USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 694 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 81 THR OG1 : rot 141:sc= 2.4 USER MOD Set 1.2: A 83 SER OG : rot 86:sc= 1.01 USER MOD Set 2.1: A 66 CYS SG : rot 180:sc= -0.131 USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0.00287 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 ASN : amide:sc= 0.635 X(o=0.63,f=0.22) USER MOD Set 4.1: A 37 THR OG1 : rot 59:sc= 1.23 USER MOD Set 4.2: A 40 GLN :FLIP amide:sc= -0.181 F(o=-1.3!,f=1.6) USER MOD Set 4.3: A 57 ASN : amide:sc= 0.514 K(o=1.6,f=-6.7!) USER MOD Set 5.1: A 2 LYS NZ :NH3+ -119:sc= 0.812 (180deg=-0.0158) USER MOD Set 5.2: A 4 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 1 MET CE :methyl -150:sc= -0.0812 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0804 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -121:sc= -1.11! (180deg=-2.64!) USER MOD Single : A 10 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.069) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 2.14 (180deg=1.92) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 23 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.27) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -74:sc= 1.67 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.677 K(o=-0.68,f=-1.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= -0.0128 (180deg=-0.115) USER MOD Single : A 42 ASN : amide:sc= 0.685 K(o=0.68,f=-2.3!) USER MOD Single : A 50 HIS : no HE2:sc= 0.514 K(o=0.51,f=-1.8) USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= 1.21 (180deg=-0.319) USER MOD Single : A 54 THR OG1 : rot -24:sc= 0.306 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc=-0.00679 (180deg=-0.131) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0532 F(o=-0.92,f=-0.053) USER MOD Single : A 73 TYR OH : rot 166:sc= 0.505 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 78:sc= 0.453 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 87 GLN : amide:sc= 0.0732 K(o=0.073,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.172 0.828 -1.573 1.00 0.00 N ATOM 2 CA MET A 1 3.357 0.527 -2.409 1.00 0.00 C ATOM 3 C MET A 1 3.689 -0.975 -2.355 1.00 0.00 C ATOM 4 O MET A 1 3.045 -1.741 -1.627 1.00 0.00 O ATOM 5 CB MET A 1 4.580 1.388 -1.969 1.00 0.00 C ATOM 6 CG MET A 1 5.052 1.157 -0.526 1.00 0.00 C ATOM 7 SD MET A 1 6.564 2.064 -0.123 1.00 0.00 S ATOM 8 CE MET A 1 7.774 1.271 -1.190 1.00 0.00 C ATOM 0 H1 MET A 1 2.380 1.638 -0.955 1.00 0.00 H new ATOM 0 H2 MET A 1 1.364 1.058 -2.186 1.00 0.00 H new ATOM 0 H3 MET A 1 1.939 -0.001 -0.990 1.00 0.00 H new ATOM 0 HA MET A 1 3.123 0.785 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.411 1.183 -2.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.325 2.441 -2.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.261 1.457 0.161 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.222 0.091 -0.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.756 1.311 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.491 0.231 -1.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.810 1.790 -2.148 1.00 0.00 H new ATOM 20 N LYS A 2 4.676 -1.375 -3.165 1.00 0.00 N ATOM 21 CA LYS A 2 5.249 -2.729 -3.178 1.00 0.00 C ATOM 22 C LYS A 2 6.688 -2.606 -3.701 1.00 0.00 C ATOM 23 O LYS A 2 6.896 -2.595 -4.913 1.00 0.00 O ATOM 24 CB LYS A 2 4.403 -3.680 -4.082 1.00 0.00 C ATOM 25 CG LYS A 2 4.886 -5.152 -4.099 1.00 0.00 C ATOM 26 CD LYS A 2 4.220 -6.004 -5.209 1.00 0.00 C ATOM 27 CE LYS A 2 4.552 -5.512 -6.631 1.00 0.00 C ATOM 28 NZ LYS A 2 6.007 -5.596 -6.942 1.00 0.00 N ATOM 0 H LYS A 2 5.110 -0.752 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 2 5.243 -3.160 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.367 -3.655 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.415 -3.296 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.967 -5.171 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.680 -5.606 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.542 -7.040 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.139 -5.990 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.995 -6.105 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.220 -4.480 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.374 -4.645 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.514 -5.994 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.150 -6.208 -7.770 1.00 0.00 H new ATOM 42 N ASP A 3 7.673 -2.500 -2.782 1.00 0.00 N ATOM 43 CA ASP A 3 9.076 -2.114 -3.123 1.00 0.00 C ATOM 44 C ASP A 3 9.797 -3.132 -4.041 1.00 0.00 C ATOM 45 O ASP A 3 10.862 -2.829 -4.596 1.00 0.00 O ATOM 46 CB ASP A 3 9.909 -1.850 -1.837 1.00 0.00 C ATOM 47 CG ASP A 3 10.065 -3.086 -0.931 1.00 0.00 C ATOM 48 OD1 ASP A 3 11.005 -3.887 -1.141 1.00 0.00 O ATOM 49 OD2 ASP A 3 9.250 -3.259 0.001 1.00 0.00 O ATOM 0 H ASP A 3 7.528 -2.676 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 3 8.999 -1.190 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.899 -1.494 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.436 -1.051 -1.267 1.00 0.00 H new ATOM 54 N SER A 4 9.203 -4.320 -4.212 1.00 0.00 N ATOM 55 CA SER A 4 9.692 -5.348 -5.152 1.00 0.00 C ATOM 56 C SER A 4 9.384 -4.983 -6.630 1.00 0.00 C ATOM 57 O SER A 4 9.701 -5.752 -7.543 1.00 0.00 O ATOM 58 CB SER A 4 9.071 -6.704 -4.773 1.00 0.00 C ATOM 59 OG SER A 4 7.654 -6.638 -4.755 1.00 0.00 O ATOM 0 H SER A 4 8.366 -4.601 -3.702 1.00 0.00 H new ATOM 0 HA SER A 4 10.778 -5.406 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.392 -7.465 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.435 -7.011 -3.792 1.00 0.00 H new ATOM 0 HG SER A 4 7.289 -7.515 -4.513 1.00 0.00 H new ATOM 65 N ASP A 5 8.767 -3.796 -6.859 1.00 0.00 N ATOM 66 CA ASP A 5 8.509 -3.262 -8.213 1.00 0.00 C ATOM 67 C ASP A 5 9.815 -2.788 -8.874 1.00 0.00 C ATOM 68 O ASP A 5 9.856 -2.609 -10.081 1.00 0.00 O ATOM 69 CB ASP A 5 7.496 -2.083 -8.168 1.00 0.00 C ATOM 70 CG ASP A 5 8.093 -0.773 -7.607 1.00 0.00 C ATOM 71 OD1 ASP A 5 8.436 -0.737 -6.415 1.00 0.00 O ATOM 72 OD2 ASP A 5 8.229 0.212 -8.364 1.00 0.00 O ATOM 0 H ASP A 5 8.437 -3.187 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 5 8.082 -4.072 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.121 -1.899 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.641 -2.373 -7.557 1.00 0.00 H new ATOM 77 N LYS A 6 10.879 -2.597 -8.063 1.00 0.00 N ATOM 78 CA LYS A 6 12.187 -2.079 -8.534 1.00 0.00 C ATOM 79 C LYS A 6 12.815 -3.002 -9.609 1.00 0.00 C ATOM 80 O LYS A 6 13.731 -2.599 -10.342 1.00 0.00 O ATOM 81 CB LYS A 6 13.123 -1.883 -7.307 1.00 0.00 C ATOM 82 CG LYS A 6 14.456 -1.140 -7.569 1.00 0.00 C ATOM 83 CD LYS A 6 14.291 0.262 -8.222 1.00 0.00 C ATOM 84 CE LYS A 6 13.358 1.222 -7.451 1.00 0.00 C ATOM 85 NZ LYS A 6 13.777 1.435 -6.036 1.00 0.00 N ATOM 0 H LYS A 6 10.857 -2.797 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 6 12.039 -1.115 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.572 -1.337 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.355 -2.865 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.987 -1.027 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.081 -1.757 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.274 0.725 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.905 0.135 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.331 2.183 -7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.343 0.824 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.113 2.087 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.777 0.525 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.734 1.842 -6.015 1.00 0.00 H new ATOM 99 N GLU A 7 12.309 -4.247 -9.690 1.00 0.00 N ATOM 100 CA GLU A 7 12.668 -5.204 -10.742 1.00 0.00 C ATOM 101 C GLU A 7 11.389 -5.744 -11.430 1.00 0.00 C ATOM 102 O GLU A 7 11.429 -6.123 -12.597 1.00 0.00 O ATOM 103 CB GLU A 7 13.536 -6.389 -10.178 1.00 0.00 C ATOM 104 CG GLU A 7 14.187 -6.172 -8.791 1.00 0.00 C ATOM 105 CD GLU A 7 13.201 -6.359 -7.616 1.00 0.00 C ATOM 106 OE1 GLU A 7 12.890 -7.521 -7.277 1.00 0.00 O ATOM 107 OE2 GLU A 7 12.740 -5.356 -7.034 1.00 0.00 O ATOM 0 H GLU A 7 11.634 -4.615 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 7 13.274 -4.679 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.906 -7.277 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.328 -6.603 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.017 -6.869 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.606 -5.167 -8.748 1.00 0.00 H new ATOM 114 N LYS A 8 10.253 -5.791 -10.704 1.00 0.00 N ATOM 115 CA LYS A 8 8.985 -6.367 -11.230 1.00 0.00 C ATOM 116 C LYS A 8 7.989 -5.270 -11.693 1.00 0.00 C ATOM 117 O LYS A 8 6.777 -5.518 -11.730 1.00 0.00 O ATOM 118 CB LYS A 8 8.316 -7.314 -10.170 1.00 0.00 C ATOM 119 CG LYS A 8 8.962 -8.720 -10.020 1.00 0.00 C ATOM 120 CD LYS A 8 10.361 -8.690 -9.363 1.00 0.00 C ATOM 121 CE LYS A 8 10.999 -10.086 -9.251 1.00 0.00 C ATOM 122 NZ LYS A 8 12.285 -10.037 -8.519 1.00 0.00 N ATOM 0 H LYS A 8 10.182 -5.438 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 8 9.245 -6.958 -12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.340 -6.818 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.267 -7.443 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.303 -9.352 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.042 -9.181 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.016 -8.042 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.281 -8.252 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.313 -10.761 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.162 -10.494 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.046 -10.396 -9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.493 -9.055 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.220 -10.626 -7.664 1.00 0.00 H new ATOM 136 N GLU A 9 8.489 -4.073 -12.079 1.00 0.00 N ATOM 137 CA GLU A 9 7.622 -2.988 -12.610 1.00 0.00 C ATOM 138 C GLU A 9 7.134 -3.316 -14.034 1.00 0.00 C ATOM 139 O GLU A 9 7.739 -4.128 -14.746 1.00 0.00 O ATOM 140 CB GLU A 9 8.318 -1.584 -12.601 1.00 0.00 C ATOM 141 CG GLU A 9 9.517 -1.397 -13.563 1.00 0.00 C ATOM 142 CD GLU A 9 10.824 -2.059 -13.092 1.00 0.00 C ATOM 143 OE1 GLU A 9 11.068 -3.236 -13.424 1.00 0.00 O ATOM 144 OE2 GLU A 9 11.616 -1.397 -12.397 1.00 0.00 O ATOM 0 H GLU A 9 9.479 -3.832 -12.035 1.00 0.00 H new ATOM 0 HA GLU A 9 6.768 -2.932 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.568 -0.831 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.661 -1.380 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.250 -1.803 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.694 -0.330 -13.699 1.00 0.00 H new ATOM 151 N ASN A 10 6.020 -2.675 -14.429 1.00 0.00 N ATOM 152 CA ASN A 10 5.413 -2.834 -15.764 1.00 0.00 C ATOM 153 C ASN A 10 5.926 -1.727 -16.699 1.00 0.00 C ATOM 154 O ASN A 10 6.360 -0.663 -16.233 1.00 0.00 O ATOM 155 CB ASN A 10 3.861 -2.787 -15.657 1.00 0.00 C ATOM 156 CG ASN A 10 3.156 -3.293 -16.920 1.00 0.00 C ATOM 157 OD1 ASN A 10 2.899 -2.536 -17.858 1.00 0.00 O ATOM 158 ND2 ASN A 10 2.838 -4.578 -16.951 1.00 0.00 N ATOM 0 H ASN A 10 5.511 -2.027 -13.827 1.00 0.00 H new ATOM 0 HA ASN A 10 5.697 -3.802 -16.176 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.543 -3.388 -14.805 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.547 -1.762 -15.459 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.367 -4.967 -17.768 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.064 -5.179 -16.158 1.00 0.00 H new ATOM 165 N GLY A 11 5.878 -1.992 -18.011 1.00 0.00 N ATOM 166 CA GLY A 11 6.352 -1.046 -19.018 1.00 0.00 C ATOM 167 C GLY A 11 7.775 -1.335 -19.437 1.00 0.00 C ATOM 168 O GLY A 11 8.495 -0.433 -19.892 1.00 0.00 O ATOM 0 H GLY A 11 5.512 -2.862 -18.398 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.701 -1.088 -19.891 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.289 -0.032 -18.622 1.00 0.00 H new ATOM 172 N LYS A 12 8.186 -2.603 -19.271 1.00 0.00 N ATOM 173 CA LYS A 12 9.499 -3.074 -19.714 1.00 0.00 C ATOM 174 C LYS A 12 9.439 -3.290 -21.228 1.00 0.00 C ATOM 175 O LYS A 12 9.129 -4.384 -21.722 1.00 0.00 O ATOM 176 CB LYS A 12 9.917 -4.363 -18.943 1.00 0.00 C ATOM 177 CG LYS A 12 9.805 -4.239 -17.401 1.00 0.00 C ATOM 178 CD LYS A 12 10.566 -3.013 -16.824 1.00 0.00 C ATOM 179 CE LYS A 12 12.090 -3.204 -16.777 1.00 0.00 C ATOM 180 NZ LYS A 12 12.472 -4.256 -15.795 1.00 0.00 N ATOM 0 H LYS A 12 7.617 -3.324 -18.827 1.00 0.00 H new ATOM 0 HA LYS A 12 10.266 -2.332 -19.493 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.293 -5.192 -19.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.946 -4.613 -19.204 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.753 -4.167 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.194 -5.148 -16.942 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.336 -2.135 -17.428 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.202 -2.811 -15.817 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.455 -3.477 -17.767 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.569 -2.262 -16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.506 -4.269 -15.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.029 -4.051 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.148 -5.184 -16.136 1.00 0.00 H new ATOM 194 N MET A 13 9.672 -2.185 -21.946 1.00 0.00 N ATOM 195 CA MET A 13 9.589 -2.127 -23.403 1.00 0.00 C ATOM 196 C MET A 13 10.843 -2.737 -24.025 1.00 0.00 C ATOM 197 O MET A 13 11.860 -2.910 -23.343 1.00 0.00 O ATOM 198 CB MET A 13 9.400 -0.648 -23.858 1.00 0.00 C ATOM 199 CG MET A 13 10.595 0.289 -23.577 1.00 0.00 C ATOM 200 SD MET A 13 11.956 0.068 -24.753 1.00 0.00 S ATOM 201 CE MET A 13 13.265 1.044 -24.016 1.00 0.00 C ATOM 0 H MET A 13 9.927 -1.294 -21.520 1.00 0.00 H new ATOM 0 HA MET A 13 8.730 -2.706 -23.742 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.196 -0.638 -24.929 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.518 -0.243 -23.362 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.255 1.324 -23.613 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.962 0.109 -22.566 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.155 0.990 -24.642 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.942 2.082 -23.932 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.495 0.654 -23.024 1.00 0.00 H new ATOM 211 N GLY A 14 10.748 -3.069 -25.311 1.00 0.00 N ATOM 212 CA GLY A 14 11.909 -3.467 -26.089 1.00 0.00 C ATOM 213 C GLY A 14 12.332 -4.922 -25.925 1.00 0.00 C ATOM 214 O GLY A 14 13.422 -5.300 -26.364 1.00 0.00 O ATOM 0 H GLY A 14 9.872 -3.069 -25.834 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.701 -3.282 -27.143 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.748 -2.828 -25.813 1.00 0.00 H new ATOM 218 N CYS A 15 11.497 -5.743 -25.281 1.00 0.00 N ATOM 219 CA CYS A 15 11.762 -7.186 -25.158 1.00 0.00 C ATOM 220 C CYS A 15 11.232 -7.892 -26.426 1.00 0.00 C ATOM 221 O CYS A 15 10.171 -8.529 -26.414 1.00 0.00 O ATOM 222 CB CYS A 15 11.135 -7.744 -23.854 1.00 0.00 C ATOM 223 SG CYS A 15 11.450 -9.500 -23.564 1.00 0.00 S ATOM 0 H CYS A 15 10.632 -5.437 -24.836 1.00 0.00 H new ATOM 0 HA CYS A 15 12.833 -7.375 -25.085 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.519 -7.174 -23.008 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.058 -7.581 -23.885 1.00 0.00 H new ATOM 0 HG CYS A 15 10.886 -9.864 -22.451 1.00 0.00 H new ATOM 229 N TRP A 16 11.972 -7.701 -27.542 1.00 0.00 N ATOM 230 CA TRP A 16 11.613 -8.218 -28.873 1.00 0.00 C ATOM 231 C TRP A 16 12.089 -9.667 -29.041 1.00 0.00 C ATOM 232 O TRP A 16 12.875 -10.182 -28.230 1.00 0.00 O ATOM 233 CB TRP A 16 12.247 -7.347 -30.006 1.00 0.00 C ATOM 234 CG TRP A 16 12.038 -5.854 -29.853 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.864 -5.165 -29.988 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.042 -4.871 -29.547 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.076 -3.830 -29.769 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.401 -3.622 -29.499 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.417 -4.924 -29.301 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.085 -2.440 -29.210 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.092 -3.750 -29.018 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.425 -2.520 -28.973 1.00 0.00 C ATOM 0 H TRP A 16 12.846 -7.176 -27.538 1.00 0.00 H new ATOM 0 HA TRP A 16 10.527 -8.177 -28.952 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.318 -7.548 -30.043 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.830 -7.662 -30.963 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.910 -5.609 -30.232 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.359 -3.105 -29.802 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.944 -5.866 -29.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.569 -1.492 -29.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.155 -3.783 -28.828 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.980 -1.622 -28.747 1.00 0.00 H new ATOM 253 N SER A 17 11.600 -10.309 -30.107 1.00 0.00 N ATOM 254 CA SER A 17 12.118 -11.596 -30.578 1.00 0.00 C ATOM 255 C SER A 17 13.494 -11.388 -31.245 1.00 0.00 C ATOM 256 O SER A 17 13.782 -10.287 -31.743 1.00 0.00 O ATOM 257 CB SER A 17 11.118 -12.212 -31.576 1.00 0.00 C ATOM 258 OG SER A 17 9.836 -12.367 -30.990 1.00 0.00 O ATOM 0 H SER A 17 10.830 -9.948 -30.670 1.00 0.00 H new ATOM 0 HA SER A 17 12.241 -12.277 -29.736 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.043 -11.576 -32.458 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.486 -13.181 -31.912 1.00 0.00 H new ATOM 0 HG SER A 17 9.222 -12.758 -31.646 1.00 0.00 H new ATOM 264 N ILE A 18 14.325 -12.445 -31.262 1.00 0.00 N ATOM 265 CA ILE A 18 15.671 -12.391 -31.872 1.00 0.00 C ATOM 266 C ILE A 18 15.566 -12.094 -33.379 1.00 0.00 C ATOM 267 O ILE A 18 16.277 -11.235 -33.900 1.00 0.00 O ATOM 268 CB ILE A 18 16.464 -13.736 -31.667 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.598 -14.098 -30.147 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.848 -13.688 -32.375 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.295 -13.062 -29.282 1.00 0.00 C ATOM 0 H ILE A 18 14.089 -13.352 -30.859 1.00 0.00 H new ATOM 0 HA ILE A 18 16.216 -11.590 -31.372 1.00 0.00 H new ATOM 0 HB ILE A 18 15.888 -14.534 -32.135 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.600 -14.269 -29.744 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.141 -15.039 -30.063 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.371 -14.631 -32.215 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.705 -13.529 -33.444 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.439 -12.870 -31.963 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.332 -13.414 -28.251 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.309 -12.905 -29.649 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.744 -12.122 -29.324 1.00 0.00 H new ATOM 283 N GLU A 19 14.652 -12.807 -34.057 1.00 0.00 N ATOM 284 CA GLU A 19 14.441 -12.656 -35.504 1.00 0.00 C ATOM 285 C GLU A 19 13.805 -11.300 -35.850 1.00 0.00 C ATOM 286 O GLU A 19 14.048 -10.766 -36.931 1.00 0.00 O ATOM 287 CB GLU A 19 13.617 -13.835 -36.059 1.00 0.00 C ATOM 288 CG GLU A 19 14.336 -15.191 -35.944 1.00 0.00 C ATOM 289 CD GLU A 19 13.591 -16.339 -36.644 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.557 -16.801 -36.112 1.00 0.00 O ATOM 291 OE2 GLU A 19 14.029 -16.770 -37.735 1.00 0.00 O ATOM 0 H GLU A 19 14.043 -13.499 -33.620 1.00 0.00 H new ATOM 0 HA GLU A 19 15.417 -12.674 -35.988 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.668 -13.889 -35.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.383 -13.644 -37.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.335 -15.102 -36.372 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.462 -15.439 -34.890 1.00 0.00 H new ATOM 298 N HIS A 20 13.017 -10.731 -34.919 1.00 0.00 N ATOM 299 CA HIS A 20 12.482 -9.361 -35.070 1.00 0.00 C ATOM 300 C HIS A 20 13.653 -8.365 -35.109 1.00 0.00 C ATOM 301 O HIS A 20 13.715 -7.508 -35.986 1.00 0.00 O ATOM 302 CB HIS A 20 11.509 -9.002 -33.911 1.00 0.00 C ATOM 303 CG HIS A 20 10.873 -7.639 -34.035 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.676 -7.418 -34.691 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.286 -6.422 -33.604 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.385 -6.130 -34.656 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.348 -5.507 -34.006 1.00 0.00 N ATOM 0 H HIS A 20 12.736 -11.196 -34.056 1.00 0.00 H new ATOM 0 HA HIS A 20 11.918 -9.306 -36.001 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.722 -9.755 -33.866 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.052 -9.052 -32.967 1.00 0.00 H new ATOM 0 HD1 HIS A 20 9.106 -8.138 -35.134 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.187 -6.212 -33.047 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.509 -5.667 -35.086 1.00 0.00 H new ATOM 316 N VAL A 21 14.589 -8.530 -34.163 1.00 0.00 N ATOM 317 CA VAL A 21 15.801 -7.707 -34.079 1.00 0.00 C ATOM 318 C VAL A 21 16.599 -7.795 -35.397 1.00 0.00 C ATOM 319 O VAL A 21 16.630 -6.835 -36.148 1.00 0.00 O ATOM 320 CB VAL A 21 16.677 -8.141 -32.838 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.108 -7.540 -32.873 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.949 -7.769 -31.523 1.00 0.00 C ATOM 0 H VAL A 21 14.525 -9.240 -33.434 1.00 0.00 H new ATOM 0 HA VAL A 21 15.514 -6.666 -33.932 1.00 0.00 H new ATOM 0 HB VAL A 21 16.800 -9.223 -32.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.664 -7.872 -31.996 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.621 -7.873 -33.775 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.046 -6.452 -32.872 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.559 -8.071 -30.672 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.787 -6.692 -31.489 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.988 -8.282 -31.481 1.00 0.00 H new ATOM 332 N GLU A 22 17.106 -8.995 -35.721 1.00 0.00 N ATOM 333 CA GLU A 22 18.089 -9.188 -36.809 1.00 0.00 C ATOM 334 C GLU A 22 17.533 -8.843 -38.201 1.00 0.00 C ATOM 335 O GLU A 22 18.227 -8.219 -39.011 1.00 0.00 O ATOM 336 CB GLU A 22 18.625 -10.637 -36.803 1.00 0.00 C ATOM 337 CG GLU A 22 17.568 -11.730 -37.033 1.00 0.00 C ATOM 338 CD GLU A 22 18.163 -13.118 -37.292 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.792 -13.301 -38.358 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.985 -14.034 -36.458 1.00 0.00 O ATOM 0 H GLU A 22 16.850 -9.858 -35.241 1.00 0.00 H new ATOM 0 HA GLU A 22 18.902 -8.490 -36.611 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.390 -10.727 -37.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.113 -10.822 -35.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.916 -11.781 -36.161 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.945 -11.448 -37.882 1.00 0.00 H new ATOM 347 N GLN A 23 16.283 -9.253 -38.462 1.00 0.00 N ATOM 348 CA GLN A 23 15.659 -9.102 -39.782 1.00 0.00 C ATOM 349 C GLN A 23 15.194 -7.661 -39.999 1.00 0.00 C ATOM 350 O GLN A 23 15.289 -7.136 -41.115 1.00 0.00 O ATOM 351 CB GLN A 23 14.477 -10.096 -39.926 1.00 0.00 C ATOM 352 CG GLN A 23 14.895 -11.587 -39.914 1.00 0.00 C ATOM 353 CD GLN A 23 15.846 -11.987 -41.055 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.781 -11.442 -42.164 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.741 -12.937 -40.792 1.00 0.00 N ATOM 0 H GLN A 23 15.681 -9.696 -37.768 1.00 0.00 H new ATOM 0 HA GLN A 23 16.399 -9.331 -40.549 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.770 -9.922 -39.115 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.951 -9.885 -40.857 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.375 -11.810 -38.961 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.998 -12.204 -39.971 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.771 -13.368 -39.868 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.397 -13.234 -41.514 1.00 0.00 H new ATOM 364 N TYR A 24 14.690 -7.023 -38.927 1.00 0.00 N ATOM 365 CA TYR A 24 14.135 -5.664 -39.016 1.00 0.00 C ATOM 366 C TYR A 24 15.167 -4.596 -38.622 1.00 0.00 C ATOM 367 O TYR A 24 14.841 -3.420 -38.689 1.00 0.00 O ATOM 368 CB TYR A 24 12.857 -5.530 -38.144 1.00 0.00 C ATOM 369 CG TYR A 24 11.682 -6.427 -38.569 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.769 -7.820 -38.508 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.486 -5.883 -39.029 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.717 -8.627 -38.887 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.430 -6.686 -39.406 1.00 0.00 C ATOM 374 CZ TYR A 24 9.547 -8.055 -39.336 1.00 0.00 C ATOM 375 OH TYR A 24 8.486 -8.854 -39.709 1.00 0.00 O ATOM 0 H TYR A 24 14.657 -7.428 -37.991 1.00 0.00 H new ATOM 0 HA TYR A 24 13.867 -5.495 -40.059 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.115 -5.761 -37.110 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.528 -4.491 -38.166 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.682 -8.276 -38.155 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.383 -4.810 -39.092 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.810 -9.702 -38.832 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.511 -6.240 -39.756 1.00 0.00 H new ATOM 0 HH TYR A 24 7.739 -8.291 -40.000 1.00 0.00 H new ATOM 385 N LEU A 25 16.397 -4.994 -38.218 1.00 0.00 N ATOM 386 CA LEU A 25 17.473 -4.022 -37.894 1.00 0.00 C ATOM 387 C LEU A 25 17.769 -3.116 -39.109 1.00 0.00 C ATOM 388 O LEU A 25 18.278 -3.580 -40.137 1.00 0.00 O ATOM 389 CB LEU A 25 18.776 -4.741 -37.388 1.00 0.00 C ATOM 390 CG LEU A 25 18.946 -4.833 -35.835 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.243 -5.556 -35.461 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.880 -3.445 -35.174 1.00 0.00 C ATOM 0 H LEU A 25 16.669 -5.971 -38.109 1.00 0.00 H new ATOM 0 HA LEU A 25 17.118 -3.394 -37.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.792 -5.751 -37.796 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.639 -4.217 -37.798 1.00 0.00 H new ATOM 0 HG LEU A 25 18.111 -5.420 -35.452 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.333 -5.604 -34.376 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.227 -6.567 -35.869 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.094 -5.013 -35.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.002 -3.549 -34.096 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.677 -2.815 -35.570 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.915 -2.986 -35.387 1.00 0.00 H new ATOM 404 N GLY A 26 17.419 -1.826 -38.957 1.00 0.00 N ATOM 405 CA GLY A 26 17.602 -0.814 -39.999 1.00 0.00 C ATOM 406 C GLY A 26 16.306 -0.391 -40.700 1.00 0.00 C ATOM 407 O GLY A 26 16.354 0.430 -41.625 1.00 0.00 O ATOM 0 H GLY A 26 17.000 -1.460 -38.102 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.066 0.067 -39.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.296 -1.199 -40.746 1.00 0.00 H new ATOM 411 N THR A 27 15.148 -0.929 -40.266 1.00 0.00 N ATOM 412 CA THR A 27 13.826 -0.544 -40.828 1.00 0.00 C ATOM 413 C THR A 27 13.188 0.588 -39.988 1.00 0.00 C ATOM 414 O THR A 27 13.792 1.080 -39.028 1.00 0.00 O ATOM 415 CB THR A 27 12.835 -1.763 -40.886 1.00 0.00 C ATOM 416 OG1 THR A 27 12.516 -2.219 -39.562 1.00 0.00 O ATOM 417 CG2 THR A 27 13.396 -2.933 -41.715 1.00 0.00 C ATOM 0 H THR A 27 15.096 -1.632 -39.528 1.00 0.00 H new ATOM 0 HA THR A 27 14.003 -0.196 -41.846 1.00 0.00 H new ATOM 0 HB THR A 27 11.929 -1.409 -41.379 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.281 -2.707 -39.191 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.675 -3.750 -41.725 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.581 -2.600 -42.736 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.330 -3.278 -41.271 1.00 0.00 H new ATOM 425 N ASP A 28 11.966 1.007 -40.371 1.00 0.00 N ATOM 426 CA ASP A 28 11.150 1.945 -39.570 1.00 0.00 C ATOM 427 C ASP A 28 10.494 1.214 -38.379 1.00 0.00 C ATOM 428 O ASP A 28 10.092 1.848 -37.399 1.00 0.00 O ATOM 429 CB ASP A 28 10.058 2.599 -40.454 1.00 0.00 C ATOM 430 CG ASP A 28 10.639 3.393 -41.643 1.00 0.00 C ATOM 431 OD1 ASP A 28 11.065 4.552 -41.450 1.00 0.00 O ATOM 432 OD2 ASP A 28 10.678 2.860 -42.772 1.00 0.00 O ATOM 0 H ASP A 28 11.518 0.708 -41.237 1.00 0.00 H new ATOM 0 HA ASP A 28 11.807 2.724 -39.183 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.393 1.823 -40.833 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.453 3.266 -39.840 1.00 0.00 H new ATOM 437 N GLU A 29 10.390 -0.124 -38.496 1.00 0.00 N ATOM 438 CA GLU A 29 9.764 -0.995 -37.485 1.00 0.00 C ATOM 439 C GLU A 29 10.735 -1.260 -36.318 1.00 0.00 C ATOM 440 O GLU A 29 10.351 -1.165 -35.146 1.00 0.00 O ATOM 441 CB GLU A 29 9.325 -2.325 -38.145 1.00 0.00 C ATOM 442 CG GLU A 29 8.355 -2.137 -39.329 1.00 0.00 C ATOM 443 CD GLU A 29 7.897 -3.460 -39.953 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.934 -4.070 -39.433 1.00 0.00 O ATOM 445 OE2 GLU A 29 8.491 -3.892 -40.961 1.00 0.00 O ATOM 0 H GLU A 29 10.743 -0.635 -39.305 1.00 0.00 H new ATOM 0 HA GLU A 29 8.885 -0.493 -37.080 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.210 -2.858 -38.493 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.849 -2.954 -37.393 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.481 -1.582 -38.989 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.840 -1.531 -40.094 1.00 0.00 H new ATOM 452 N LEU A 30 12.001 -1.588 -36.655 1.00 0.00 N ATOM 453 CA LEU A 30 13.074 -1.785 -35.662 1.00 0.00 C ATOM 454 C LEU A 30 14.346 -1.059 -36.158 1.00 0.00 C ATOM 455 O LEU A 30 15.219 -1.675 -36.774 1.00 0.00 O ATOM 456 CB LEU A 30 13.321 -3.317 -35.399 1.00 0.00 C ATOM 457 CG LEU A 30 13.936 -3.732 -34.017 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.427 -3.354 -33.863 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.100 -3.145 -32.870 1.00 0.00 C ATOM 0 H LEU A 30 12.305 -1.723 -37.619 1.00 0.00 H new ATOM 0 HA LEU A 30 12.782 -1.356 -34.704 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.368 -3.834 -35.510 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.979 -3.690 -36.184 1.00 0.00 H new ATOM 0 HG LEU A 30 13.902 -4.821 -33.975 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.784 -3.672 -32.883 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.010 -3.849 -34.640 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.540 -2.274 -33.957 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.535 -3.439 -31.915 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.091 -2.058 -32.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.079 -3.521 -32.934 1.00 0.00 H new ATOM 471 N PRO A 31 14.446 0.285 -35.951 1.00 0.00 N ATOM 472 CA PRO A 31 15.686 1.031 -36.244 1.00 0.00 C ATOM 473 C PRO A 31 16.842 0.586 -35.318 1.00 0.00 C ATOM 474 O PRO A 31 16.619 0.223 -34.148 1.00 0.00 O ATOM 475 CB PRO A 31 15.286 2.516 -36.026 1.00 0.00 C ATOM 476 CG PRO A 31 14.100 2.461 -35.111 1.00 0.00 C ATOM 477 CD PRO A 31 13.368 1.186 -35.458 1.00 0.00 C ATOM 0 HA PRO A 31 16.062 0.856 -37.252 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.103 3.085 -35.582 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.036 3.001 -36.969 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.412 2.460 -34.067 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.458 3.331 -35.251 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.861 0.766 -34.589 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.607 1.355 -36.220 1.00 0.00 H new ATOM 485 N LYS A 32 18.070 0.622 -35.867 1.00 0.00 N ATOM 486 CA LYS A 32 19.302 0.199 -35.173 1.00 0.00 C ATOM 487 C LYS A 32 19.503 0.969 -33.860 1.00 0.00 C ATOM 488 O LYS A 32 19.898 0.383 -32.844 1.00 0.00 O ATOM 489 CB LYS A 32 20.530 0.384 -36.111 1.00 0.00 C ATOM 490 CG LYS A 32 20.499 -0.485 -37.378 1.00 0.00 C ATOM 491 CD LYS A 32 21.737 -0.252 -38.280 1.00 0.00 C ATOM 492 CE LYS A 32 21.518 -0.774 -39.707 1.00 0.00 C ATOM 493 NZ LYS A 32 22.689 -0.531 -40.589 1.00 0.00 N ATOM 0 H LYS A 32 18.238 0.950 -36.818 1.00 0.00 H new ATOM 0 HA LYS A 32 19.203 -0.856 -34.920 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.592 1.432 -36.405 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.437 0.156 -35.551 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.452 -1.536 -37.094 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.593 -0.267 -37.944 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.964 0.814 -38.315 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.603 -0.748 -37.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.310 -1.843 -39.671 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.639 -0.293 -40.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.490 -0.902 -41.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.874 0.491 -40.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.524 -1.012 -40.198 1.00 0.00 H new ATOM 507 N ASN A 33 19.167 2.272 -33.892 1.00 0.00 N ATOM 508 CA ASN A 33 19.341 3.184 -32.746 1.00 0.00 C ATOM 509 C ASN A 33 18.573 2.686 -31.500 1.00 0.00 C ATOM 510 O ASN A 33 19.097 2.735 -30.394 1.00 0.00 O ATOM 511 CB ASN A 33 18.874 4.614 -33.114 1.00 0.00 C ATOM 512 CG ASN A 33 19.221 5.651 -32.038 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.279 6.271 -32.087 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.352 5.838 -31.048 1.00 0.00 N ATOM 0 H ASN A 33 18.767 2.723 -34.715 1.00 0.00 H new ATOM 0 HA ASN A 33 20.404 3.204 -32.504 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.333 4.909 -34.057 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.796 4.609 -33.272 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.559 6.509 -30.308 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.479 5.311 -31.029 1.00 0.00 H new ATOM 521 N ASP A 34 17.340 2.188 -31.709 1.00 0.00 N ATOM 522 CA ASP A 34 16.443 1.733 -30.618 1.00 0.00 C ATOM 523 C ASP A 34 16.931 0.425 -29.967 1.00 0.00 C ATOM 524 O ASP A 34 16.683 0.199 -28.775 1.00 0.00 O ATOM 525 CB ASP A 34 14.991 1.580 -31.152 1.00 0.00 C ATOM 526 CG ASP A 34 14.286 2.934 -31.373 1.00 0.00 C ATOM 527 OD1 ASP A 34 14.826 3.790 -32.110 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.196 3.158 -30.802 1.00 0.00 O ATOM 0 H ASP A 34 16.933 2.088 -32.639 1.00 0.00 H new ATOM 0 HA ASP A 34 16.458 2.495 -29.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.011 1.029 -32.092 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.411 0.985 -30.447 1.00 0.00 H new ATOM 533 N LEU A 35 17.620 -0.420 -30.752 1.00 0.00 N ATOM 534 CA LEU A 35 18.277 -1.645 -30.234 1.00 0.00 C ATOM 535 C LEU A 35 19.428 -1.215 -29.292 1.00 0.00 C ATOM 536 O LEU A 35 19.529 -1.679 -28.148 1.00 0.00 O ATOM 537 CB LEU A 35 18.794 -2.516 -31.433 1.00 0.00 C ATOM 538 CG LEU A 35 19.160 -4.023 -31.167 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.401 -4.203 -30.282 1.00 0.00 C ATOM 540 CD2 LEU A 35 17.966 -4.783 -30.583 1.00 0.00 C ATOM 0 H LEU A 35 17.740 -0.281 -31.755 1.00 0.00 H new ATOM 0 HA LEU A 35 17.573 -2.258 -29.670 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.031 -2.493 -32.212 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.679 -2.027 -31.839 1.00 0.00 H new ATOM 0 HG LEU A 35 19.411 -4.447 -32.139 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.595 -5.266 -30.140 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.261 -3.738 -30.763 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.229 -3.733 -29.314 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.246 -5.822 -30.409 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.669 -4.324 -29.640 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.132 -4.745 -31.284 1.00 0.00 H new ATOM 552 N ILE A 36 20.261 -0.294 -29.807 1.00 0.00 N ATOM 553 CA ILE A 36 21.401 0.302 -29.073 1.00 0.00 C ATOM 554 C ILE A 36 20.918 0.974 -27.765 1.00 0.00 C ATOM 555 O ILE A 36 21.559 0.844 -26.713 1.00 0.00 O ATOM 556 CB ILE A 36 22.133 1.358 -29.992 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.661 0.675 -31.296 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.283 2.083 -29.246 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.063 1.627 -32.417 1.00 0.00 C ATOM 0 H ILE A 36 20.164 0.065 -30.757 1.00 0.00 H new ATOM 0 HA ILE A 36 22.101 -0.491 -28.810 1.00 0.00 H new ATOM 0 HB ILE A 36 21.400 2.117 -30.265 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.523 0.059 -31.040 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.889 0.003 -31.672 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.757 2.799 -29.917 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.881 2.608 -28.380 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.021 1.352 -28.916 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.414 1.052 -33.274 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.202 2.227 -32.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 23.861 2.283 -32.069 1.00 0.00 H new ATOM 571 N THR A 37 19.751 1.647 -27.859 1.00 0.00 N ATOM 572 CA THR A 37 19.126 2.369 -26.740 1.00 0.00 C ATOM 573 C THR A 37 18.710 1.391 -25.631 1.00 0.00 C ATOM 574 O THR A 37 19.086 1.582 -24.477 1.00 0.00 O ATOM 575 CB THR A 37 17.893 3.206 -27.216 1.00 0.00 C ATOM 576 OG1 THR A 37 18.325 4.172 -28.186 1.00 0.00 O ATOM 577 CG2 THR A 37 17.184 3.933 -26.057 1.00 0.00 C ATOM 0 H THR A 37 19.214 1.702 -28.725 1.00 0.00 H new ATOM 0 HA THR A 37 19.867 3.061 -26.339 1.00 0.00 H new ATOM 0 HB THR A 37 17.175 2.510 -27.650 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.733 3.710 -28.948 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.337 4.498 -26.446 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.830 3.201 -25.331 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.883 4.615 -25.573 1.00 0.00 H new ATOM 585 N TYR A 38 17.974 0.324 -26.010 1.00 0.00 N ATOM 586 CA TYR A 38 17.514 -0.721 -25.070 1.00 0.00 C ATOM 587 C TYR A 38 18.709 -1.305 -24.297 1.00 0.00 C ATOM 588 O TYR A 38 18.662 -1.434 -23.076 1.00 0.00 O ATOM 589 CB TYR A 38 16.772 -1.845 -25.840 1.00 0.00 C ATOM 590 CG TYR A 38 16.317 -3.042 -24.977 1.00 0.00 C ATOM 591 CD1 TYR A 38 15.066 -3.070 -24.366 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.140 -4.160 -24.789 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.665 -4.158 -23.603 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.735 -5.245 -24.038 1.00 0.00 C ATOM 595 CZ TYR A 38 15.500 -5.237 -23.449 1.00 0.00 C ATOM 596 OH TYR A 38 15.079 -6.321 -22.722 1.00 0.00 O ATOM 0 H TYR A 38 17.683 0.163 -26.974 1.00 0.00 H new ATOM 0 HA TYR A 38 16.823 -0.271 -24.357 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.897 -1.414 -26.326 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.425 -2.215 -26.630 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.397 -2.231 -24.488 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.119 -4.173 -25.245 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.694 -4.156 -23.130 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.389 -6.096 -23.916 1.00 0.00 H new ATOM 0 HH TYR A 38 15.785 -7.000 -22.709 1.00 0.00 H new ATOM 606 N LEU A 39 19.778 -1.627 -25.036 1.00 0.00 N ATOM 607 CA LEU A 39 21.002 -2.222 -24.468 1.00 0.00 C ATOM 608 C LEU A 39 21.669 -1.278 -23.442 1.00 0.00 C ATOM 609 O LEU A 39 22.018 -1.705 -22.360 1.00 0.00 O ATOM 610 CB LEU A 39 21.989 -2.619 -25.611 1.00 0.00 C ATOM 611 CG LEU A 39 21.856 -4.079 -26.182 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.395 -4.499 -26.435 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.685 -4.231 -27.467 1.00 0.00 C ATOM 0 H LEU A 39 19.822 -1.484 -26.045 1.00 0.00 H new ATOM 0 HA LEU A 39 20.724 -3.127 -23.928 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.856 -1.918 -26.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.007 -2.489 -25.243 1.00 0.00 H new ATOM 0 HG LEU A 39 22.246 -4.748 -25.415 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.371 -5.515 -26.828 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.838 -4.459 -25.499 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.941 -3.820 -27.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.582 -5.247 -27.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.328 -3.524 -28.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.734 -4.030 -27.249 1.00 0.00 H new ATOM 625 N GLN A 40 21.813 0.016 -23.772 1.00 0.00 N ATOM 626 CA GLN A 40 22.479 0.988 -22.863 1.00 0.00 C ATOM 627 C GLN A 40 21.568 1.427 -21.707 1.00 0.00 C ATOM 628 O GLN A 40 22.048 1.984 -20.716 1.00 0.00 O ATOM 629 CB GLN A 40 23.039 2.194 -23.653 1.00 0.00 C ATOM 630 CG GLN A 40 21.988 3.049 -24.375 1.00 0.00 C ATOM 631 CD GLN A 40 22.558 3.882 -25.525 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.522 3.320 -26.252 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.090 4.992 -25.798 1.00 0.00 N flip ATOM 0 H GLN A 40 21.484 0.419 -24.650 1.00 0.00 H new ATOM 0 HA GLN A 40 23.324 0.475 -22.404 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.593 2.833 -22.965 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.752 1.825 -24.390 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.206 2.397 -24.763 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.517 3.716 -23.653 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.352 5.391 -25.218 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.442 5.510 -26.603 1.00 0.00 H new ATOM 642 N LYS A 41 20.250 1.207 -21.847 1.00 0.00 N ATOM 643 CA LYS A 41 19.295 1.438 -20.751 1.00 0.00 C ATOM 644 C LYS A 41 19.362 0.285 -19.731 1.00 0.00 C ATOM 645 O LYS A 41 19.598 0.510 -18.538 1.00 0.00 O ATOM 646 CB LYS A 41 17.841 1.594 -21.282 1.00 0.00 C ATOM 647 CG LYS A 41 17.577 2.901 -22.063 1.00 0.00 C ATOM 648 CD LYS A 41 16.090 3.076 -22.461 1.00 0.00 C ATOM 649 CE LYS A 41 15.161 3.191 -21.237 1.00 0.00 C ATOM 650 NZ LYS A 41 15.525 4.340 -20.364 1.00 0.00 N ATOM 0 H LYS A 41 19.822 0.869 -22.709 1.00 0.00 H new ATOM 0 HA LYS A 41 19.576 2.370 -20.260 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.612 0.747 -21.929 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.153 1.546 -20.438 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.887 3.751 -21.455 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.192 2.911 -22.963 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.985 3.968 -23.078 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.778 2.228 -23.071 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.131 3.304 -21.574 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.208 2.268 -20.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.781 4.484 -19.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.428 4.141 -19.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.621 5.199 -20.943 1.00 0.00 H new ATOM 664 N ASN A 42 19.175 -0.950 -20.228 1.00 0.00 N ATOM 665 CA ASN A 42 19.013 -2.145 -19.382 1.00 0.00 C ATOM 666 C ASN A 42 20.371 -2.691 -18.872 1.00 0.00 C ATOM 667 O ASN A 42 20.514 -2.966 -17.675 1.00 0.00 O ATOM 668 CB ASN A 42 18.228 -3.244 -20.165 1.00 0.00 C ATOM 669 CG ASN A 42 16.737 -2.924 -20.337 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.914 -3.252 -19.480 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.370 -2.287 -21.439 1.00 0.00 N ATOM 0 H ASN A 42 19.132 -1.148 -21.228 1.00 0.00 H new ATOM 0 HA ASN A 42 18.442 -1.856 -18.500 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.680 -3.372 -21.149 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.330 -4.195 -19.642 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.388 -2.058 -21.592 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.069 -2.026 -22.134 1.00 0.00 H new ATOM 678 N ALA A 43 21.363 -2.809 -19.772 1.00 0.00 N ATOM 679 CA ALA A 43 22.667 -3.452 -19.460 1.00 0.00 C ATOM 680 C ALA A 43 23.593 -2.552 -18.625 1.00 0.00 C ATOM 681 O ALA A 43 23.409 -1.329 -18.556 1.00 0.00 O ATOM 682 CB ALA A 43 23.389 -3.864 -20.754 1.00 0.00 C ATOM 0 H ALA A 43 21.292 -2.467 -20.730 1.00 0.00 H new ATOM 0 HA ALA A 43 22.438 -4.334 -18.862 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.341 -4.333 -20.506 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.770 -4.570 -21.307 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.568 -2.981 -21.368 1.00 0.00 H new ATOM 688 N ASP A 44 24.602 -3.198 -18.012 1.00 0.00 N ATOM 689 CA ASP A 44 25.680 -2.524 -17.270 1.00 0.00 C ATOM 690 C ASP A 44 26.647 -1.844 -18.256 1.00 0.00 C ATOM 691 O ASP A 44 26.754 -2.265 -19.413 1.00 0.00 O ATOM 692 CB ASP A 44 26.459 -3.546 -16.399 1.00 0.00 C ATOM 693 CG ASP A 44 25.559 -4.368 -15.454 1.00 0.00 C ATOM 694 OD1 ASP A 44 25.064 -5.439 -15.870 1.00 0.00 O ATOM 695 OD2 ASP A 44 25.334 -3.944 -14.300 1.00 0.00 O ATOM 0 H ASP A 44 24.691 -4.214 -18.019 1.00 0.00 H new ATOM 0 HA ASP A 44 25.236 -1.771 -16.619 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.002 -4.228 -17.053 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.202 -3.013 -15.806 1.00 0.00 H new ATOM 700 N ALA A 45 27.391 -0.840 -17.765 1.00 0.00 N ATOM 701 CA ALA A 45 28.317 -0.030 -18.592 1.00 0.00 C ATOM 702 C ALA A 45 29.393 -0.903 -19.282 1.00 0.00 C ATOM 703 O ALA A 45 29.835 -0.595 -20.394 1.00 0.00 O ATOM 704 CB ALA A 45 28.970 1.062 -17.731 1.00 0.00 C ATOM 0 H ALA A 45 27.372 -0.562 -16.784 1.00 0.00 H new ATOM 0 HA ALA A 45 27.734 0.440 -19.384 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.649 1.653 -18.346 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.197 1.710 -17.318 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.528 0.599 -16.917 1.00 0.00 H new ATOM 710 N ALA A 46 29.766 -2.008 -18.604 1.00 0.00 N ATOM 711 CA ALA A 46 30.732 -3.007 -19.112 1.00 0.00 C ATOM 712 C ALA A 46 30.289 -3.608 -20.464 1.00 0.00 C ATOM 713 O ALA A 46 31.108 -3.786 -21.373 1.00 0.00 O ATOM 714 CB ALA A 46 30.909 -4.129 -18.078 1.00 0.00 C ATOM 0 H ALA A 46 29.402 -2.235 -17.679 1.00 0.00 H new ATOM 0 HA ALA A 46 31.681 -2.496 -19.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.621 -4.863 -18.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.282 -3.708 -17.145 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.949 -4.614 -17.899 1.00 0.00 H new ATOM 720 N PHE A 47 28.981 -3.898 -20.571 1.00 0.00 N ATOM 721 CA PHE A 47 28.381 -4.566 -21.744 1.00 0.00 C ATOM 722 C PHE A 47 28.511 -3.677 -22.996 1.00 0.00 C ATOM 723 O PHE A 47 28.916 -4.137 -24.070 1.00 0.00 O ATOM 724 CB PHE A 47 26.893 -4.884 -21.443 1.00 0.00 C ATOM 725 CG PHE A 47 26.212 -5.832 -22.431 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.327 -7.212 -22.275 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.456 -5.352 -23.506 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.717 -8.079 -23.157 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.847 -6.225 -24.389 1.00 0.00 C ATOM 730 CZ PHE A 47 24.982 -7.587 -24.212 1.00 0.00 C ATOM 0 H PHE A 47 28.304 -3.675 -19.842 1.00 0.00 H new ATOM 0 HA PHE A 47 28.911 -5.498 -21.943 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.826 -5.317 -20.445 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.336 -3.947 -21.422 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.902 -7.608 -21.451 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.347 -4.287 -23.648 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.816 -9.146 -23.020 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.267 -5.842 -25.215 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.510 -8.269 -24.903 1.00 0.00 H new ATOM 740 N LEU A 48 28.196 -2.387 -22.826 1.00 0.00 N ATOM 741 CA LEU A 48 28.268 -1.402 -23.915 1.00 0.00 C ATOM 742 C LEU A 48 29.728 -1.095 -24.278 1.00 0.00 C ATOM 743 O LEU A 48 30.039 -0.843 -25.431 1.00 0.00 O ATOM 744 CB LEU A 48 27.504 -0.101 -23.554 1.00 0.00 C ATOM 745 CG LEU A 48 25.969 -0.237 -23.278 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.271 -1.151 -24.301 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.672 -0.686 -21.840 1.00 0.00 C ATOM 0 H LEU A 48 27.886 -1.997 -21.936 1.00 0.00 H new ATOM 0 HA LEU A 48 27.783 -1.839 -24.788 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.971 0.333 -22.670 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.641 0.610 -24.368 1.00 0.00 H new ATOM 0 HG LEU A 48 25.552 0.763 -23.398 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.208 -1.214 -24.067 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.399 -0.740 -25.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.711 -2.147 -24.259 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.594 -0.765 -21.699 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.134 -1.656 -21.659 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.077 0.045 -21.140 1.00 0.00 H new ATOM 759 N ARG A 49 30.622 -1.129 -23.286 1.00 0.00 N ATOM 760 CA ARG A 49 32.077 -0.995 -23.535 1.00 0.00 C ATOM 761 C ARG A 49 32.629 -2.235 -24.277 1.00 0.00 C ATOM 762 O ARG A 49 33.627 -2.137 -24.995 1.00 0.00 O ATOM 763 CB ARG A 49 32.842 -0.751 -22.209 1.00 0.00 C ATOM 764 CG ARG A 49 32.648 0.662 -21.610 1.00 0.00 C ATOM 765 CD ARG A 49 33.396 0.860 -20.275 1.00 0.00 C ATOM 766 NE ARG A 49 34.856 0.689 -20.434 1.00 0.00 N ATOM 767 CZ ARG A 49 35.770 0.707 -19.446 1.00 0.00 C ATOM 768 NH1 ARG A 49 35.415 0.897 -18.182 1.00 0.00 N ATOM 769 NH2 ARG A 49 37.047 0.521 -19.747 1.00 0.00 N ATOM 0 H ARG A 49 30.374 -1.247 -22.304 1.00 0.00 H new ATOM 0 HA ARG A 49 32.232 -0.128 -24.177 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.519 -1.490 -21.476 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.905 -0.916 -22.382 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.995 1.405 -22.328 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.584 0.841 -21.454 1.00 0.00 H new ATOM 0 HD2 ARG A 49 33.187 1.856 -19.885 1.00 0.00 H new ATOM 0 HD3 ARG A 49 33.024 0.146 -19.540 1.00 0.00 H new ATOM 0 HE ARG A 49 35.203 0.544 -21.382 1.00 0.00 H new ATOM 0 HH11 ARG A 49 34.433 1.033 -17.943 1.00 0.00 H new ATOM 0 HH12 ARG A 49 36.124 0.907 -17.449 1.00 0.00 H new ATOM 0 HH21 ARG A 49 37.325 0.367 -20.716 1.00 0.00 H new ATOM 0 HH22 ARG A 49 37.752 0.532 -19.010 1.00 0.00 H new ATOM 783 N HIS A 50 31.960 -3.392 -24.104 1.00 0.00 N ATOM 784 CA HIS A 50 32.326 -4.648 -24.795 1.00 0.00 C ATOM 785 C HIS A 50 31.880 -4.622 -26.269 1.00 0.00 C ATOM 786 O HIS A 50 32.573 -5.148 -27.142 1.00 0.00 O ATOM 787 CB HIS A 50 31.709 -5.876 -24.071 1.00 0.00 C ATOM 788 CG HIS A 50 31.939 -7.186 -24.782 1.00 0.00 C ATOM 789 ND1 HIS A 50 30.933 -7.896 -25.396 1.00 0.00 N ATOM 790 CD2 HIS A 50 33.076 -7.881 -25.021 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.440 -8.957 -25.989 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.734 -8.974 -25.768 1.00 0.00 N ATOM 0 H HIS A 50 31.155 -3.484 -23.485 1.00 0.00 H new ATOM 0 HA HIS A 50 33.412 -4.735 -24.767 1.00 0.00 H new ATOM 0 HB2 HIS A 50 32.128 -5.941 -23.067 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.636 -5.718 -23.960 1.00 0.00 H new ATOM 0 HD1 HIS A 50 29.946 -7.640 -25.392 1.00 0.00 H new ATOM 0 HD2 HIS A 50 34.069 -7.621 -24.684 1.00 0.00 H new ATOM 0 HE1 HIS A 50 30.886 -9.688 -26.559 1.00 0.00 H new ATOM 801 N TRP A 51 30.699 -4.044 -26.533 1.00 0.00 N ATOM 802 CA TRP A 51 30.126 -3.992 -27.898 1.00 0.00 C ATOM 803 C TRP A 51 30.348 -2.625 -28.579 1.00 0.00 C ATOM 804 O TRP A 51 29.826 -2.391 -29.676 1.00 0.00 O ATOM 805 CB TRP A 51 28.621 -4.374 -27.844 1.00 0.00 C ATOM 806 CG TRP A 51 28.387 -5.802 -27.410 1.00 0.00 C ATOM 807 CD1 TRP A 51 27.973 -6.243 -26.184 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.579 -6.972 -28.211 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.888 -7.610 -26.181 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.253 -8.080 -27.412 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.986 -7.186 -29.531 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.330 -9.385 -27.887 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.060 -8.477 -30.002 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.735 -9.562 -29.180 1.00 0.00 C ATOM 0 H TRP A 51 30.116 -3.603 -25.821 1.00 0.00 H new ATOM 0 HA TRP A 51 30.652 -4.719 -28.517 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.106 -3.703 -27.156 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.178 -4.223 -28.829 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.746 -5.607 -25.341 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.599 -8.184 -25.389 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.238 -6.353 -30.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.079 -10.226 -27.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.373 -8.655 -31.020 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.806 -10.564 -29.577 1.00 0.00 H new ATOM 825 N LYS A 52 31.130 -1.740 -27.911 1.00 0.00 N ATOM 826 CA LYS A 52 31.497 -0.381 -28.414 1.00 0.00 C ATOM 827 C LYS A 52 30.248 0.528 -28.560 1.00 0.00 C ATOM 828 O LYS A 52 30.245 1.491 -29.330 1.00 0.00 O ATOM 829 CB LYS A 52 32.293 -0.455 -29.758 1.00 0.00 C ATOM 830 CG LYS A 52 33.702 -1.107 -29.721 1.00 0.00 C ATOM 831 CD LYS A 52 34.836 -0.164 -29.215 1.00 0.00 C ATOM 832 CE LYS A 52 34.934 -0.068 -27.683 1.00 0.00 C ATOM 833 NZ LYS A 52 35.327 -1.366 -27.075 1.00 0.00 N ATOM 0 H LYS A 52 31.531 -1.947 -26.996 1.00 0.00 H new ATOM 0 HA LYS A 52 32.152 0.067 -27.667 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.687 -1.004 -30.478 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.402 0.560 -30.141 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.665 -1.987 -29.079 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.955 -1.454 -30.723 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.790 -0.516 -29.608 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.673 0.834 -29.621 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.663 0.696 -27.412 1.00 0.00 H new ATOM 0 HE3 LYS A 52 33.974 0.249 -27.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 34.568 -1.699 -26.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 35.488 -2.067 -27.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.201 -1.241 -26.525 1.00 0.00 H new ATOM 847 N LEU A 53 29.193 0.210 -27.787 1.00 0.00 N ATOM 848 CA LEU A 53 27.949 1.004 -27.724 1.00 0.00 C ATOM 849 C LEU A 53 28.026 2.048 -26.570 1.00 0.00 C ATOM 850 O LEU A 53 27.010 2.642 -26.193 1.00 0.00 O ATOM 851 CB LEU A 53 26.734 0.060 -27.504 1.00 0.00 C ATOM 852 CG LEU A 53 26.703 -1.270 -28.324 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.540 -2.154 -27.866 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.647 -1.038 -29.849 1.00 0.00 C ATOM 0 H LEU A 53 29.179 -0.612 -27.183 1.00 0.00 H new ATOM 0 HA LEU A 53 27.826 1.537 -28.667 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.692 -0.195 -26.445 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.827 0.619 -27.733 1.00 0.00 H new ATOM 0 HG LEU A 53 27.644 -1.784 -28.125 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.533 -3.076 -28.447 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.658 -2.392 -26.809 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.599 -1.624 -28.015 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.628 -1.999 -30.363 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.748 -0.475 -30.099 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.526 -0.476 -30.164 1.00 0.00 H new ATOM 866 N THR A 54 29.235 2.232 -26.001 1.00 0.00 N ATOM 867 CA THR A 54 29.495 3.166 -24.889 1.00 0.00 C ATOM 868 C THR A 54 29.644 4.645 -25.353 1.00 0.00 C ATOM 869 O THR A 54 29.686 5.554 -24.508 1.00 0.00 O ATOM 870 CB THR A 54 30.778 2.698 -24.112 1.00 0.00 C ATOM 871 OG1 THR A 54 31.054 3.557 -22.997 1.00 0.00 O ATOM 872 CG2 THR A 54 32.021 2.620 -25.021 1.00 0.00 C ATOM 0 H THR A 54 30.068 1.729 -26.306 1.00 0.00 H new ATOM 0 HA THR A 54 28.626 3.144 -24.231 1.00 0.00 H new ATOM 0 HB THR A 54 30.562 1.694 -23.748 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.661 4.440 -23.159 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.880 2.292 -24.436 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.838 1.909 -25.827 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.225 3.604 -25.444 1.00 0.00 H new ATOM 880 N GLY A 55 29.710 4.884 -26.680 1.00 0.00 N ATOM 881 CA GLY A 55 29.922 6.243 -27.223 1.00 0.00 C ATOM 882 C GLY A 55 28.623 7.013 -27.481 1.00 0.00 C ATOM 883 O GLY A 55 27.667 6.908 -26.704 1.00 0.00 O ATOM 0 H GLY A 55 29.620 4.159 -27.391 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.538 6.811 -26.526 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.481 6.169 -28.156 1.00 0.00 H new ATOM 887 N THR A 56 28.596 7.805 -28.570 1.00 0.00 N ATOM 888 CA THR A 56 27.392 8.530 -29.027 1.00 0.00 C ATOM 889 C THR A 56 26.652 7.679 -30.079 1.00 0.00 C ATOM 890 O THR A 56 27.279 7.202 -31.033 1.00 0.00 O ATOM 891 CB THR A 56 27.746 9.950 -29.613 1.00 0.00 C ATOM 892 OG1 THR A 56 26.572 10.570 -30.168 1.00 0.00 O ATOM 893 CG2 THR A 56 28.865 9.902 -30.678 1.00 0.00 C ATOM 0 H THR A 56 29.412 7.961 -29.161 1.00 0.00 H new ATOM 0 HA THR A 56 26.745 8.694 -28.165 1.00 0.00 H new ATOM 0 HB THR A 56 28.121 10.544 -28.780 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.806 11.451 -30.527 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.063 10.910 -31.043 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.772 9.492 -30.234 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.550 9.271 -31.509 1.00 0.00 H new ATOM 901 N ASN A 57 25.317 7.510 -29.899 1.00 0.00 N ATOM 902 CA ASN A 57 24.468 6.599 -30.726 1.00 0.00 C ATOM 903 C ASN A 57 24.587 6.853 -32.233 1.00 0.00 C ATOM 904 O ASN A 57 24.339 5.939 -33.015 1.00 0.00 O ATOM 905 CB ASN A 57 22.976 6.654 -30.285 1.00 0.00 C ATOM 906 CG ASN A 57 22.682 5.852 -29.019 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.540 5.705 -28.148 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.470 5.310 -28.918 1.00 0.00 N ATOM 0 H ASN A 57 24.793 8.001 -29.175 1.00 0.00 H new ATOM 0 HA ASN A 57 24.855 5.596 -30.545 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.693 7.694 -30.120 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.352 6.278 -31.096 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.227 4.752 -28.099 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.784 5.453 -29.659 1.00 0.00 H new ATOM 915 N LYS A 58 24.960 8.083 -32.627 1.00 0.00 N ATOM 916 CA LYS A 58 25.198 8.427 -34.039 1.00 0.00 C ATOM 917 C LYS A 58 26.391 7.613 -34.586 1.00 0.00 C ATOM 918 O LYS A 58 26.229 6.805 -35.506 1.00 0.00 O ATOM 919 CB LYS A 58 25.448 9.955 -34.182 1.00 0.00 C ATOM 920 CG LYS A 58 25.663 10.436 -35.639 1.00 0.00 C ATOM 921 CD LYS A 58 25.661 11.977 -35.783 1.00 0.00 C ATOM 922 CE LYS A 58 26.781 12.672 -34.984 1.00 0.00 C ATOM 923 NZ LYS A 58 26.685 14.153 -35.066 1.00 0.00 N ATOM 0 H LYS A 58 25.104 8.860 -31.982 1.00 0.00 H new ATOM 0 HA LYS A 58 24.315 8.173 -34.626 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.599 10.491 -33.757 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.323 10.224 -33.591 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.612 10.045 -36.007 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.880 10.018 -36.271 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.764 12.235 -36.837 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.697 12.363 -35.453 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.728 12.362 -33.940 1.00 0.00 H new ATOM 0 HE3 LYS A 58 27.751 12.350 -35.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.456 14.582 -34.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.761 14.451 -36.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.770 14.463 -34.681 1.00 0.00 H new ATOM 937 N SER A 59 27.558 7.748 -33.934 1.00 0.00 N ATOM 938 CA SER A 59 28.788 7.041 -34.350 1.00 0.00 C ATOM 939 C SER A 59 28.648 5.524 -34.123 1.00 0.00 C ATOM 940 O SER A 59 29.274 4.728 -34.826 1.00 0.00 O ATOM 941 CB SER A 59 30.009 7.595 -33.587 1.00 0.00 C ATOM 942 OG SER A 59 31.218 6.956 -33.976 1.00 0.00 O ATOM 0 H SER A 59 27.679 8.342 -33.113 1.00 0.00 H new ATOM 0 HA SER A 59 28.940 7.211 -35.416 1.00 0.00 H new ATOM 0 HB2 SER A 59 30.092 8.667 -33.766 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.858 7.462 -32.516 1.00 0.00 H new ATOM 0 HG SER A 59 31.966 7.337 -33.471 1.00 0.00 H new ATOM 948 N ILE A 60 27.802 5.137 -33.155 1.00 0.00 N ATOM 949 CA ILE A 60 27.538 3.729 -32.854 1.00 0.00 C ATOM 950 C ILE A 60 26.768 3.063 -34.017 1.00 0.00 C ATOM 951 O ILE A 60 27.159 2.011 -34.468 1.00 0.00 O ATOM 952 CB ILE A 60 26.754 3.561 -31.506 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.563 4.141 -30.303 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.417 2.082 -31.247 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.767 4.243 -29.008 1.00 0.00 C ATOM 0 H ILE A 60 27.287 5.790 -32.565 1.00 0.00 H new ATOM 0 HA ILE A 60 28.500 3.230 -32.738 1.00 0.00 H new ATOM 0 HB ILE A 60 25.824 4.122 -31.598 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.437 3.513 -30.131 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.930 5.132 -30.570 1.00 0.00 H new ATOM 0 HG21 ILE A 60 25.874 1.992 -30.306 1.00 0.00 H new ATOM 0 HG22 ILE A 60 25.800 1.702 -32.061 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.339 1.503 -31.190 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.401 4.655 -28.223 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.907 4.896 -29.160 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.422 3.252 -28.714 1.00 0.00 H new ATOM 967 N ARG A 61 25.687 3.683 -34.517 1.00 0.00 N ATOM 968 CA ARG A 61 24.906 3.101 -35.646 1.00 0.00 C ATOM 969 C ARG A 61 25.669 3.222 -36.988 1.00 0.00 C ATOM 970 O ARG A 61 25.352 2.511 -37.945 1.00 0.00 O ATOM 971 CB ARG A 61 23.486 3.734 -35.747 1.00 0.00 C ATOM 972 CG ARG A 61 23.465 5.261 -35.957 1.00 0.00 C ATOM 973 CD ARG A 61 22.040 5.839 -36.028 1.00 0.00 C ATOM 974 NE ARG A 61 21.354 5.470 -37.286 1.00 0.00 N ATOM 975 CZ ARG A 61 20.167 5.946 -37.695 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.459 6.774 -36.938 1.00 0.00 N ATOM 977 NH2 ARG A 61 19.696 5.583 -38.876 1.00 0.00 N ATOM 0 H ARG A 61 25.330 4.574 -34.171 1.00 0.00 H new ATOM 0 HA ARG A 61 24.778 2.039 -35.434 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.952 3.262 -36.572 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.935 3.500 -34.836 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.006 5.742 -35.142 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.996 5.503 -36.878 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.460 5.478 -35.179 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.085 6.925 -35.944 1.00 0.00 H new ATOM 0 HE ARG A 61 21.822 4.798 -37.894 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.814 7.061 -36.026 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.560 7.124 -37.268 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.233 4.948 -39.466 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.795 5.938 -39.197 1.00 0.00 H new ATOM 991 N LYS A 62 26.664 4.132 -37.053 1.00 0.00 N ATOM 992 CA LYS A 62 27.525 4.309 -38.250 1.00 0.00 C ATOM 993 C LYS A 62 28.688 3.277 -38.300 1.00 0.00 C ATOM 994 O LYS A 62 29.038 2.793 -39.382 1.00 0.00 O ATOM 995 CB LYS A 62 28.084 5.760 -38.285 1.00 0.00 C ATOM 996 CG LYS A 62 26.996 6.844 -38.475 1.00 0.00 C ATOM 997 CD LYS A 62 27.541 8.288 -38.338 1.00 0.00 C ATOM 998 CE LYS A 62 28.468 8.695 -39.496 1.00 0.00 C ATOM 999 NZ LYS A 62 27.755 8.712 -40.803 1.00 0.00 N ATOM 0 H LYS A 62 26.895 4.762 -36.285 1.00 0.00 H new ATOM 0 HA LYS A 62 26.907 4.133 -39.131 1.00 0.00 H new ATOM 0 HB2 LYS A 62 28.620 5.955 -37.356 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.809 5.841 -39.095 1.00 0.00 H new ATOM 0 HG2 LYS A 62 26.543 6.726 -39.459 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.206 6.690 -37.740 1.00 0.00 H new ATOM 0 HD2 LYS A 62 26.703 8.983 -38.290 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.084 8.377 -37.397 1.00 0.00 H new ATOM 0 HE2 LYS A 62 28.884 9.683 -39.297 1.00 0.00 H new ATOM 0 HE3 LYS A 62 29.307 8.001 -39.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 28.363 9.150 -41.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 27.528 7.738 -41.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 26.876 9.260 -40.712 1.00 0.00 H new ATOM 1013 N ASN A 63 29.274 2.950 -37.132 1.00 0.00 N ATOM 1014 CA ASN A 63 30.490 2.080 -37.044 1.00 0.00 C ATOM 1015 C ASN A 63 30.143 0.635 -36.631 1.00 0.00 C ATOM 1016 O ASN A 63 30.863 -0.311 -36.975 1.00 0.00 O ATOM 1017 CB ASN A 63 31.518 2.690 -36.051 1.00 0.00 C ATOM 1018 CG ASN A 63 32.251 3.909 -36.622 1.00 0.00 C ATOM 1019 OD1 ASN A 63 33.308 3.771 -37.241 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.705 5.103 -36.444 1.00 0.00 N ATOM 0 H ASN A 63 28.932 3.271 -36.226 1.00 0.00 H new ATOM 0 HA ASN A 63 30.931 2.037 -38.040 1.00 0.00 H new ATOM 0 HB2 ASN A 63 31.003 2.979 -35.135 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.249 1.928 -35.779 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.160 5.934 -36.823 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.830 5.192 -35.928 1.00 0.00 H new ATOM 1027 N ARG A 64 29.068 0.481 -35.850 1.00 0.00 N ATOM 1028 CA ARG A 64 28.574 -0.829 -35.385 1.00 0.00 C ATOM 1029 C ARG A 64 27.387 -1.250 -36.256 1.00 0.00 C ATOM 1030 O ARG A 64 26.311 -0.635 -36.211 1.00 0.00 O ATOM 1031 CB ARG A 64 28.169 -0.785 -33.883 1.00 0.00 C ATOM 1032 CG ARG A 64 29.279 -0.298 -32.919 1.00 0.00 C ATOM 1033 CD ARG A 64 30.453 -1.295 -32.774 1.00 0.00 C ATOM 1034 NE ARG A 64 31.284 -1.422 -33.988 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.231 -2.350 -34.182 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.546 -3.227 -33.229 1.00 0.00 N ATOM 1037 NH2 ARG A 64 32.868 -2.393 -35.341 1.00 0.00 N ATOM 0 H ARG A 64 28.508 1.266 -35.518 1.00 0.00 H new ATOM 0 HA ARG A 64 29.375 -1.562 -35.478 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.303 -0.132 -33.775 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.856 -1.783 -33.577 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.666 0.657 -33.276 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.842 -0.118 -31.937 1.00 0.00 H new ATOM 0 HD2 ARG A 64 31.085 -0.978 -31.944 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.054 -2.276 -32.515 1.00 0.00 H new ATOM 0 HE ARG A 64 31.124 -0.750 -34.739 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.063 -3.200 -32.331 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.270 -3.925 -33.398 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.636 -1.724 -36.075 1.00 0.00 H new ATOM 0 HH22 ARG A 64 33.591 -3.095 -35.500 1.00 0.00 H new ATOM 1051 N ASN A 65 27.617 -2.275 -37.079 1.00 0.00 N ATOM 1052 CA ASN A 65 26.600 -2.828 -37.976 1.00 0.00 C ATOM 1053 C ASN A 65 25.627 -3.735 -37.217 1.00 0.00 C ATOM 1054 O ASN A 65 25.760 -3.932 -36.001 1.00 0.00 O ATOM 1055 CB ASN A 65 27.284 -3.583 -39.139 1.00 0.00 C ATOM 1056 CG ASN A 65 28.160 -2.663 -39.997 1.00 0.00 C ATOM 1057 OD1 ASN A 65 29.351 -2.499 -39.733 1.00 0.00 O ATOM 1058 ND2 ASN A 65 27.568 -2.036 -41.008 1.00 0.00 N ATOM 0 H ASN A 65 28.519 -2.747 -37.142 1.00 0.00 H new ATOM 0 HA ASN A 65 26.015 -2.008 -38.391 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.896 -4.390 -38.735 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.522 -4.044 -39.767 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.103 -1.395 -41.594 1.00 0.00 H new ATOM 0 HD22 ASN A 65 26.579 -2.196 -41.198 1.00 0.00 H new ATOM 1065 N CYS A 66 24.657 -4.286 -37.964 1.00 0.00 N ATOM 1066 CA CYS A 66 23.599 -5.140 -37.419 1.00 0.00 C ATOM 1067 C CYS A 66 24.188 -6.321 -36.631 1.00 0.00 C ATOM 1068 O CYS A 66 23.730 -6.600 -35.539 1.00 0.00 O ATOM 1069 CB CYS A 66 22.697 -5.635 -38.565 1.00 0.00 C ATOM 1070 SG CYS A 66 23.596 -6.452 -39.907 1.00 0.00 S ATOM 0 H CYS A 66 24.588 -4.148 -38.972 1.00 0.00 H new ATOM 0 HA CYS A 66 22.999 -4.555 -36.722 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.960 -6.328 -38.160 1.00 0.00 H new ATOM 0 HB3 CYS A 66 22.147 -4.787 -38.973 1.00 0.00 H new ATOM 0 HG CYS A 66 22.756 -6.835 -40.822 1.00 0.00 H new ATOM 1076 N SER A 67 25.262 -6.930 -37.182 1.00 0.00 N ATOM 1077 CA SER A 67 25.985 -8.081 -36.579 1.00 0.00 C ATOM 1078 C SER A 67 26.308 -7.864 -35.080 1.00 0.00 C ATOM 1079 O SER A 67 26.069 -8.749 -34.244 1.00 0.00 O ATOM 1080 CB SER A 67 27.291 -8.321 -37.367 1.00 0.00 C ATOM 1081 OG SER A 67 27.031 -8.417 -38.760 1.00 0.00 O ATOM 0 H SER A 67 25.660 -6.633 -38.073 1.00 0.00 H new ATOM 0 HA SER A 67 25.333 -8.952 -36.639 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.989 -7.506 -37.179 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.768 -9.237 -37.018 1.00 0.00 H new ATOM 0 HG SER A 67 27.872 -8.567 -39.240 1.00 0.00 H new ATOM 1087 N GLN A 68 26.795 -6.648 -34.771 1.00 0.00 N ATOM 1088 CA GLN A 68 27.163 -6.235 -33.403 1.00 0.00 C ATOM 1089 C GLN A 68 25.932 -6.209 -32.488 1.00 0.00 C ATOM 1090 O GLN A 68 25.967 -6.719 -31.374 1.00 0.00 O ATOM 1091 CB GLN A 68 27.832 -4.831 -33.436 1.00 0.00 C ATOM 1092 CG GLN A 68 29.167 -4.783 -34.206 1.00 0.00 C ATOM 1093 CD GLN A 68 30.228 -5.736 -33.637 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.234 -5.929 -32.313 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.058 -6.272 -34.374 1.00 0.00 N flip ATOM 0 H GLN A 68 26.945 -5.919 -35.468 1.00 0.00 H new ATOM 0 HA GLN A 68 27.870 -6.962 -33.003 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.139 -4.122 -33.889 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.004 -4.499 -32.412 1.00 0.00 H new ATOM 0 HG2 GLN A 68 28.985 -5.034 -35.251 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.554 -3.764 -34.186 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.029 -6.106 -35.380 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.774 -6.881 -33.978 1.00 0.00 H new ATOM 1104 N LEU A 69 24.855 -5.623 -33.015 1.00 0.00 N ATOM 1105 CA LEU A 69 23.590 -5.410 -32.297 1.00 0.00 C ATOM 1106 C LEU A 69 22.824 -6.738 -32.063 1.00 0.00 C ATOM 1107 O LEU A 69 22.202 -6.911 -31.015 1.00 0.00 O ATOM 1108 CB LEU A 69 22.718 -4.398 -33.098 1.00 0.00 C ATOM 1109 CG LEU A 69 23.061 -2.873 -32.953 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.529 -2.539 -33.295 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.103 -2.030 -33.814 1.00 0.00 C ATOM 0 H LEU A 69 24.834 -5.275 -33.973 1.00 0.00 H new ATOM 0 HA LEU A 69 23.814 -5.003 -31.311 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.785 -4.659 -34.154 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.679 -4.539 -32.800 1.00 0.00 H new ATOM 0 HG LEU A 69 22.928 -2.623 -31.900 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.696 -1.469 -33.174 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.192 -3.088 -32.627 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.736 -2.824 -34.327 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.350 -0.974 -33.706 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.203 -2.321 -34.860 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.077 -2.198 -33.487 1.00 0.00 H new ATOM 1123 N ILE A 70 22.890 -7.671 -33.042 1.00 0.00 N ATOM 1124 CA ILE A 70 22.180 -8.970 -32.970 1.00 0.00 C ATOM 1125 C ILE A 70 22.852 -9.842 -31.908 1.00 0.00 C ATOM 1126 O ILE A 70 22.196 -10.331 -30.992 1.00 0.00 O ATOM 1127 CB ILE A 70 22.187 -9.751 -34.344 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.650 -8.864 -35.506 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.363 -11.069 -34.239 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.965 -9.382 -36.904 1.00 0.00 C ATOM 0 H ILE A 70 23.432 -7.546 -33.897 1.00 0.00 H new ATOM 0 HA ILE A 70 21.141 -8.759 -32.718 1.00 0.00 H new ATOM 0 HB ILE A 70 23.222 -10.008 -34.569 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.569 -8.771 -35.403 1.00 0.00 H new ATOM 0 HG13 ILE A 70 22.067 -7.862 -35.402 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.383 -11.588 -35.197 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.797 -11.709 -33.470 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.332 -10.833 -33.976 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.552 -8.700 -37.647 1.00 0.00 H new ATOM 0 HD12 ILE A 70 23.045 -9.447 -37.033 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.524 -10.370 -37.034 1.00 0.00 H new ATOM 1142 N ALA A 71 24.182 -10.002 -32.053 1.00 0.00 N ATOM 1143 CA ALA A 71 25.008 -10.810 -31.143 1.00 0.00 C ATOM 1144 C ALA A 71 24.935 -10.264 -29.706 1.00 0.00 C ATOM 1145 O ALA A 71 24.830 -11.029 -28.751 1.00 0.00 O ATOM 1146 CB ALA A 71 26.454 -10.862 -31.656 1.00 0.00 C ATOM 0 H ALA A 71 24.713 -9.571 -32.809 1.00 0.00 H new ATOM 0 HA ALA A 71 24.619 -11.828 -31.121 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.060 -11.462 -30.977 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.472 -11.310 -32.650 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.859 -9.851 -31.706 1.00 0.00 H new ATOM 1152 N ALA A 72 24.970 -8.924 -29.582 1.00 0.00 N ATOM 1153 CA ALA A 72 24.767 -8.226 -28.295 1.00 0.00 C ATOM 1154 C ALA A 72 23.413 -8.583 -27.645 1.00 0.00 C ATOM 1155 O ALA A 72 23.377 -9.053 -26.509 1.00 0.00 O ATOM 1156 CB ALA A 72 24.885 -6.712 -28.492 1.00 0.00 C ATOM 0 H ALA A 72 25.139 -8.295 -30.367 1.00 0.00 H new ATOM 0 HA ALA A 72 25.548 -8.562 -27.613 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.734 -6.208 -27.537 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.876 -6.471 -28.876 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.129 -6.378 -29.203 1.00 0.00 H new ATOM 1162 N TYR A 73 22.307 -8.392 -28.401 1.00 0.00 N ATOM 1163 CA TYR A 73 20.932 -8.599 -27.886 1.00 0.00 C ATOM 1164 C TYR A 73 20.712 -10.070 -27.475 1.00 0.00 C ATOM 1165 O TYR A 73 20.095 -10.352 -26.434 1.00 0.00 O ATOM 1166 CB TYR A 73 19.868 -8.168 -28.934 1.00 0.00 C ATOM 1167 CG TYR A 73 18.426 -8.199 -28.396 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.917 -7.131 -27.654 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.585 -9.304 -28.599 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.638 -7.161 -27.137 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.301 -9.332 -28.089 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.836 -8.259 -27.356 1.00 0.00 C ATOM 1173 OH TYR A 73 14.568 -8.291 -26.832 1.00 0.00 O ATOM 0 H TYR A 73 22.340 -8.093 -29.376 1.00 0.00 H new ATOM 0 HA TYR A 73 20.815 -7.971 -27.003 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.097 -7.159 -29.278 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.938 -8.824 -29.801 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.537 -6.264 -27.481 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.948 -10.149 -29.165 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.267 -6.326 -26.562 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.666 -10.188 -28.263 1.00 0.00 H new ATOM 0 HH TYR A 73 14.056 -9.009 -27.259 1.00 0.00 H new ATOM 1183 N LYS A 74 21.238 -10.996 -28.304 1.00 0.00 N ATOM 1184 CA LYS A 74 21.150 -12.440 -28.051 1.00 0.00 C ATOM 1185 C LYS A 74 21.868 -12.782 -26.744 1.00 0.00 C ATOM 1186 O LYS A 74 21.238 -13.257 -25.816 1.00 0.00 O ATOM 1187 CB LYS A 74 21.745 -13.264 -29.225 1.00 0.00 C ATOM 1188 CG LYS A 74 20.895 -13.229 -30.508 1.00 0.00 C ATOM 1189 CD LYS A 74 21.365 -14.240 -31.576 1.00 0.00 C ATOM 1190 CE LYS A 74 22.742 -13.916 -32.159 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.170 -14.939 -33.143 1.00 0.00 N ATOM 0 H LYS A 74 21.733 -10.759 -29.164 1.00 0.00 H new ATOM 0 HA LYS A 74 20.096 -12.705 -27.965 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.742 -12.887 -29.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 21.861 -14.300 -28.906 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.856 -13.436 -30.253 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.926 -12.224 -30.929 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.391 -15.236 -31.135 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.634 -14.268 -32.384 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.714 -12.938 -32.639 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.474 -13.855 -31.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.107 -14.689 -33.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.220 -15.868 -32.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.484 -14.979 -33.923 1.00 0.00 H new ATOM 1205 N ASP A 75 23.169 -12.444 -26.667 1.00 0.00 N ATOM 1206 CA ASP A 75 24.017 -12.723 -25.487 1.00 0.00 C ATOM 1207 C ASP A 75 23.489 -12.040 -24.216 1.00 0.00 C ATOM 1208 O ASP A 75 23.761 -12.511 -23.124 1.00 0.00 O ATOM 1209 CB ASP A 75 25.505 -12.328 -25.738 1.00 0.00 C ATOM 1210 CG ASP A 75 26.259 -13.363 -26.591 1.00 0.00 C ATOM 1211 OD1 ASP A 75 26.527 -14.479 -26.082 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.566 -13.094 -27.765 1.00 0.00 O ATOM 0 H ASP A 75 23.665 -11.969 -27.421 1.00 0.00 H new ATOM 0 HA ASP A 75 23.972 -13.800 -25.328 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.540 -11.359 -26.235 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.013 -12.214 -24.780 1.00 0.00 H new ATOM 1217 N PHE A 76 22.738 -10.945 -24.380 1.00 0.00 N ATOM 1218 CA PHE A 76 22.101 -10.218 -23.268 1.00 0.00 C ATOM 1219 C PHE A 76 20.960 -11.065 -22.641 1.00 0.00 C ATOM 1220 O PHE A 76 20.952 -11.361 -21.416 1.00 0.00 O ATOM 1221 CB PHE A 76 21.562 -8.860 -23.800 1.00 0.00 C ATOM 1222 CG PHE A 76 21.085 -7.914 -22.717 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.943 -7.562 -21.682 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.792 -7.387 -22.716 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.529 -6.727 -20.683 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.380 -6.537 -21.709 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.255 -6.212 -20.691 1.00 0.00 C ATOM 0 H PHE A 76 22.552 -10.533 -25.294 1.00 0.00 H new ATOM 0 HA PHE A 76 22.835 -10.031 -22.484 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.348 -8.370 -24.375 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.738 -9.053 -24.487 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.949 -7.953 -21.667 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.108 -7.647 -23.510 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.207 -6.470 -19.882 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.380 -6.129 -21.717 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.937 -5.551 -19.899 1.00 0.00 H new ATOM 1237 N CYS A 77 20.015 -11.475 -23.505 1.00 0.00 N ATOM 1238 CA CYS A 77 18.856 -12.295 -23.102 1.00 0.00 C ATOM 1239 C CYS A 77 19.311 -13.686 -22.599 1.00 0.00 C ATOM 1240 O CYS A 77 18.784 -14.200 -21.612 1.00 0.00 O ATOM 1241 CB CYS A 77 17.878 -12.428 -24.286 1.00 0.00 C ATOM 1242 SG CYS A 77 17.294 -10.845 -24.923 1.00 0.00 S ATOM 0 H CYS A 77 20.032 -11.249 -24.499 1.00 0.00 H new ATOM 0 HA CYS A 77 18.344 -11.800 -22.277 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.368 -12.975 -25.091 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.020 -13.023 -23.972 1.00 0.00 H new ATOM 0 HG CYS A 77 18.220 -10.305 -25.659 1.00 0.00 H new ATOM 1248 N GLU A 78 20.339 -14.239 -23.262 1.00 0.00 N ATOM 1249 CA GLU A 78 20.944 -15.548 -22.932 1.00 0.00 C ATOM 1250 C GLU A 78 21.800 -15.466 -21.650 1.00 0.00 C ATOM 1251 O GLU A 78 21.993 -16.472 -20.961 1.00 0.00 O ATOM 1252 CB GLU A 78 21.808 -16.036 -24.120 1.00 0.00 C ATOM 1253 CG GLU A 78 21.019 -16.323 -25.415 1.00 0.00 C ATOM 1254 CD GLU A 78 20.067 -17.524 -25.300 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.557 -18.673 -25.241 1.00 0.00 O ATOM 1256 OE2 GLU A 78 18.832 -17.333 -25.269 1.00 0.00 O ATOM 0 H GLU A 78 20.785 -13.783 -24.058 1.00 0.00 H new ATOM 0 HA GLU A 78 20.139 -16.260 -22.749 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.568 -15.284 -24.332 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.333 -16.944 -23.822 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.443 -15.437 -25.684 1.00 0.00 H new ATOM 0 HG3 GLU A 78 21.723 -16.504 -26.227 1.00 0.00 H new ATOM 1263 N HIS A 79 22.322 -14.256 -21.356 1.00 0.00 N ATOM 1264 CA HIS A 79 23.030 -13.969 -20.083 1.00 0.00 C ATOM 1265 C HIS A 79 22.056 -14.079 -18.907 1.00 0.00 C ATOM 1266 O HIS A 79 22.436 -14.516 -17.815 1.00 0.00 O ATOM 1267 CB HIS A 79 23.682 -12.557 -20.104 1.00 0.00 C ATOM 1268 CG HIS A 79 24.416 -12.162 -18.846 1.00 0.00 C ATOM 1269 ND1 HIS A 79 24.122 -11.020 -18.126 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.444 -12.755 -18.189 1.00 0.00 C ATOM 1271 CE1 HIS A 79 24.935 -10.929 -17.089 1.00 0.00 C ATOM 1272 NE2 HIS A 79 25.740 -11.968 -17.104 1.00 0.00 N ATOM 0 H HIS A 79 22.267 -13.455 -21.986 1.00 0.00 H new ATOM 0 HA HIS A 79 23.825 -14.705 -19.965 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.379 -12.510 -20.941 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.903 -11.819 -20.296 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.937 -13.674 -18.468 1.00 0.00 H new ATOM 0 HE1 HIS A 79 24.938 -10.137 -16.355 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.470 -12.159 -16.417 1.00 0.00 H new ATOM 1281 N GLY A 80 20.793 -13.676 -19.140 1.00 0.00 N ATOM 1282 CA GLY A 80 19.772 -13.782 -18.086 1.00 0.00 C ATOM 1283 C GLY A 80 19.775 -12.537 -17.227 1.00 0.00 C ATOM 1284 O GLY A 80 19.746 -12.612 -15.988 1.00 0.00 O ATOM 0 H GLY A 80 20.463 -13.285 -20.022 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.788 -13.920 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.966 -14.659 -17.468 1.00 0.00 H new ATOM 1288 N THR A 81 19.868 -11.402 -17.936 1.00 0.00 N ATOM 1289 CA THR A 81 20.110 -10.057 -17.398 1.00 0.00 C ATOM 1290 C THR A 81 19.312 -9.700 -16.119 1.00 0.00 C ATOM 1291 O THR A 81 18.174 -10.155 -15.910 1.00 0.00 O ATOM 1292 CB THR A 81 19.808 -9.005 -18.492 1.00 0.00 C ATOM 1293 OG1 THR A 81 20.092 -7.702 -17.972 1.00 0.00 O ATOM 1294 CG2 THR A 81 18.356 -9.076 -19.002 1.00 0.00 C ATOM 0 H THR A 81 19.771 -11.398 -18.951 1.00 0.00 H new ATOM 0 HA THR A 81 21.159 -10.050 -17.101 1.00 0.00 H new ATOM 0 HB THR A 81 20.445 -9.219 -19.350 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.503 -7.153 -18.672 1.00 0.00 H new ATOM 0 HG21 THR A 81 18.202 -8.316 -19.767 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.167 -10.062 -19.427 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.670 -8.901 -18.173 1.00 0.00 H new ATOM 1302 N LYS A 82 19.931 -8.832 -15.291 1.00 0.00 N ATOM 1303 CA LYS A 82 19.379 -8.381 -14.007 1.00 0.00 C ATOM 1304 C LYS A 82 18.709 -7.001 -14.149 1.00 0.00 C ATOM 1305 O LYS A 82 18.615 -6.224 -13.189 1.00 0.00 O ATOM 1306 CB LYS A 82 20.498 -8.385 -12.931 1.00 0.00 C ATOM 1307 CG LYS A 82 21.170 -9.767 -12.732 1.00 0.00 C ATOM 1308 CD LYS A 82 22.244 -9.783 -11.619 1.00 0.00 C ATOM 1309 CE LYS A 82 21.680 -9.382 -10.242 1.00 0.00 C ATOM 1310 NZ LYS A 82 22.648 -9.617 -9.142 1.00 0.00 N ATOM 0 H LYS A 82 20.841 -8.422 -15.504 1.00 0.00 H new ATOM 0 HA LYS A 82 18.599 -9.071 -13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.260 -7.658 -13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.077 -8.056 -11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.402 -10.503 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.628 -10.077 -13.671 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.678 -10.781 -11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 82 23.051 -9.102 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.403 -8.328 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.769 -9.948 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.222 -9.332 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.894 -10.627 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.508 -9.057 -9.311 1.00 0.00 H new ATOM 1324 N SER A 83 18.187 -6.743 -15.358 1.00 0.00 N ATOM 1325 CA SER A 83 17.477 -5.505 -15.710 1.00 0.00 C ATOM 1326 C SER A 83 15.981 -5.578 -15.335 1.00 0.00 C ATOM 1327 O SER A 83 15.165 -4.859 -15.920 1.00 0.00 O ATOM 1328 CB SER A 83 17.634 -5.279 -17.224 1.00 0.00 C ATOM 1329 OG SER A 83 18.995 -5.297 -17.604 1.00 0.00 O ATOM 0 H SER A 83 18.248 -7.403 -16.133 1.00 0.00 H new ATOM 0 HA SER A 83 17.906 -4.675 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.091 -6.052 -17.768 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.189 -4.323 -17.500 1.00 0.00 H new ATOM 0 HG SER A 83 19.276 -6.221 -17.771 1.00 0.00 H new ATOM 1335 N GLY A 84 15.639 -6.434 -14.351 1.00 0.00 N ATOM 1336 CA GLY A 84 14.258 -6.618 -13.921 1.00 0.00 C ATOM 1337 C GLY A 84 13.402 -7.371 -14.931 1.00 0.00 C ATOM 1338 O GLY A 84 12.208 -7.085 -15.093 1.00 0.00 O ATOM 0 H GLY A 84 16.313 -7.007 -13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.250 -7.159 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.811 -5.642 -13.734 1.00 0.00 H new ATOM 1342 N LEU A 85 14.031 -8.301 -15.661 1.00 0.00 N ATOM 1343 CA LEU A 85 13.346 -9.156 -16.645 1.00 0.00 C ATOM 1344 C LEU A 85 13.273 -10.583 -16.078 1.00 0.00 C ATOM 1345 O LEU A 85 14.138 -11.418 -16.362 1.00 0.00 O ATOM 1346 CB LEU A 85 14.091 -9.092 -18.011 1.00 0.00 C ATOM 1347 CG LEU A 85 14.264 -7.660 -18.620 1.00 0.00 C ATOM 1348 CD1 LEU A 85 15.056 -7.707 -19.939 1.00 0.00 C ATOM 1349 CD2 LEU A 85 12.900 -6.955 -18.812 1.00 0.00 C ATOM 0 H LEU A 85 15.032 -8.484 -15.587 1.00 0.00 H new ATOM 0 HA LEU A 85 12.329 -8.808 -16.826 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.079 -9.537 -17.887 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.551 -9.710 -18.728 1.00 0.00 H new ATOM 0 HG LEU A 85 14.839 -7.070 -17.907 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.160 -6.698 -20.337 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.045 -8.128 -19.755 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.525 -8.329 -20.660 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.059 -5.964 -19.236 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.278 -7.543 -19.487 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.400 -6.861 -17.848 1.00 0.00 H new ATOM 1361 N ASN A 86 12.263 -10.802 -15.202 1.00 0.00 N ATOM 1362 CA ASN A 86 12.054 -12.068 -14.445 1.00 0.00 C ATOM 1363 C ASN A 86 13.278 -12.345 -13.534 1.00 0.00 C ATOM 1364 O ASN A 86 13.775 -13.471 -13.418 1.00 0.00 O ATOM 1365 CB ASN A 86 11.731 -13.253 -15.408 1.00 0.00 C ATOM 1366 CG ASN A 86 11.111 -14.467 -14.699 1.00 0.00 C ATOM 1367 OD1 ASN A 86 11.809 -15.381 -14.264 1.00 0.00 O ATOM 1368 ND2 ASN A 86 9.788 -14.476 -14.572 1.00 0.00 N ATOM 0 H ASN A 86 11.557 -10.095 -14.996 1.00 0.00 H new ATOM 0 HA ASN A 86 11.184 -11.962 -13.797 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.047 -12.906 -16.182 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.648 -13.564 -15.909 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.326 -15.255 -14.103 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.235 -13.704 -14.943 1.00 0.00 H new ATOM 1375 N GLN A 87 13.745 -11.272 -12.882 1.00 0.00 N ATOM 1376 CA GLN A 87 14.970 -11.272 -12.056 1.00 0.00 C ATOM 1377 C GLN A 87 14.811 -10.266 -10.899 1.00 0.00 C ATOM 1378 O GLN A 87 14.053 -9.305 -11.029 1.00 0.00 O ATOM 1379 CB GLN A 87 16.190 -10.910 -12.953 1.00 0.00 C ATOM 1380 CG GLN A 87 17.555 -10.898 -12.246 1.00 0.00 C ATOM 1381 CD GLN A 87 17.997 -12.247 -11.680 1.00 0.00 C ATOM 1382 OE1 GLN A 87 17.703 -12.574 -10.533 1.00 0.00 O ATOM 1383 NE2 GLN A 87 18.694 -13.038 -12.487 1.00 0.00 N ATOM 0 H GLN A 87 13.280 -10.365 -12.911 1.00 0.00 H new ATOM 0 HA GLN A 87 15.136 -12.260 -11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.235 -11.621 -13.778 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.018 -9.926 -13.389 1.00 0.00 H new ATOM 0 HG2 GLN A 87 18.310 -10.551 -12.951 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.521 -10.173 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.919 -12.731 -13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.005 -13.953 -12.161 1.00 0.00 H new ATOM 1392 N GLY A 88 15.487 -10.520 -9.762 1.00 0.00 N ATOM 1393 CA GLY A 88 15.476 -9.595 -8.626 1.00 0.00 C ATOM 1394 C GLY A 88 16.088 -10.189 -7.359 1.00 0.00 C ATOM 1395 O GLY A 88 17.000 -11.028 -7.475 1.00 0.00 O ATOM 1396 OXT GLY A 88 15.659 -9.822 -6.244 1.00 0.00 O ATOM 0 H GLY A 88 16.046 -11.360 -9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.023 -8.692 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.448 -9.296 -8.419 1.00 0.00 H new TER 1400 GLY A 88