 N ATOM 0 H LYS A 64 9.350 7.051 2.528 1.00 0.00 H new ATOM 0 HA LYS A 64 8.825 9.886 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.502 10.525 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.206 9.771 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.372 7.617 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.698 8.394 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.613 10.032 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.304 9.141 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.367 8.382 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.364 7.082 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.208 7.569 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.730 7.482 -1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.378 8.993 -1.795 1.00 0.00 H new ATOM 999 N VAL A 65 7.341 9.996 1.215 1.00 0.00 N ATOM 1000 CA VAL A 65 6.441 9.928 0.098 1.00 0.00 C ATOM 1001 C VAL A 65 7.096 10.529 -1.130 1.00 0.00 C ATOM 1002 O VAL A 65 7.621 11.635 -1.083 1.00 0.00 O ATOM 1003 CB VAL A 65 5.102 10.612 0.380 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.269 10.692 -0.876 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.341 9.856 1.460 1.00 0.00 C ATOM 0 H VAL A 65 7.218 10.796 1.836 1.00 0.00 H new ATOM 0 HA VAL A 65 6.224 8.875 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 65 5.303 11.625 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.321 11.182 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.805 11.266 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.079 9.686 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.390 10.353 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.156 8.835 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.931 9.838 2.376 1.00 0.00 H new ATOM 1015 N LEU A 66 7.099 9.772 -2.207 1.00 0.00 N ATOM 1016 CA LEU A 66 7.669 10.217 -3.461 1.00 0.00 C ATOM 1017 C LEU A 66 6.720 11.170 -4.161 1.00 0.00 C ATOM 1018 O LEU A 66 7.143 12.139 -4.795 1.00 0.00 O ATOM 1019 CB LEU A 66 7.929 9.006 -4.341 1.00 0.00 C ATOM 1020 CG LEU A 66 9.379 8.846 -4.827 1.00 0.00 C ATOM 1021 CD1 LEU A 66 10.358 9.166 -3.710 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.623 7.429 -5.330 1.00 0.00 C ATOM 0 H LEU A 66 6.706 8.831 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 66 8.605 10.742 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.647 8.109 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.276 9.063 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 66 9.537 9.546 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.378 9.047 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.209 10.194 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.190 8.487 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.655 7.336 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.441 6.720 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.948 7.216 -6.159 1.00 0.00 H new ATOM 1034 N ALA A 67 5.440 10.851 -4.079 1.00 0.00 N ATOM 1035 CA ALA A 67 4.394 11.675 -4.638 1.00 0.00 C ATOM 1036 C ALA A 67 3.090 11.365 -3.939 1.00 0.00 C ATOM 1037 O ALA A 67 2.798 10.208 -3.668 1.00 0.00 O ATOM 1038 CB ALA A 67 4.260 11.439 -6.126 1.00 0.00 C ATOM 0 H ALA A 67 5.100 10.007 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 67 4.649 12.724 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.466 12.071 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.201 11.684 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.017 10.392 -6.308 1.00 0.00 H new ATOM 1044 N VAL A 68 2.308 12.369 -3.636 1.00 0.00 N ATOM 1045 CA VAL A 68 1.006 12.107 -3.071 1.00 0.00 C ATOM 1046 C VAL A 68 -0.035 13.041 -3.655 1.00 0.00 C ATOM 1047 O VAL A 68 0.123 14.264 -3.687 1.00 0.00 O ATOM 1048 CB VAL A 68 0.965 12.102 -1.518 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.754 13.488 -0.932 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.106 11.128 -1.050 1.00 0.00 C ATOM 0 H VAL A 68 2.540 13.354 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 68 0.763 11.084 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 68 1.938 11.774 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.734 13.424 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.569 14.142 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.193 13.894 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.140 11.120 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.075 11.438 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.129 10.127 -1.413 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.080 12.432 -4.155 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.125 13.113 -4.873 1.00 0.00 C ATOM 1062 C GLN A 69 -3.463 12.592 -4.431 1.00 0.00 C ATOM 1063 O GLN A 69 -3.653 11.373 -4.329 1.00 0.00 O ATOM 1064 CB GLN A 69 -1.944 12.870 -6.359 1.00 0.00 C ATOM 1065 CG GLN A 69 -0.844 13.710 -6.977 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.046 15.192 -6.727 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -2.175 15.677 -6.655 1.00 0.00 O ATOM 1068 NE2 GLN A 69 0.048 15.917 -6.575 1.00 0.00 N ATOM 0 H GLN A 69 -1.230 11.427 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.076 14.183 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.721 11.816 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.883 13.081 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.119 13.402 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.808 13.526 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.965 15.476 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.025 16.918 -6.390 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.412 13.505 -4.275 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.649 13.190 -3.601 1.00 0.00 C ATOM 1079 C ALA A 70 -6.385 12.150 -4.401 1.00 0.00 C ATOM 1080 O ALA A 70 -6.652 12.359 -5.583 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.515 14.424 -3.436 1.00 0.00 C ATOM 0 H ALA A 70 -4.342 14.467 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.422 12.809 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.439 14.154 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.979 15.169 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.750 14.837 -4.417 1.00 0.00 H new ATOM 1087 N PRO A 71 -6.771 11.059 -3.718 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.073 9.759 -4.280 1.00 0.00 C ATOM 1089 C PRO A 71 -7.047 9.683 -5.800 1.00 0.00 C ATOM 1090 O PRO A 71 -8.058 9.465 -6.466 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.427 9.540 -3.657 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.186 9.956 -2.242 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.094 11.016 -2.292 1.00 0.00 C ATOM 0 HA PRO A 71 -6.334 8.988 -4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.199 10.144 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.746 8.500 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.096 10.355 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.876 9.106 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.445 11.980 -1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.230 10.740 -1.687 1.00 0.00 H new ATOM 1101 N THR A 72 -5.848 9.891 -6.318 1.00 0.00 N ATOM 1102 CA THR A 72 -5.540 9.673 -7.708 1.00 0.00 C ATOM 1103 C THR A 72 -4.210 8.939 -7.816 1.00 0.00 C ATOM 1104 O THR A 72 -4.102 7.934 -8.518 1.00 0.00 O ATOM 1105 CB THR A 72 -5.476 11.001 -8.484 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.761 11.979 -7.717 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.872 11.517 -8.787 1.00 0.00 C ATOM 0 H THR A 72 -5.054 10.221 -5.770 1.00 0.00 H new ATOM 0 HA THR A 72 -6.334 9.071 -8.150 1.00 0.00 H new ATOM 0 HB THR A 72 -4.958 10.822 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.321 12.284 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.802 12.456 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.408 10.784 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.410 11.682 -7.853 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.201 9.434 -7.094 1.00 0.00 N ATOM 1116 CA GLU A 73 -1.889 8.793 -7.097 1.00 0.00 C ATOM 1117 C GLU A 73 -1.257 8.904 -5.722 1.00 0.00 C ATOM 1118 O GLU A 73 -1.237 9.970 -5.121 1.00 0.00 O ATOM 1119 CB GLU A 73 -0.981 9.433 -8.146 1.00 0.00 C ATOM 1120 CG GLU A 73 0.277 8.627 -8.432 1.00 0.00 C ATOM 1121 CD GLU A 73 1.079 9.204 -9.580 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.744 8.915 -10.749 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.048 9.945 -9.326 1.00 0.00 O ATOM 0 H GLU A 73 -3.268 10.266 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.016 7.740 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.541 9.558 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.696 10.430 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.898 8.597 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.002 7.598 -8.664 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.755 7.803 -5.228 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.035 7.790 -3.980 1.00 0.00 C ATOM 1132 C LEU A 74 1.241 7.024 -4.199 1.00 0.00 C ATOM 1133 O LEU A 74 1.190 5.900 -4.623 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.931 7.099 -2.941 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.389 6.913 -1.539 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.540 6.707 -0.586 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.537 5.731 -1.457 1.00 0.00 C ATOM 0 H LEU A 74 -0.833 6.891 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 74 0.212 8.791 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.856 7.670 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.194 6.115 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 74 0.175 7.806 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.156 6.572 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.195 7.578 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.103 5.821 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.906 5.628 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.001 4.827 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.378 5.880 -2.134 1.00 0.00 H new ATOM 1149 N SER A 75 2.371 7.613 -3.908 1.00 0.00 N ATOM 1150 CA SER A 75 3.631 6.886 -4.031 1.00 0.00 C ATOM 1151 C SER A 75 4.525 7.187 -2.854 1.00 0.00 C ATOM 1152 O SER A 75 4.835 8.345 -2.600 1.00 0.00 O ATOM 1153 CB SER A 75 4.359 7.286 -5.309 1.00 0.00 C ATOM 1154 OG SER A 75 3.626 6.931 -6.467 1.00 0.00 O ATOM 0 H SER A 75 2.457 8.578 -3.588 1.00 0.00 H new ATOM 0 HA SER A 75 3.401 5.821 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.534 8.362 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.336 6.804 -5.336 1.00 0.00 H new ATOM 0 HG SER A 75 4.124 7.205 -7.266 1.00 0.00 H new ATOM 1160 N PHE A 76 4.943 6.166 -2.149 1.00 0.00 N ATOM 1161 CA PHE A 76 5.842 6.352 -1.037 1.00 0.00 C ATOM 1162 C PHE A 76 6.652 5.114 -0.796 1.00 0.00 C ATOM 1163 O PHE A 76 6.222 4.014 -1.128 1.00 0.00 O ATOM 1164 CB PHE A 76 5.061 6.845 0.176 1.00 0.00 C ATOM 1165 CG PHE A 76 4.263 5.803 0.924 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.088 5.261 0.407 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.698 5.365 2.160 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.381 4.308 1.118 1.00 0.00 C ATOM 1169 CE2 PHE A 76 3.998 4.416 2.869 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.836 3.885 2.349 1.00 0.00 C ATOM 0 H PHE A 76 4.676 5.198 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 76 6.573 7.128 -1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.763 7.304 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.379 7.629 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.726 5.588 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.605 5.776 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.471 3.895 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.358 4.087 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.285 3.141 2.904 1.00 0.00 H new ATOM 1180 N GLU A 77 7.821 5.285 -0.218 1.00 0.00 N ATOM 1181 CA GLU A 77 8.712 4.168 -0.072 1.00 0.00 C ATOM 1182 C GLU A 77 8.973 3.917 1.391 1.00 0.00 C ATOM 1183 O GLU A 77 9.418 4.806 2.128 1.00 0.00 O ATOM 1184 CB GLU A 77 10.052 4.449 -0.761 1.00 0.00 C ATOM 1185 CG GLU A 77 9.963 5.073 -2.140 1.00 0.00 C ATOM 1186 CD GLU A 77 9.410 6.469 -2.101 1.00 0.00 C ATOM 1187 OE1 GLU A 77 10.078 7.342 -1.508 1.00 0.00 O ATOM 1188 OE2 GLU A 77 8.319 6.696 -2.642 1.00 0.00 O ATOM 0 H GLU A 77 8.167 6.171 0.150 1.00 0.00 H new ATOM 0 HA GLU A 77 8.244 3.297 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.638 5.109 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.602 3.512 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.954 5.090 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.332 4.453 -2.777 1.00 0.00 H new ATOM 1195 N TRP A 78 8.738 2.670 1.774 1.00 0.00 N ATOM 1196 CA TRP A 78 8.650 2.284 3.181 1.00 0.00 C ATOM 1197 C TRP A 78 10.011 2.053 3.814 1.00 0.00 C ATOM 1198 O TRP A 78 10.843 1.336 3.269 1.00 0.00 O ATOM 1199 CB TRP A 78 7.833 0.999 3.344 1.00 0.00 C ATOM 1200 CG TRP A 78 6.400 1.203 3.720 1.00 0.00 C ATOM 1201 CD1 TRP A 78 5.913 2.037 4.682 1.00 0.00 C ATOM 1202 CD2 TRP A 78 5.269 0.514 3.173 1.00 0.00 C ATOM 1203 NE1 TRP A 78 4.547 1.927 4.752 1.00 0.00 N ATOM 1204 CE2 TRP A 78 4.127 0.999 3.833 1.00 0.00 C ATOM 1205 CE3 TRP A 78 5.113 -0.456 2.180 1.00 0.00 C ATOM 1206 CZ2 TRP A 78 2.847 0.543 3.533 1.00 0.00 C ATOM 1207 CZ3 TRP A 78 3.841 -0.909 1.884 1.00 0.00 C ATOM 1208 CH2 TRP A 78 2.722 -0.408 2.558 1.00 0.00 C ATOM 0 H TRP A 78 8.603 1.897 1.122 1.00 0.00 H new ATOM 0 HA TRP A 78 8.164 3.119 3.686 1.00 0.00 H new ATOM 0 HB2 TRP A 78 7.871 0.441 2.408 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.308 0.379 4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.514 2.689 5.299 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.942 2.450 5.385 1.00 0.00 H new ATOM 0 HE3 TRP A 78 5.971 -0.845 1.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 1.982 0.927 4.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 3.709 -1.661 1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.740 -0.779 2.303 1.00 0.00 H new ATOM 1219 N ASP A 79 10.188 2.679 4.971 1.00 0.00 N ATOM 1220 CA ASP A 79 11.311 2.435 5.893 1.00 0.00 C ATOM 1221 C ASP A 79 12.627 2.064 5.209 1.00 0.00 C ATOM 1222 O ASP A 79 13.272 2.885 4.550 1.00 0.00 O ATOM 1223 CB ASP A 79 10.937 1.339 6.902 1.00 0.00 C ATOM 1224 CG ASP A 79 11.714 1.442 8.206 1.00 0.00 C ATOM 1225 OD1 ASP A 79 12.830 2.000 8.206 1.00 0.00 O ATOM 1226 OD2 ASP A 79 11.208 0.950 9.236 1.00 0.00 O ATOM 0 H ASP A 79 9.542 3.391 5.311 1.00 0.00 H new ATOM 0 HA ASP A 79 11.486 3.387 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.870 1.398 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.119 0.362 6.453 1.00 0.00 H new ATOM 1231 N THR A 80 12.987 0.806 5.362 1.00 0.00 N ATOM 1232 CA THR A 80 14.303 0.304 5.001 1.00 0.00 C ATOM 1233 C THR A 80 14.343 -0.225 3.576 1.00 0.00 C ATOM 1234 O THR A 80 15.365 -0.136 2.892 1.00 0.00 O ATOM 1235 CB THR A 80 14.727 -0.807 5.990 1.00 0.00 C ATOM 1236 OG1 THR A 80 15.959 -1.419 5.579 1.00 0.00 O ATOM 1237 CG2 THR A 80 13.628 -1.859 6.118 1.00 0.00 C ATOM 0 H THR A 80 12.368 0.092 5.745 1.00 0.00 H new ATOM 0 HA THR A 80 15.002 1.138 5.058 1.00 0.00 H new ATOM 0 HB THR A 80 14.884 -0.347 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.207 -2.117 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.944 -2.632 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.715 -1.389 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.438 -2.308 5.143 1.00 0.00 H new ATOM 1245 N GLU A 81 13.228 -0.757 3.137 1.00 0.00 N ATOM 1246 CA GLU A 81 13.116 -1.327 1.811 1.00 0.00 C ATOM 1247 C GLU A 81 12.871 -0.205 0.807 1.00 0.00 C ATOM 1248 O GLU A 81 12.348 0.847 1.160 1.00 0.00 O ATOM 1249 CB GLU A 81 11.980 -2.335 1.778 1.00 0.00 C ATOM 1250 CG GLU A 81 11.985 -3.278 2.964 1.00 0.00 C ATOM 1251 CD GLU A 81 11.084 -2.828 4.099 1.00 0.00 C ATOM 1252 OE1 GLU A 81 10.899 -1.602 4.273 1.00 0.00 O ATOM 1253 OE2 GLU A 81 10.567 -3.701 4.830 1.00 0.00 O ATOM 0 H GLU A 81 12.371 -0.808 3.687 1.00 0.00 H new ATOM 0 HA GLU A 81 14.039 -1.844 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.030 -1.801 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.046 -2.917 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.671 -4.268 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.005 -3.375 3.337 1.00 0.00 H new ATOM 1260 N GLY A 82 13.244 -0.412 -0.436 1.00 0.00 N ATOM 1261 CA GLY A 82 13.132 0.651 -1.407 1.00 0.00 C ATOM 1262 C GLY A 82 11.845 0.601 -2.205 1.00 0.00 C ATOM 1263 O GLY A 82 11.830 0.975 -3.378 1.00 0.00 O ATOM 0 H GLY A 82 13.621 -1.290 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.196 1.611 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.978 0.599 -2.092 1.00 0.00 H new ATOM 1267 N TRP A 83 10.754 0.145 -1.590 1.00 0.00 N ATOM 1268 CA TRP A 83 9.497 0.049 -2.325 1.00 0.00 C ATOM 1269 C TRP A 83 8.771 1.352 -2.342 1.00 0.00 C ATOM 1270 O TRP A 83 8.276 1.809 -1.315 1.00 0.00 O ATOM 1271 CB TRP A 83 8.510 -1.014 -1.806 1.00 0.00 C ATOM 1272 CG TRP A 83 8.611 -1.382 -0.348 1.00 0.00 C ATOM 1273 CD1 TRP A 83 9.185 -0.671 0.665 1.00 0.00 C ATOM 1274 CD2 TRP A 83 8.087 -2.574 0.253 1.00 0.00 C ATOM 1275 NE1 TRP A 83 9.084 -1.366 1.846 1.00 0.00 N ATOM 1276 CE2 TRP A 83 8.407 -2.533 1.621 1.00 0.00 C ATOM 1277 CE3 TRP A 83 7.386 -3.677 -0.240 1.00 0.00 C ATOM 1278 CZ2 TRP A 83 8.051 -3.554 2.503 1.00 0.00 C ATOM 1279 CZ3 TRP A 83 7.030 -4.685 0.637 1.00 0.00 C ATOM 1280 CH2 TRP A 83 7.364 -4.618 1.994 1.00 0.00 C ATOM 0 H TRP A 83 10.714 -0.155 -0.616 1.00 0.00 H new ATOM 0 HA TRP A 83 9.817 -0.251 -3.323 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.497 -0.659 -1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 83 8.647 -1.921 -2.395 1.00 0.00 H new ATOM 0 HD1 TRP A 83 9.651 0.297 0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.454 -1.061 2.746 1.00 0.00 H new ATOM 0 HE3 TRP A 83 7.127 -3.741 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 8.310 -3.504 3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 6.484 -5.540 0.267 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.073 -5.424 2.651 1.00 0.00 H new ATOM 1291 N VAL A 84 8.660 1.889 -3.537 1.00 0.00 N ATOM 1292 CA VAL A 84 7.774 2.993 -3.810 1.00 0.00 C ATOM 1293 C VAL A 84 6.393 2.428 -4.100 1.00 0.00 C ATOM 1294 O VAL A 84 5.966 2.264 -5.246 1.00 0.00 O ATOM 1295 CB VAL A 84 8.284 3.887 -4.968 1.00 0.00 C ATOM 1296 CG1 VAL A 84 8.529 3.105 -6.250 1.00 0.00 C ATOM 1297 CG2 VAL A 84 7.319 5.035 -5.221 1.00 0.00 C ATOM 0 H VAL A 84 9.186 1.568 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 84 7.733 3.646 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 84 9.247 4.290 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.885 3.782 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.278 2.335 -6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.599 2.638 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.694 5.652 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.340 4.636 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.230 5.641 -4.319 1.00 0.00 H new ATOM 1307 N VAL A 85 5.754 2.018 -3.035 1.00 0.00 N ATOM 1308 CA VAL A 85 4.440 1.456 -3.093 1.00 0.00 C ATOM 1309 C VAL A 85 3.426 2.544 -3.449 1.00 0.00 C ATOM 1310 O VAL A 85 3.293 3.551 -2.756 1.00 0.00 O ATOM 1311 CB VAL A 85 4.115 0.746 -1.761 1.00 0.00 C ATOM 1312 CG1 VAL A 85 4.946 -0.519 -1.642 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.404 1.642 -0.568 1.00 0.00 C ATOM 0 H VAL A 85 6.142 2.068 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 85 4.387 0.701 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 85 3.052 0.504 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.715 -1.019 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.715 -1.185 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.005 -0.262 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.164 1.110 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.459 1.915 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.796 2.544 -0.635 1.00 0.00 H new ATOM 1323 N THR A 86 2.733 2.335 -4.557 1.00 0.00 N ATOM 1324 CA THR A 86 1.917 3.369 -5.159 1.00 0.00 C ATOM 1325 C THR A 86 0.447 2.956 -5.244 1.00 0.00 C ATOM 1326 O THR A 86 0.121 1.827 -5.578 1.00 0.00 O ATOM 1327 CB THR A 86 2.449 3.713 -6.575 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.800 4.186 -6.475 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.586 4.772 -7.273 1.00 0.00 C ATOM 0 H THR A 86 2.722 1.448 -5.060 1.00 0.00 H new ATOM 0 HA THR A 86 1.980 4.250 -4.520 1.00 0.00 H new ATOM 0 HB THR A 86 2.408 2.804 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.818 5.156 -6.613 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.996 4.982 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.566 4.401 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.582 5.687 -6.680 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.444 3.870 -4.916 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.867 3.603 -5.013 1.00 0.00 C ATOM 1339 C PHE A 87 -2.477 4.513 -6.069 1.00 0.00 C ATOM 1340 O PHE A 87 -2.223 5.713 -6.078 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.543 3.804 -3.642 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.941 2.939 -2.559 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.408 1.702 -2.869 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.866 3.374 -1.244 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.809 0.917 -1.907 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.274 2.589 -0.273 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.735 1.358 -0.613 1.00 0.00 C ATOM 0 H PHE A 87 -0.209 4.804 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.027 2.567 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.461 4.851 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.606 3.580 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.462 1.343 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.275 4.337 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.398 -0.045 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.231 2.934 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.258 0.749 0.141 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.264 3.942 -6.966 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.914 4.719 -8.010 1.00 0.00 C ATOM 1359 C GLN A 88 -5.421 4.553 -7.943 1.00 0.00 C ATOM 1360 O GLN A 88 -5.949 3.444 -7.876 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.372 4.338 -9.386 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.166 5.161 -9.782 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.701 4.888 -11.202 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -1.853 3.780 -11.718 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -1.137 5.897 -11.846 1.00 0.00 N ATOM 0 H GLN A 88 -3.469 2.943 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.688 5.773 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.103 3.282 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.157 4.468 -10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.407 6.219 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.349 4.953 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.029 6.800 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.810 5.772 -12.804 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.097 5.676 -7.930 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.527 5.713 -7.678 1.00 0.00 C ATOM 1376 C LEU A 89 -8.318 6.352 -8.820 1.00 0.00 C ATOM 1377 O LEU A 89 -7.841 7.274 -9.482 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.812 6.407 -6.350 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.548 5.547 -5.321 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -8.892 6.374 -4.101 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.801 4.928 -5.921 1.00 0.00 C ATOM 0 H LEU A 89 -5.677 6.591 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.869 4.680 -7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.867 6.736 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.403 7.302 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.888 4.734 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.416 5.752 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.976 6.761 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.532 7.206 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.304 4.322 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.472 5.718 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.526 4.299 -6.768 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.518 5.835 -9.054 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.435 6.406 -10.026 1.00 0.00 C ATOM 1395 C GLU A 90 -11.595 7.044 -9.284 1.00 0.00 C ATOM 1396 O GLU A 90 -12.311 6.369 -8.536 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.945 5.286 -10.953 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.421 5.382 -11.370 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.884 4.141 -12.108 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -12.216 3.744 -13.084 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -13.912 3.551 -11.711 1.00 0.00 O ATOM 0 H GLU A 90 -9.880 5.010 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.932 7.163 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.332 5.279 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.789 4.329 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.039 5.529 -10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.562 6.256 -12.006 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.768 8.348 -9.495 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.824 9.096 -8.828 1.00 0.00 C ATOM 1410 C ASP A 91 -14.044 9.184 -9.691 1.00 0.00 C ATOM 1411 O ASP A 91 -14.051 9.837 -10.737 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.392 10.514 -8.451 1.00 0.00 C ATOM 1413 CG ASP A 91 -13.575 11.428 -8.186 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.408 11.102 -7.323 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.678 12.483 -8.849 1.00 0.00 O ATOM 0 H ASP A 91 -11.189 8.905 -10.123 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.048 8.548 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.761 10.475 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.786 10.932 -9.255 1.00 0.00 H new ATOM 1420 N LEU A 92 -15.058 8.499 -9.255 1.00 0.00 N ATOM 1421 CA LEU A 92 -16.362 8.622 -9.826 1.00 0.00 C ATOM 1422 C LEU A 92 -17.333 9.085 -8.743 1.00 0.00 C ATOM 1423 O LEU A 92 -17.160 8.757 -7.569 1.00 0.00 O ATOM 1424 CB LEU A 92 -16.774 7.263 -10.398 1.00 0.00 C ATOM 1425 CG LEU A 92 -15.879 6.669 -11.493 1.00 0.00 C ATOM 1426 CD1 LEU A 92 -16.564 5.492 -12.165 1.00 0.00 C ATOM 1427 CD2 LEU A 92 -15.495 7.715 -12.528 1.00 0.00 C ATOM 0 H LEU A 92 -15.001 7.833 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 92 -16.370 9.356 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.822 6.549 -9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.783 7.356 -10.799 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.965 6.318 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.913 5.085 -12.938 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.773 4.721 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.499 5.824 -12.616 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.861 7.259 -13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.396 8.111 -12.997 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.952 8.526 -12.042 1.00 0.00 H new ATOM 1439 N GLY A 93 -18.308 9.907 -9.132 1.00 0.00 N ATOM 1440 CA GLY A 93 -19.491 10.119 -8.290 1.00 0.00 C ATOM 1441 C GLY A 93 -20.193 8.791 -8.140 1.00 0.00 C ATOM 1442 O GLY A 93 -20.949 8.529 -7.202 1.00 0.00 O ATOM 0 H GLY A 93 -18.306 10.430 -10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -19.201 10.510 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -20.156 10.854 -8.743 1.00 0.00 H new ATOM 1446 N GLU A 94 -19.914 7.995 -9.148 1.00 0.00 N ATOM 1447 CA GLU A 94 -19.954 6.546 -9.137 1.00 0.00 C ATOM 1448 C GLU A 94 -19.025 6.028 -8.040 1.00 0.00 C ATOM 1449 O GLU A 94 -18.732 6.705 -7.057 1.00 0.00 O ATOM 1450 CB GLU A 94 -19.550 5.954 -10.484 1.00 0.00 C ATOM 1451 CG GLU A 94 -20.146 4.580 -10.741 1.00 0.00 C ATOM 1452 CD GLU A 94 -19.716 3.994 -12.065 1.00 0.00 C ATOM 1453 OE1 GLU A 94 -20.098 4.541 -13.116 1.00 0.00 O ATOM 1454 OE2 GLU A 94 -18.983 2.984 -12.056 1.00 0.00 O ATOM 0 H GLU A 94 -19.635 8.365 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 94 -20.980 6.235 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.862 6.632 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -18.463 5.885 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -19.851 3.905 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.233 4.650 -10.716 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.619 4.803 -8.181 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.838 4.122 -7.200 1.00 0.00 C ATOM 1463 C LYS A 95 -16.397 4.201 -7.671 1.00 0.00 C ATOM 1464 O LYS A 95 -16.125 4.825 -8.696 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.290 2.665 -7.170 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.294 2.004 -8.556 1.00 0.00 C ATOM 1467 CD LYS A 95 -16.956 1.371 -8.915 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.158 2.200 -9.930 1.00 0.00 C ATOM 1469 NZ LYS A 95 -16.623 2.013 -11.332 1.00 0.00 N ATOM 0 H LYS A 95 -18.828 4.237 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 95 -17.945 4.555 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.633 2.101 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.293 2.611 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.071 1.240 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.551 2.750 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.363 1.247 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.128 0.375 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.232 3.255 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.104 1.928 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.975 2.503 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.640 0.998 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.580 2.407 -11.436 1.00 0.00 H new ATOM 1483 N THR A 96 -15.469 3.619 -6.954 1.00 0.00 N ATOM 1484 CA THR A 96 -14.091 3.988 -7.119 1.00 0.00 C ATOM 1485 C THR A 96 -13.321 2.860 -7.757 1.00 0.00 C ATOM 1486 O THR A 96 -13.371 1.718 -7.314 1.00 0.00 O ATOM 1487 CB THR A 96 -13.480 4.319 -5.747 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.357 3.864 -4.718 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.244 5.811 -5.577 1.00 0.00 C ATOM 0 H THR A 96 -15.643 2.895 -6.257 1.00 0.00 H new ATOM 0 HA THR A 96 -14.034 4.863 -7.766 1.00 0.00 H new ATOM 0 HB THR A 96 -12.516 3.815 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.384 4.525 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.812 6.001 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.559 6.161 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.192 6.342 -5.665 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.608 3.177 -8.807 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.860 2.145 -9.486 1.00 0.00 C ATOM 1499 C GLY A 97 -10.449 2.118 -8.992 1.00 0.00 C ATOM 1500 O GLY A 97 -9.711 3.087 -9.139 1.00 0.00 O ATOM 0 H GLY A 97 -12.528 4.113 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.330 1.176 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.873 2.324 -10.561 1.00 0.00 H new ATOM 1504 N PHE A 98 -10.063 1.022 -8.383 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.793 1.002 -7.707 1.00 0.00 C ATOM 1506 C PHE A 98 -7.743 0.252 -8.498 1.00 0.00 C ATOM 1507 O PHE A 98 -7.932 -0.894 -8.908 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.879 0.415 -6.303 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.687 0.831 -5.491 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.605 2.123 -4.994 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.639 -0.037 -5.256 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.504 2.539 -4.275 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.537 0.374 -4.533 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.469 1.660 -4.042 1.00 0.00 C ATOM 0 H PHE A 98 -10.596 0.154 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.497 2.048 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.794 0.751 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.928 -0.672 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.416 2.814 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.682 -1.045 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.453 3.549 -3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.725 -0.315 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.606 1.978 -3.476 1.00 0.00 H new ATOM 1524 N THR A 99 -6.637 0.926 -8.714 1.00 0.00 N ATOM 1525 CA THR A 99 -5.483 0.328 -9.342 1.00 0.00 C ATOM 1526 C THR A 99 -4.302 0.474 -8.410 1.00 0.00 C ATOM 1527 O THR A 99 -3.872 1.581 -8.116 1.00 0.00 O ATOM 1528 CB THR A 99 -5.170 1.006 -10.688 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.364 1.081 -11.480 1.00 0.00 O ATOM 1530 CG2 THR A 99 -4.109 0.229 -11.448 1.00 0.00 C ATOM 0 H THR A 99 -6.513 1.906 -8.459 1.00 0.00 H new ATOM 0 HA THR A 99 -5.688 -0.724 -9.538 1.00 0.00 H new ATOM 0 HB THR A 99 -4.794 2.010 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.162 1.515 -12.335 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.903 0.726 -12.396 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.195 0.186 -10.855 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.466 -0.783 -11.639 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.776 -0.620 -7.925 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.698 -0.521 -6.986 1.00 0.00 C ATOM 1540 C LEU A 100 -1.386 -0.935 -7.599 1.00 0.00 C ATOM 1541 O LEU A 100 -1.310 -1.884 -8.371 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.989 -1.336 -5.737 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.184 -0.903 -4.517 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.925 -1.246 -3.250 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.804 -1.529 -4.512 1.00 0.00 C ATOM 0 H LEU A 100 -4.070 -1.568 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.611 0.527 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.051 -1.261 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.782 -2.386 -5.943 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.057 0.178 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.337 -0.931 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.887 -0.733 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.088 -2.323 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.258 -1.199 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.897 -2.615 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.263 -1.224 -5.408 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.358 -0.202 -7.236 1.00 0.00 N ATOM 1558 CA ILE A 101 0.979 -0.458 -7.697 1.00 0.00 C ATOM 1559 C ILE A 101 1.876 -0.730 -6.492 1.00 0.00 C ATOM 1560 O ILE A 101 1.923 0.048 -5.556 1.00 0.00 O ATOM 1561 CB ILE A 101 1.568 0.770 -8.448 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.531 1.438 -9.387 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.821 0.369 -9.226 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.436 2.366 -8.684 1.00 0.00 C ATOM 0 H ILE A 101 -0.432 0.596 -6.605 1.00 0.00 H new ATOM 0 HA ILE A 101 0.940 -1.311 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 101 1.839 1.510 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.062 2.000 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.036 0.659 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.221 1.240 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.570 -0.017 -8.535 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.567 -0.402 -9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.127 2.791 -9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.997 1.807 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.118 3.169 -8.198 1.00 0.00 H new ATOM 1576 N HIS A 102 2.564 -1.831 -6.481 1.00 0.00 N ATOM 1577 CA HIS A 102 3.640 -2.001 -5.534 1.00 0.00 C ATOM 1578 C HIS A 102 4.899 -2.174 -6.339 1.00 0.00 C ATOM 1579 O HIS A 102 5.087 -3.173 -7.022 1.00 0.00 O ATOM 1580 CB HIS A 102 3.379 -3.193 -4.611 1.00 0.00 C ATOM 1581 CG HIS A 102 2.727 -2.822 -3.303 1.00 0.00 C ATOM 1582 ND1 HIS A 102 2.859 -3.596 -2.169 1.00 0.00 N ATOM 1583 CD2 HIS A 102 1.963 -1.749 -2.932 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.224 -3.023 -1.165 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.675 -1.904 -1.600 1.00 0.00 N ATOM 0 H HIS A 102 2.408 -2.621 -7.107 1.00 0.00 H new ATOM 0 HA HIS A 102 3.728 -1.135 -4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.745 -3.911 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.325 -3.694 -4.405 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.370 -4.477 -2.115 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.647 -0.935 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.163 -3.405 -0.157 1.00 0.00 H new ATOM 1594 N SER A 103 5.725 -1.168 -6.268 1.00 0.00 N ATOM 1595 CA SER A 103 6.929 -1.081 -7.052 1.00 0.00 C ATOM 1596 C SER A 103 7.964 -0.370 -6.219 1.00 0.00 C ATOM 1597 O SER A 103 7.606 0.236 -5.221 1.00 0.00 O ATOM 1598 CB SER A 103 6.640 -0.303 -8.332 1.00 0.00 C ATOM 1599 OG SER A 103 5.699 -0.991 -9.134 1.00 0.00 O ATOM 0 H SER A 103 5.579 -0.369 -5.652 1.00 0.00 H new ATOM 0 HA SER A 103 7.293 -2.070 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.258 0.687 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.564 -0.157 -8.891 1.00 0.00 H new ATOM 0 HG SER A 103 5.633 -0.554 -10.008 1.00 0.00 H new ATOM 1605 N GLY A 104 9.217 -0.453 -6.598 1.00 0.00 N ATOM 1606 CA GLY A 104 10.248 0.328 -5.936 1.00 0.00 C ATOM 1607 C GLY A 104 11.554 0.252 -6.686 1.00 0.00 C ATOM 1608 O GLY A 104 11.638 -0.454 -7.690 1.00 0.00 O ATOM 0 H GLY A 104 9.551 -1.048 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.929 1.367 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.388 -0.037 -4.919 1.00 0.00 H new ATOM 1612 N TRP A 105 12.567 0.974 -6.227 1.00 0.00 N ATOM 1613 CA TRP A 105 13.834 1.010 -6.954 1.00 0.00 C ATOM 1614 C TRP A 105 14.609 -0.293 -6.753 1.00 0.00 C ATOM 1615 O TRP A 105 14.518 -0.932 -5.703 1.00 0.00 O ATOM 1616 CB TRP A 105 14.682 2.224 -6.546 1.00 0.00 C ATOM 1617 CG TRP A 105 14.991 2.319 -5.080 1.00 0.00 C ATOM 1618 CD1 TRP A 105 14.269 2.990 -4.134 1.00 0.00 C ATOM 1619 CD2 TRP A 105 16.112 1.743 -4.392 1.00 0.00 C ATOM 1620 NE1 TRP A 105 14.867 2.862 -2.906 1.00 0.00 N ATOM 1621 CE2 TRP A 105 15.998 2.102 -3.036 1.00 0.00 C ATOM 1622 CE3 TRP A 105 17.198 0.957 -4.791 1.00 0.00 C ATOM 1623 CZ2 TRP A 105 16.927 1.704 -2.079 1.00 0.00 C ATOM 1624 CZ3 TRP A 105 18.120 0.563 -3.839 1.00 0.00 C ATOM 1625 CH2 TRP A 105 17.979 0.937 -2.497 1.00 0.00 C ATOM 0 H TRP A 105 12.542 1.532 -5.374 1.00 0.00 H new ATOM 0 HA TRP A 105 13.607 1.112 -8.015 1.00 0.00 H new ATOM 0 HB2 TRP A 105 15.621 2.194 -7.099 1.00 0.00 H new ATOM 0 HB3 TRP A 105 14.161 3.131 -6.852 1.00 0.00 H new ATOM 0 HD1 TRP A 105 13.360 3.541 -4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 105 14.524 3.268 -2.036 1.00 0.00 H new ATOM 0 HE3 TRP A 105 17.314 0.663 -5.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 16.821 1.991 -1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 18.963 -0.043 -4.135 1.00 0.00 H new ATOM 0 HH2 TRP A 105 18.716 0.613 -1.777 1.00 0.00 H new ATOM 1636 N LYS A 106 15.358 -0.681 -7.781 1.00 0.00 N ATOM 1637 CA LYS A 106 15.950 -2.015 -7.857 1.00 0.00 C ATOM 1638 C LYS A 106 17.472 -1.921 -7.952 1.00 0.00 C ATOM 1639 O LYS A 106 18.014 -0.844 -8.205 1.00 0.00 O ATOM 1640 CB LYS A 106 15.444 -2.772 -9.104 1.00 0.00 C ATOM 1641 CG LYS A 106 13.949 -2.658 -9.409 1.00 0.00 C ATOM 1642 CD LYS A 106 13.590 -1.293 -9.988 1.00 0.00 C ATOM 1643 CE LYS A 106 12.229 -1.293 -10.663 1.00 0.00 C ATOM 1644 NZ LYS A 106 12.296 -1.852 -12.038 1.00 0.00 N ATOM 0 H LYS A 106 15.571 -0.085 -8.581 1.00 0.00 H new ATOM 0 HA LYS A 106 15.659 -2.550 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 106 15.998 -2.411 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.689 -3.827 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.662 -3.438 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.378 -2.827 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.598 -0.549 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.351 -0.995 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.527 -1.877 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.843 -0.274 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.355 -1.804 -12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.972 -1.301 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.608 -2.843 -11.995 1.00 0.00 H new ATOM 1658 N GLU A 107 18.154 -3.054 -7.769 1.00 0.00 N ATOM 1659 CA GLU A 107 19.597 -3.127 -8.003 1.00 0.00 C ATOM 1660 C GLU A 107 20.080 -4.591 -8.021 1.00 0.00 C ATOM 1661 O GLU A 107 20.621 -5.041 -9.031 1.00 0.00 O ATOM 1662 CB GLU A 107 20.375 -2.302 -6.965 1.00 0.00 C ATOM 1663 CG GLU A 107 21.564 -1.548 -7.546 1.00 0.00 C ATOM 1664 CD GLU A 107 22.575 -2.454 -8.220 1.00 0.00 C ATOM 1665 OE1 GLU A 107 23.464 -2.980 -7.520 1.00 0.00 O ATOM 1666 OE2 GLU A 107 22.496 -2.639 -9.453 1.00 0.00 O ATOM 0 H GLU A 107 17.732 -3.930 -7.461 1.00 0.00 H new ATOM 0 HA GLU A 107 19.795 -2.695 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.696 -1.588 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 107 20.728 -2.967 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 107 21.204 -0.816 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 107 22.058 -0.993 -6.749 1.00 0.00 H new ATOM 1673 N PRO A 108 19.911 -5.360 -6.923 1.00 0.00 N ATOM 1674 CA PRO A 108 20.308 -6.765 -6.872 1.00 0.00 C ATOM 1675 C PRO A 108 19.127 -7.722 -7.053 1.00 0.00 C ATOM 1676 O PRO A 108 17.973 -7.301 -6.997 1.00 0.00 O ATOM 1677 CB PRO A 108 20.857 -6.867 -5.451 1.00 0.00 C ATOM 1678 CG PRO A 108 20.064 -5.876 -4.645 1.00 0.00 C ATOM 1679 CD PRO A 108 19.372 -4.944 -5.618 1.00 0.00 C ATOM 0 HA PRO A 108 21.004 -7.040 -7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.741 -7.877 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.921 -6.634 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.333 -6.389 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.718 -5.315 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.288 -5.052 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.597 -3.899 -5.404 1.00 0.00 H new ATOM 1687 N ASN A 109 19.426 -9.011 -7.260 1.00 0.00 N ATOM 1688 CA ASN A 109 18.397 -10.067 -7.313 1.00 0.00 C ATOM 1689 C ASN A 109 17.879 -10.366 -5.905 1.00 0.00 C ATOM 1690 O ASN A 109 17.772 -11.515 -5.476 1.00 0.00 O ATOM 1691 CB ASN A 109 18.954 -11.351 -7.954 1.00 0.00 C ATOM 1692 CG ASN A 109 20.195 -11.890 -7.253 1.00 0.00 C ATOM 1693 OD1 ASN A 109 20.104 -12.646 -6.284 1.00 0.00 O ATOM 1694 ND2 ASN A 109 21.365 -11.534 -7.758 1.00 0.00 N ATOM 0 H ASN A 109 20.378 -9.353 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 109 17.573 -9.708 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 109 18.179 -12.118 -7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 109 19.194 -11.152 -8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 109 22.228 -11.887 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 109 21.404 -10.906 -8.561 1.00 0.00 H new ATOM 1701 N GLN A 110 17.524 -9.306 -5.218 1.00 0.00 N ATOM 1702 CA GLN A 110 17.272 -9.324 -3.797 1.00 0.00 C ATOM 1703 C GLN A 110 16.068 -8.461 -3.490 1.00 0.00 C ATOM 1704 O GLN A 110 15.682 -7.627 -4.308 1.00 0.00 O ATOM 1705 CB GLN A 110 18.484 -8.829 -3.021 1.00 0.00 C ATOM 1706 CG GLN A 110 18.390 -9.127 -1.536 1.00 0.00 C ATOM 1707 CD GLN A 110 19.614 -8.678 -0.761 1.00 0.00 C ATOM 1708 OE1 GLN A 110 20.247 -7.607 -1.214 1.00 0.00 O flip ATOM 1709 NE2 GLN A 110 19.984 -9.284 0.243 1.00 0.00 N flip ATOM 0 H GLN A 110 17.400 -8.386 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 110 17.074 -10.351 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 110 19.383 -9.294 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.589 -7.754 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.508 -8.634 -1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.251 -10.199 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.470 -10.106 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.805 -8.965 0.758 1.00 0.00 H new ATOM 1718 N VAL A 111 15.478 -8.638 -2.319 1.00 0.00 N ATOM 1719 CA VAL A 111 14.240 -7.972 -2.012 1.00 0.00 C ATOM 1720 C VAL A 111 14.505 -6.526 -1.668 1.00 0.00 C ATOM 1721 O VAL A 111 15.644 -6.078 -1.566 1.00 0.00 O ATOM 1722 CB VAL A 111 13.567 -8.611 -0.773 1.00 0.00 C ATOM 1723 CG1 VAL A 111 14.103 -8.007 0.529 1.00 0.00 C ATOM 1724 CG2 VAL A 111 12.064 -8.470 -0.835 1.00 0.00 C ATOM 0 H VAL A 111 15.840 -9.235 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 111 13.595 -8.060 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 111 13.815 -9.672 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.609 -8.478 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 111 15.178 -8.177 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 111 13.904 -6.935 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.619 -8.928 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.799 -7.413 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.689 -8.967 -1.730 1.00 0.00 H new ATOM 1734 N ILE A 112 13.405 -5.831 -1.499 1.00 0.00 N ATOM 1735 CA ILE A 112 13.366 -4.390 -1.430 1.00 0.00 C ATOM 1736 C ILE A 112 14.322 -3.822 -0.383 1.00 0.00 C ATOM 1737 O ILE A 112 14.836 -2.719 -0.548 1.00 0.00 O ATOM 1738 CB ILE A 112 11.945 -3.924 -1.099 1.00 0.00 C ATOM 1739 CG1 ILE A 112 10.913 -4.999 -1.429 1.00 0.00 C ATOM 1740 CG2 ILE A 112 11.639 -2.683 -1.889 1.00 0.00 C ATOM 1741 CD1 ILE A 112 10.713 -5.232 -2.909 1.00 0.00 C ATOM 0 H ILE A 112 12.487 -6.265 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 112 13.680 -4.021 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 112 11.891 -3.720 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.219 -5.936 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.958 -4.719 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.629 -2.345 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.352 -1.901 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.714 -2.902 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.964 -6.010 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.375 -4.309 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.655 -5.545 -3.359 1.00 0.00 H new ATOM 1753 N GLY A 113 14.536 -4.574 0.687 1.00 0.00 N ATOM 1754 CA GLY A 113 15.426 -4.144 1.748 1.00 0.00 C ATOM 1755 C GLY A 113 15.078 -4.821 3.054 1.00 0.00 C ATOM 1756 O GLY A 113 14.756 -4.154 4.036 1.00 0.00 O ATOM 0 H GLY A 113 14.104 -5.485 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 113 16.457 -4.374 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.361 -3.062 1.866 1.00 0.00 H new ATOM 1760 N LYS A 114 15.152 -6.153 3.050 1.00 0.00 N ATOM 1761 CA LYS A 114 14.684 -6.982 4.164 1.00 0.00 C ATOM 1762 C LYS A 114 13.163 -6.893 4.302 1.00 0.00 C ATOM 1763 O LYS A 114 12.616 -7.024 5.395 1.00 0.00 O ATOM 1764 CB LYS A 114 15.372 -6.591 5.476 1.00 0.00 C ATOM 1765 CG LYS A 114 16.877 -6.807 5.459 1.00 0.00 C ATOM 1766 CD LYS A 114 17.524 -6.337 6.751 1.00 0.00 C ATOM 1767 CE LYS A 114 16.960 -7.072 7.953 1.00 0.00 C ATOM 1768 NZ LYS A 114 17.511 -6.552 9.230 1.00 0.00 N ATOM 0 H LYS A 114 15.539 -6.689 2.273 1.00 0.00 H new ATOM 0 HA LYS A 114 14.950 -8.016 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 114 15.166 -5.542 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 114 14.939 -7.171 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 114 17.092 -7.865 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 114 17.313 -6.270 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 114 18.601 -6.495 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 114 17.365 -5.265 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 114 15.874 -6.976 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 114 17.185 -8.135 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 17.100 -7.081 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 18.545 -6.667 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 17.274 -5.544 9.325 1.00 0.00 H new ATOM 1782 N ALA A 115 12.493 -6.695 3.168 1.00 0.00 N ATOM 1783 CA ALA A 115 11.033 -6.584 3.119 1.00 0.00 C ATOM 1784 C ALA A 115 10.363 -7.917 3.442 1.00 0.00 C ATOM 1785 O ALA A 115 9.214 -7.956 3.880 1.00 0.00 O ATOM 1786 CB ALA A 115 10.600 -6.109 1.742 1.00 0.00 C ATOM 0 H ALA A 115 12.945 -6.607 2.258 1.00 0.00 H new ATOM 0 HA ALA A 115 10.723 -5.859 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.513 -6.028 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 115 11.043 -5.134 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.933 -6.824 0.989 1.00 0.00 H new ATOM 1792 N ASN A 116 11.087 -9.004 3.207 1.00 0.00 N ATOM 1793 CA ASN A 116 10.582 -10.349 3.459 1.00 0.00 C ATOM 1794 C ASN A 116 11.713 -11.346 3.281 1.00 0.00 C ATOM 1795 O ASN A 116 12.168 -11.970 4.236 1.00 0.00 O ATOM 1796 CB ASN A 116 9.437 -10.706 2.499 1.00 0.00 C ATOM 1797 CG ASN A 116 8.691 -11.964 2.917 1.00 0.00 C ATOM 1798 OD1 ASN A 116 7.660 -11.892 3.581 1.00 0.00 O ATOM 1799 ND2 ASN A 116 9.206 -13.124 2.535 1.00 0.00 N ATOM 0 H ASN A 116 12.037 -8.979 2.838 1.00 0.00 H new ATOM 0 HA ASN A 116 10.197 -10.386 4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 116 8.736 -9.872 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 116 9.839 -10.844 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 116 8.744 -13.996 2.792 1.00 0.00 H new ATOM 0 HD22 ASN A 116 10.064 -13.144 1.984 1.00 0.00 H new ATOM 1806 N GLU A 117 12.160 -11.474 2.038 1.00 0.00 N ATOM 1807 CA GLU A 117 13.272 -12.346 1.688 1.00 0.00 C ATOM 1808 C GLU A 117 13.680 -12.050 0.252 1.00 0.00 C ATOM 1809 O GLU A 117 14.639 -11.325 0.003 1.00 0.00 O ATOM 1810 CB GLU A 117 12.874 -13.825 1.853 1.00 0.00 C ATOM 1811 CG GLU A 117 14.045 -14.785 2.061 1.00 0.00 C ATOM 1812 CD GLU A 117 14.829 -15.077 0.794 1.00 0.00 C ATOM 1813 OE1 GLU A 117 15.731 -14.293 0.451 1.00 0.00 O ATOM 1814 OE2 GLU A 117 14.549 -16.108 0.143 1.00 0.00 O ATOM 0 H GLU A 117 11.760 -10.975 1.243 1.00 0.00 H new ATOM 0 HA GLU A 117 14.115 -12.160 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.196 -13.912 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.319 -14.138 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.720 -14.364 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.666 -15.723 2.467 1.00 0.00 H new ATOM 1821 N LYS A 118 12.923 -12.589 -0.691 1.00 0.00 N ATOM 1822 CA LYS A 118 13.171 -12.344 -2.103 1.00 0.00 C ATOM 1823 C LYS A 118 12.363 -11.179 -2.625 1.00 0.00 C ATOM 1824 O LYS A 118 11.231 -10.947 -2.205 1.00 0.00 O ATOM 1825 CB LYS A 118 12.806 -13.554 -2.942 1.00 0.00 C ATOM 1826 CG LYS A 118 13.438 -14.832 -2.464 1.00 0.00 C ATOM 1827 CD LYS A 118 13.190 -15.988 -3.419 1.00 0.00 C ATOM 1828 CE LYS A 118 13.730 -17.292 -2.856 1.00 0.00 C ATOM 1829 NZ LYS A 118 15.112 -17.136 -2.327 1.00 0.00 N ATOM 0 H LYS A 118 12.129 -13.201 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 118 14.236 -12.125 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.722 -13.672 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.107 -13.374 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.511 -14.683 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.043 -15.085 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 118 12.121 -16.085 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 118 13.664 -15.779 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.074 -17.643 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.723 -18.055 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 15.614 -18.044 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.618 -16.418 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 15.071 -16.837 -1.332 1.00 0.00 H new ATOM 1843 N SER A 119 12.942 -10.477 -3.569 1.00 0.00 N ATOM 1844 CA SER A 119 12.210 -9.513 -4.365 1.00 0.00 C ATOM 1845 C SER A 119 11.047 -10.207 -5.086 1.00 0.00 C ATOM 1846 O SER A 119 9.964 -9.646 -5.259 1.00 0.00 O ATOM 1847 CB SER A 119 13.179 -8.910 -5.370 1.00 0.00 C ATOM 1848 OG SER A 119 13.991 -9.929 -5.931 1.00 0.00 O ATOM 0 H SER A 119 13.930 -10.555 -3.809 1.00 0.00 H new ATOM 0 HA SER A 119 11.792 -8.729 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.627 -8.398 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.804 -8.163 -4.882 1.00 0.00 H new ATOM 0 HG SER A 119 14.458 -9.579 -6.718 1.00 0.00 H new ATOM 1854 N SER A 120 11.288 -11.430 -5.527 1.00 0.00 N ATOM 1855 CA SER A 120 10.251 -12.214 -6.171 1.00 0.00 C ATOM 1856 C SER A 120 9.170 -12.646 -5.174 1.00 0.00 C ATOM 1857 O SER A 120 7.992 -12.699 -5.517 1.00 0.00 O ATOM 1858 CB SER A 120 10.847 -13.434 -6.873 1.00 0.00 C ATOM 1859 OG SER A 120 9.892 -14.032 -7.733 1.00 0.00 O ATOM 0 H SER A 120 12.190 -11.899 -5.451 1.00 0.00 H new ATOM 0 HA SER A 120 9.780 -11.578 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.725 -13.137 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 120 11.181 -14.160 -6.131 1.00 0.00 H new ATOM 0 HG SER A 120 9.191 -14.459 -7.197 1.00 0.00 H new ATOM 1865 N VAL A 121 9.556 -12.953 -3.939 1.00 0.00 N ATOM 1866 CA VAL A 121 8.573 -13.411 -2.964 1.00 0.00 C ATOM 1867 C VAL A 121 7.686 -12.253 -2.554 1.00 0.00 C ATOM 1868 O VAL A 121 6.491 -12.430 -2.373 1.00 0.00 O ATOM 1869 CB VAL A 121 9.163 -14.104 -1.696 1.00 0.00 C ATOM 1870 CG1 VAL A 121 10.121 -15.236 -2.055 1.00 0.00 C ATOM 1871 CG2 VAL A 121 9.824 -13.108 -0.760 1.00 0.00 C ATOM 0 H VAL A 121 10.515 -12.896 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 121 8.001 -14.188 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 121 8.319 -14.545 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.507 -15.689 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.592 -15.989 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.950 -14.839 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.221 -13.633 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.637 -12.603 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.089 -12.372 -0.435 1.00 0.00 H new ATOM 1881 N VAL A 122 8.269 -11.058 -2.440 1.00 0.00 N ATOM 1882 CA VAL A 122 7.517 -9.897 -1.999 1.00 0.00 C ATOM 1883 C VAL A 122 6.466 -9.499 -3.032 1.00 0.00 C ATOM 1884 O VAL A 122 5.324 -9.177 -2.688 1.00 0.00 O ATOM 1885 CB VAL A 122 8.442 -8.713 -1.684 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.195 -8.276 -2.915 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.652 -7.563 -1.087 1.00 0.00 C ATOM 0 H VAL A 122 9.251 -10.876 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 122 7.004 -10.173 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 122 9.175 -9.038 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.843 -7.436 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.800 -9.104 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.487 -7.972 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.325 -6.733 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.891 -7.238 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.172 -7.891 -0.165 1.00 0.00 H new ATOM 1897 N ARG A 123 6.841 -9.539 -4.301 1.00 0.00 N ATOM 1898 CA ARG A 123 5.886 -9.279 -5.361 1.00 0.00 C ATOM 1899 C ARG A 123 4.824 -10.378 -5.361 1.00 0.00 C ATOM 1900 O ARG A 123 3.664 -10.141 -5.686 1.00 0.00 O ATOM 1901 CB ARG A 123 6.586 -9.185 -6.719 1.00 0.00 C ATOM 1902 CG ARG A 123 7.243 -10.481 -7.151 1.00 0.00 C ATOM 1903 CD ARG A 123 7.663 -10.468 -8.606 1.00 0.00 C ATOM 1904 NE ARG A 123 8.299 -11.733 -8.982 1.00 0.00 N ATOM 1905 CZ ARG A 123 8.107 -12.355 -10.142 1.00 0.00 C ATOM 1906 NH1 ARG A 123 7.262 -11.864 -11.036 1.00 0.00 N ATOM 1907 NH2 ARG A 123 8.743 -13.491 -10.393 1.00 0.00 N ATOM 0 H ARG A 123 7.788 -9.746 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 123 5.403 -8.318 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.859 -8.886 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.341 -8.400 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.117 -10.666 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.552 -11.307 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.792 -10.293 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.354 -9.644 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 123 8.932 -12.166 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.753 -11.003 -10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.120 -12.347 -11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.377 -13.885 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.598 -13.971 -11.281 1.00 0.00 H new ATOM 1921 N GLY A 124 5.236 -11.571 -4.941 1.00 0.00 N ATOM 1922 CA GLY A 124 4.319 -12.693 -4.828 1.00 0.00 C ATOM 1923 C GLY A 124 3.347 -12.518 -3.675 1.00 0.00 C ATOM 1924 O GLY A 124 2.192 -12.959 -3.747 1.00 0.00 O ATOM 0 H GLY A 124 6.198 -11.782 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.762 -12.801 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.887 -13.613 -4.687 1.00 0.00 H new ATOM 1928 N LYS A 125 3.803 -11.829 -2.630 1.00 0.00 N ATOM 1929 CA LYS A 125 2.968 -11.523 -1.482 1.00 0.00 C ATOM 1930 C LYS A 125 1.791 -10.718 -1.942 1.00 0.00 C ATOM 1931 O LYS A 125 0.648 -10.943 -1.548 1.00 0.00 O ATOM 1932 CB LYS A 125 3.746 -10.667 -0.496 1.00 0.00 C ATOM 1933 CG LYS A 125 5.090 -11.248 -0.128 1.00 0.00 C ATOM 1934 CD LYS A 125 5.815 -10.397 0.909 1.00 0.00 C ATOM 1935 CE LYS A 125 4.994 -10.221 2.180 1.00 0.00 C ATOM 1936 NZ LYS A 125 4.888 -11.479 2.966 1.00 0.00 N ATOM 0 H LYS A 125 4.756 -11.472 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 125 2.653 -12.455 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.892 -9.675 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.153 -10.539 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.955 -12.257 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.706 -11.332 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.770 -10.862 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.038 -9.419 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.448 -9.447 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.994 -9.874 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.292 -11.316 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.461 -12.222 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.836 -11.780 3.269 1.00 0.00 H new ATOM 1950 N MET A 126 2.100 -9.789 -2.811 1.00 0.00 N ATOM 1951 CA MET A 126 1.103 -8.914 -3.358 1.00 0.00 C ATOM 1952 C MET A 126 0.324 -9.639 -4.437 1.00 0.00 C ATOM 1953 O MET A 126 -0.853 -9.366 -4.670 1.00 0.00 O ATOM 1954 CB MET A 126 1.775 -7.673 -3.936 1.00 0.00 C ATOM 1955 CG MET A 126 2.948 -7.190 -3.101 1.00 0.00 C ATOM 1956 SD MET A 126 2.474 -6.728 -1.423 1.00 0.00 S ATOM 1957 CE MET A 126 4.078 -6.562 -0.648 1.00 0.00 C ATOM 0 H MET A 126 3.045 -9.621 -3.156 1.00 0.00 H new ATOM 0 HA MET A 126 0.414 -8.610 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.121 -7.891 -4.946 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.040 -6.873 -4.017 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.703 -7.975 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.408 -6.333 -3.592 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.028 -5.803 0.133 1.00 0.00 H new ATOM 0 HE2 MET A 126 4.371 -7.516 -0.209 1.00 0.00 H new ATOM 0 HE3 MET A 126 4.814 -6.265 -1.395 1.00 0.00 H new ATOM 1967 N ASP A 127 0.953 -10.628 -5.038 1.00 0.00 N ATOM 1968 CA ASP A 127 0.399 -11.223 -6.239 1.00 0.00 C ATOM 1969 C ASP A 127 -0.738 -12.178 -5.897 1.00 0.00 C ATOM 1970 O ASP A 127 -1.525 -12.565 -6.763 1.00 0.00 O ATOM 1971 CB ASP A 127 1.494 -11.946 -7.018 1.00 0.00 C ATOM 1972 CG ASP A 127 1.080 -12.229 -8.446 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.370 -11.388 -9.036 1.00 0.00 O ATOM 1974 OD2 ASP A 127 1.468 -13.286 -8.985 1.00 0.00 O ATOM 0 H ASP A 127 1.834 -11.033 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.008 -10.428 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.400 -11.341 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.736 -12.884 -6.518 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.845 -12.525 -4.625 1.00 0.00 N ATOM 1980 CA GLY A 128 -2.025 -13.238 -4.155 1.00 0.00 C ATOM 1981 C GLY A 128 -2.697 -12.546 -2.976 1.00 0.00 C ATOM 1982 O GLY A 128 -3.904 -12.218 -3.006 1.00 0.00 O ATOM 0 H GLY A 128 -0.144 -12.330 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.739 -13.329 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.742 -14.250 -3.864 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.908 -12.287 -1.947 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.448 -11.765 -0.719 1.00 0.00 C ATOM 1988 C GLY A 129 -2.951 -10.353 -0.866 1.00 0.00 C ATOM 1989 O GLY A 129 -3.877 -9.949 -0.170 1.00 0.00 O ATOM 0 H GLY A 129 -0.898 -12.431 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.264 -12.405 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.680 -11.795 0.054 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.378 -9.608 -1.803 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.675 -8.197 -1.906 1.00 0.00 C ATOM 1995 C TRP A 130 -4.066 -7.969 -2.469 1.00 0.00 C ATOM 1996 O TRP A 130 -4.683 -6.980 -2.150 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.654 -7.517 -2.779 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.565 -6.055 -2.630 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -1.612 -5.175 -3.651 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.393 -5.289 -1.429 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -1.502 -3.916 -3.176 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -1.363 -3.945 -1.824 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.270 -5.590 -0.068 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -1.212 -2.899 -0.928 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.118 -4.545 0.829 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -1.090 -3.212 0.389 1.00 0.00 C ATOM 0 H TRP A 130 -1.713 -9.958 -2.493 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.638 -7.770 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.675 -7.947 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -1.882 -7.745 -3.820 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -1.721 -5.438 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -1.520 -3.070 -3.746 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.293 -6.614 0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -1.192 -1.873 -1.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -1.020 -4.759 1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.969 -2.419 1.112 1.00 0.00 H new ATOM 2017 N THR A 131 -4.568 -8.854 -3.319 1.00 0.00 N ATOM 2018 CA THR A 131 -5.952 -8.733 -3.726 1.00 0.00 C ATOM 2019 C THR A 131 -6.865 -9.079 -2.564 1.00 0.00 C ATOM 2020 O THR A 131 -7.869 -8.434 -2.353 1.00 0.00 O ATOM 2021 CB THR A 131 -6.311 -9.579 -4.956 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.544 -10.792 -4.971 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.066 -8.793 -6.235 1.00 0.00 C ATOM 0 H THR A 131 -4.055 -9.636 -3.726 1.00 0.00 H new ATOM 0 HA THR A 131 -6.097 -7.694 -4.022 1.00 0.00 H new ATOM 0 HB THR A 131 -7.370 -9.833 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.785 -11.322 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.326 -9.409 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.682 -7.894 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.014 -8.513 -6.294 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.525 -10.076 -1.788 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.243 -10.252 -0.548 1.00 0.00 C ATOM 2033 C GLY A 132 -7.303 -8.949 0.235 1.00 0.00 C ATOM 2034 O GLY A 132 -8.379 -8.471 0.594 1.00 0.00 O ATOM 0 H GLY A 132 -5.787 -10.754 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.254 -10.603 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.756 -11.020 0.053 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.157 -8.319 0.412 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.081 -7.119 1.222 1.00 0.00 C ATOM 2040 C ILE A 133 -6.697 -5.899 0.513 1.00 0.00 C ATOM 2041 O ILE A 133 -7.615 -5.278 1.028 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.604 -6.821 1.557 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.923 -8.060 2.150 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.478 -5.645 2.502 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -4.679 -8.694 3.300 1.00 0.00 C ATOM 0 H ILE A 133 -5.269 -8.617 0.007 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.653 -7.298 2.132 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.101 -6.558 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -3.794 -8.802 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -2.926 -7.783 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.425 -5.462 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.913 -4.759 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.005 -5.866 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -4.130 -9.563 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -4.786 -7.970 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -5.666 -9.005 2.959 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.232 -5.586 -0.680 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.724 -4.430 -1.416 1.00 0.00 C ATOM 2059 C VAL A 134 -7.997 -4.730 -2.185 1.00 0.00 C ATOM 2060 O VAL A 134 -8.962 -3.983 -2.128 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.639 -3.884 -2.365 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.597 -4.579 -3.683 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -5.833 -2.411 -2.584 1.00 0.00 C ATOM 0 H VAL A 134 -5.510 -6.117 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.967 -3.667 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 134 -4.685 -4.074 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -4.811 -4.143 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -5.392 -5.639 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.557 -4.464 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -5.060 -2.038 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -6.814 -2.235 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.766 -1.889 -1.629 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.034 -5.852 -2.848 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.175 -6.156 -3.695 1.00 0.00 C ATOM 2075 C ASN A 135 -10.369 -6.446 -2.821 1.00 0.00 C ATOM 2076 O ASN A 135 -11.475 -5.976 -3.075 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.879 -7.356 -4.601 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.045 -7.804 -5.474 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.197 -7.362 -6.610 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.857 -8.713 -4.957 1.00 0.00 N ATOM 0 H ASN A 135 -7.306 -6.566 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.384 -5.298 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.036 -7.107 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.567 -8.195 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.640 -9.069 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -10.700 -9.057 -4.010 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.143 -7.168 -1.742 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.241 -7.574 -0.947 1.00 0.00 C ATOM 2089 C GLU A 136 -11.454 -6.625 0.229 1.00 0.00 C ATOM 2090 O GLU A 136 -12.571 -6.164 0.465 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.962 -8.993 -0.475 1.00 0.00 C ATOM 2092 CG GLU A 136 -12.112 -9.575 0.320 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.865 -10.992 0.780 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -12.042 -11.926 -0.029 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.508 -11.174 1.958 1.00 0.00 O ATOM 0 H GLU A 136 -9.225 -7.471 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.162 -7.547 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -10.763 -9.628 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.061 -8.998 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -12.298 -8.945 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -13.015 -9.551 -0.290 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.379 -6.280 0.926 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.481 -5.438 2.104 1.00 0.00 C ATOM 2104 C ARG A 137 -10.501 -3.957 1.788 1.00 0.00 C ATOM 2105 O ARG A 137 -11.094 -3.207 2.523 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.433 -5.788 3.149 1.00 0.00 C ATOM 2107 CG ARG A 137 -9.098 -4.655 4.124 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.272 -4.270 5.030 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.688 -5.376 5.900 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.838 -5.408 6.584 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.653 -4.359 6.581 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -12.154 -6.481 7.294 1.00 0.00 N ATOM 0 H ARG A 137 -9.429 -6.571 0.694 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.456 -5.657 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.782 -6.649 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.519 -6.093 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.253 -4.956 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.782 -3.779 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.990 -3.414 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.116 -3.957 4.415 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.059 -6.174 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.404 -3.521 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.528 -4.391 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.521 -7.281 7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.030 -6.507 7.816 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.848 -3.499 0.742 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.936 -2.084 0.444 1.00 0.00 C ATOM 2128 C LEU A 138 -11.377 -1.769 0.125 1.00 0.00 C ATOM 2129 O LEU A 138 -11.905 -0.766 0.585 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.990 -1.690 -0.684 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.905 -0.211 -1.021 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.590 0.639 0.194 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.847 -0.010 -2.068 1.00 0.00 C ATOM 0 H LEU A 138 -9.274 -4.055 0.108 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.620 -1.496 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.990 -2.038 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.292 -2.227 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.879 0.106 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.540 1.688 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.372 0.508 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.632 0.333 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.778 1.049 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.887 -0.356 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.107 -0.577 -2.962 1.00 0.00 H new ATOM 2145 N ARG A 139 -12.033 -2.670 -0.606 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.474 -2.565 -0.796 1.00 0.00 C ATOM 2147 C ARG A 139 -14.176 -2.777 0.540 1.00 0.00 C ATOM 2148 O ARG A 139 -15.235 -2.220 0.784 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.975 -3.564 -1.849 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.212 -3.086 -2.619 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.477 -3.088 -1.765 1.00 0.00 C ATOM 2152 NE ARG A 139 -16.874 -4.440 -1.379 1.00 0.00 N ATOM 2153 CZ ARG A 139 -18.138 -4.845 -1.253 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -19.145 -3.992 -1.402 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -18.398 -6.110 -0.962 1.00 0.00 N ATOM 0 H ARG A 139 -11.596 -3.467 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.708 -1.567 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.172 -3.763 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -14.207 -4.509 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.034 -2.078 -2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.364 -3.727 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.311 -2.489 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -17.289 -2.616 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 139 -16.136 -5.119 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.956 -3.013 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -20.107 -4.316 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -17.632 -6.772 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -19.364 -6.423 -0.865 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.587 -3.582 1.413 1.00 0.00 N ATOM 2170 CA LYS A 140 -14.139 -3.773 2.735 1.00 0.00 C ATOM 2171 C LYS A 140 -14.051 -2.508 3.605 1.00 0.00 C ATOM 2172 O LYS A 140 -15.010 -2.119 4.243 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.439 -4.935 3.437 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.256 -6.214 3.493 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.496 -7.410 2.955 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.211 -7.673 3.724 1.00 0.00 C ATOM 2177 NZ LYS A 140 -11.794 -9.103 3.666 1.00 0.00 N ATOM 0 H LYS A 140 -12.733 -4.108 1.226 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.197 -4.002 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.499 -5.140 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.189 -4.632 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.551 -6.408 4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -15.173 -6.081 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.133 -8.293 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.260 -7.244 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.415 -7.049 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -12.348 -7.380 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.294 -9.355 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.635 -9.706 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -11.161 -9.247 2.853 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.925 -1.855 3.599 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.707 -0.691 4.438 1.00 0.00 C ATOM 2193 C ALA A 141 -13.520 0.484 3.934 1.00 0.00 C ATOM 2194 O ALA A 141 -13.943 1.345 4.708 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.235 -0.347 4.477 1.00 0.00 C ATOM 0 H ALA A 141 -12.127 -2.107 3.016 1.00 0.00 H new ATOM 0 HA ALA A 141 -13.035 -0.921 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -11.082 0.528 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.675 -1.190 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.885 -0.131 3.468 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.743 0.503 2.630 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.530 1.537 2.018 1.00 0.00 C ATOM 2203 C VAL A 142 -16.000 1.118 1.999 1.00 0.00 C ATOM 2204 O VAL A 142 -16.887 1.950 1.824 1.00 0.00 O ATOM 2205 CB VAL A 142 -14.021 1.876 0.603 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.563 2.321 0.670 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -14.186 0.718 -0.371 1.00 0.00 C ATOM 0 H VAL A 142 -13.383 -0.195 1.979 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.432 2.447 2.611 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.634 2.693 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.209 2.559 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.481 3.204 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.956 1.518 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.812 1.011 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.624 -0.143 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -15.241 0.456 -0.449 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.244 -0.187 2.195 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.613 -0.708 2.325 1.00 0.00 C ATOM 2219 C GLU A 143 -17.712 -1.922 3.250 1.00 0.00 C ATOM 2220 O GLU A 143 -18.386 -1.873 4.280 1.00 0.00 O ATOM 2221 CB GLU A 143 -18.182 -1.116 0.973 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.602 0.044 0.108 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.817 -0.289 -0.732 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -19.851 -1.384 -1.334 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.760 0.531 -0.769 1.00 0.00 O ATOM 0 H GLU A 143 -15.515 -0.897 2.267 1.00 0.00 H new ATOM 0 HA GLU A 143 -18.185 0.113 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.435 -1.703 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -19.042 -1.766 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.821 0.906 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.776 0.328 -0.544 1.00 0.00 H new ATOM 2232 N GLU A 144 -17.011 -2.991 2.869 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.142 -4.324 3.486 1.00 0.00 C ATOM 2234 C GLU A 144 -18.567 -4.881 3.344 1.00 0.00 C ATOM 2235 O GLU A 144 -19.557 -4.206 3.631 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.689 -4.279 4.950 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.833 -5.600 5.689 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.767 -5.790 6.749 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.395 -4.802 7.420 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -15.286 -6.929 6.913 1.00 0.00 O ATOM 0 H GLU A 144 -16.326 -2.961 2.114 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.487 -5.012 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.645 -3.968 4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -17.267 -3.518 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.817 -5.647 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.780 -6.421 4.974 1.00 0.00 H new ATOM 2247 N LEU A 145 -18.659 -6.128 2.897 1.00 0.00 N ATOM 2248 CA LEU A 145 -19.944 -6.751 2.596 1.00 0.00 C ATOM 2249 C LEU A 145 -20.635 -7.300 3.845 1.00 0.00 C ATOM 2250 O LEU A 145 -20.450 -8.456 4.222 1.00 0.00 O ATOM 2251 CB LEU A 145 -19.783 -7.863 1.543 1.00 0.00 C ATOM 2252 CG LEU A 145 -18.385 -8.492 1.409 1.00 0.00 C ATOM 2253 CD1 LEU A 145 -17.971 -9.225 2.677 1.00 0.00 C ATOM 2254 CD2 LEU A 145 -18.356 -9.435 0.216 1.00 0.00 C ATOM 0 H LEU A 145 -17.853 -6.732 2.734 1.00 0.00 H new ATOM 0 HA LEU A 145 -20.583 -5.967 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -20.492 -8.657 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -20.067 -7.456 0.573 1.00 0.00 H new ATOM 0 HG LEU A 145 -17.667 -7.687 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.978 -9.655 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -17.952 -8.525 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -18.685 -10.021 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -17.364 -9.877 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -19.094 -10.225 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -18.589 -8.880 -0.692 1.00 0.00 H new ATOM 2266 N GLU A 146 -21.440 -6.467 4.480 1.00 0.00 N ATOM 2267 CA GLU A 146 -22.271 -6.914 5.581 1.00 0.00 C ATOM 2268 C GLU A 146 -23.509 -7.620 5.036 1.00 0.00 C ATOM 2269 O GLU A 146 -24.456 -6.981 4.581 1.00 0.00 O ATOM 2270 CB GLU A 146 -22.656 -5.728 6.479 1.00 0.00 C ATOM 2271 CG GLU A 146 -23.765 -6.025 7.486 1.00 0.00 C ATOM 2272 CD GLU A 146 -23.608 -7.366 8.174 1.00 0.00 C ATOM 2273 OE1 GLU A 146 -22.583 -7.582 8.848 1.00 0.00 O ATOM 2274 OE2 GLU A 146 -24.514 -8.218 8.023 1.00 0.00 O ATOM 0 H GLU A 146 -21.535 -5.478 4.251 1.00 0.00 H new ATOM 0 HA GLU A 146 -21.710 -7.622 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -21.770 -5.398 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -22.971 -4.898 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -23.782 -5.238 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -24.727 -5.997 6.975 1.00 0.00 H new ATOM 2281 N HIS A 147 -23.472 -8.945 5.051 1.00 0.00 N ATOM 2282 CA HIS A 147 -24.594 -9.749 4.593 1.00 0.00 C ATOM 2283 C HIS A 147 -24.803 -10.947 5.509 1.00 0.00 C ATOM 2284 O HIS A 147 -24.663 -12.088 5.072 1.00 0.00 O ATOM 2285 CB HIS A 147 -24.378 -10.247 3.156 1.00 0.00 C ATOM 2286 CG HIS A 147 -24.350 -9.171 2.117 1.00 0.00 C ATOM 2287 ND1 HIS A 147 -25.365 -8.257 1.946 1.00 0.00 N ATOM 2288 CD2 HIS A 147 -23.419 -8.875 1.183 1.00 0.00 C ATOM 2289 CE1 HIS A 147 -25.060 -7.449 0.949 1.00 0.00 C ATOM 2290 NE2 HIS A 147 -23.882 -7.801 0.465 1.00 0.00 N ATOM 0 H HIS A 147 -22.672 -9.487 5.377 1.00 0.00 H new ATOM 0 HA HIS A 147 -25.478 -9.112 4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -23.438 -10.797 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -25.171 -10.952 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -22.482 -9.390 1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -25.671 -6.635 0.588 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -23.398 -7.350 -0.312 1.00 0.00 H new ATOM 2299 N HIS A 148 -25.113 -10.689 6.779 1.00 0.00 N ATOM 2300 CA HIS A 148 -25.464 -11.764 7.712 1.00 0.00 C ATOM 2301 C HIS A 148 -26.600 -12.593 7.138 1.00 0.00 C ATOM 2302 O HIS A 148 -26.537 -13.821 7.090 1.00 0.00 O ATOM 2303 CB HIS A 148 -25.898 -11.210 9.071 1.00 0.00 C ATOM 2304 CG HIS A 148 -24.788 -10.642 9.892 1.00 0.00 C ATOM 2305 ND1 HIS A 148 -24.999 -9.740 10.907 1.00 0.00 N ATOM 2306 CD2 HIS A 148 -23.455 -10.863 9.857 1.00 0.00 C ATOM 2307 CE1 HIS A 148 -23.845 -9.427 11.461 1.00 0.00 C ATOM 2308 NE2 HIS A 148 -22.889 -10.097 10.844 1.00 0.00 N ATOM 0 H HIS A 148 -25.129 -9.753 7.185 1.00 0.00 H new ATOM 0 HA HIS A 148 -24.576 -12.380 7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -26.647 -10.435 8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -26.380 -12.007 9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -22.933 -11.521 9.178 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -23.705 -8.739 12.281 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -21.894 -10.052 11.065 1.00 0.00 H new ATOM 2317 N HIS A 149 -27.638 -11.899 6.702 1.00 0.00 N ATOM 2318 CA HIS A 149 -28.774 -12.530 6.055 1.00 0.00 C ATOM 2319 C HIS A 149 -29.409 -11.539 5.093 1.00 0.00 C ATOM 2320 O HIS A 149 -29.692 -10.398 5.462 1.00 0.00 O ATOM 2321 CB HIS A 149 -29.801 -13.033 7.086 1.00 0.00 C ATOM 2322 CG HIS A 149 -30.475 -11.957 7.893 1.00 0.00 C ATOM 2323 ND1 HIS A 149 -31.828 -11.700 7.822 1.00 0.00 N ATOM 2324 CD2 HIS A 149 -29.979 -11.083 8.803 1.00 0.00 C ATOM 2325 CE1 HIS A 149 -32.133 -10.718 8.646 1.00 0.00 C ATOM 2326 NE2 HIS A 149 -31.032 -10.327 9.252 1.00 0.00 N ATOM 0 H HIS A 149 -27.716 -10.886 6.787 1.00 0.00 H new ATOM 0 HA HIS A 149 -28.427 -13.402 5.501 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -30.566 -13.607 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -29.300 -13.719 7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -28.949 -10.998 9.116 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -33.119 -10.304 8.798 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -30.971 -9.581 9.945 1.00 0.00 H new ATOM 2335 N HIS A 150 -29.598 -11.960 3.859 1.00 0.00 N ATOM 2336 CA HIS A 150 -30.139 -11.081 2.839 1.00 0.00 C ATOM 2337 C HIS A 150 -31.481 -11.613 2.358 1.00 0.00 C ATOM 2338 O HIS A 150 -32.522 -11.214 2.874 1.00 0.00 O ATOM 2339 CB HIS A 150 -29.145 -10.942 1.678 1.00 0.00 C ATOM 2340 CG HIS A 150 -29.408 -9.776 0.771 1.00 0.00 C ATOM 2341 ND1 HIS A 150 -29.098 -8.476 1.109 1.00 0.00 N ATOM 2342 CD2 HIS A 150 -29.933 -9.721 -0.476 1.00 0.00 C ATOM 2343 CE1 HIS A 150 -29.422 -7.675 0.111 1.00 0.00 C ATOM 2344 NE2 HIS A 150 -29.929 -8.405 -0.865 1.00 0.00 N ATOM 0 H HIS A 150 -29.386 -12.904 3.537 1.00 0.00 H new ATOM 0 HA HIS A 150 -30.298 -10.089 3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -28.139 -10.849 2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -29.165 -11.858 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -30.289 -10.559 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -29.294 -6.603 0.096 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -30.263 -8.049 -1.761 1.00 0.00 H new ATOM 2353 N HIS A 151 -31.435 -12.537 1.397 1.00 0.00 N ATOM 2354 CA HIS A 151 -32.627 -13.211 0.873 1.00 0.00 C ATOM 2355 C HIS A 151 -32.253 -13.976 -0.381 1.00 0.00 C ATOM 2356 O HIS A 151 -32.483 -15.178 -0.484 1.00 0.00 O ATOM 2357 CB HIS A 151 -33.756 -12.225 0.547 1.00 0.00 C ATOM 2358 CG HIS A 151 -34.995 -12.466 1.356 1.00 0.00 C ATOM 2359 ND1 HIS A 151 -36.269 -12.336 0.850 1.00 0.00 N ATOM 2360 CD2 HIS A 151 -35.144 -12.816 2.655 1.00 0.00 C ATOM 2361 CE1 HIS A 151 -37.144 -12.594 1.803 1.00 0.00 C ATOM 2362 NE2 HIS A 151 -36.487 -12.889 2.910 1.00 0.00 N ATOM 0 H HIS A 151 -30.566 -12.841 0.957 1.00 0.00 H new ATOM 0 HA HIS A 151 -32.993 -13.887 1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -33.405 -11.208 0.724 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -34.000 -12.298 -0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -34.349 -13.003 3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -38.218 -12.568 1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -36.910 -13.131 3.806 1.00 0.00 H new ATOM 2371 N HIS A 152 -31.664 -13.263 -1.324 1.00 0.00 N ATOM 2372 CA HIS A 152 -31.180 -13.864 -2.556 1.00 0.00 C ATOM 2373 C HIS A 152 -29.972 -13.089 -3.057 1.00 0.00 C ATOM 2374 O HIS A 152 -29.706 -13.107 -4.272 1.00 0.00 O ATOM 2375 CB HIS A 152 -32.284 -13.903 -3.627 1.00 0.00 C ATOM 2376 CG HIS A 152 -32.855 -12.563 -3.993 1.00 0.00 C ATOM 2377 ND1 HIS A 152 -34.080 -12.124 -3.542 1.00 0.00 N ATOM 2378 CD2 HIS A 152 -32.374 -11.576 -4.786 1.00 0.00 C ATOM 2379 CE1 HIS A 152 -34.329 -10.928 -4.043 1.00 0.00 C ATOM 2380 NE2 HIS A 152 -33.309 -10.570 -4.803 1.00 0.00 N ATOM 2381 OXT HIS A 152 -29.306 -12.441 -2.223 1.00 0.00 O ATOM 0 H HIS A 152 -31.508 -12.257 -1.260 1.00 0.00 H new ATOM 0 HA HIS A 152 -30.887 -14.894 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -31.881 -14.369 -4.527 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -33.093 -14.542 -3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -31.429 -11.579 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -35.217 -10.341 -3.862 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -33.229 -9.692 -5.317 1.00 0.00 H new TER 2390 HIS A 152