USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 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 95 THR OG1 : rot 160:sc= 1.46 USER MOD Set 1.2: A 128 ASN : amide:sc= 1.15 K(o=2.6,f=1.5) USER MOD Set 2.1: A 36 TYR OH : rot 172:sc= -0.0966 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.218 X(o=-0.31,f=-0.42) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.323 K(o=0.21,f=-3.3!) USER MOD Set 3.2: A 38 ASN :FLIP amide:sc= -0.116 F(o=-1.6,f=0.21) USER MOD Set 4.1: A 11 HIS : +bothHN:sc= 0.416 K(o=2.2,f=-11!) USER MOD Set 4.2: A 49 SER OG : rot 168:sc= 1.27 USER MOD Set 4.3: A 54 ASN : amide:sc= -1.28 K(o=2.2,f=-2.2!) USER MOD Set 4.4: A 93 HIS : no HE2:sc= 0.73 K(o=2.2,f=-6.1!) USER MOD Set 4.5: A 123 TYR OH : rot -50:sc= 1.11 USER MOD Set 5.1: A 2 ASN : amide:sc= -0.557 K(o=-0.94,f=-3.3!) USER MOD Set 5.2: A 3 SER OG : rot 180:sc= -0.382 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 1 GLN N :NH3+ -148:sc= 0.606 (180deg=-1.31!) USER MOD Single : A 5 GLN : amide:sc= 0.567 K(o=0.57,f=-0.00091) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0915 USER MOD Single : A 12 ASN : amide:sc= 0.442 K(o=0.44,f=-13!) USER MOD Single : A 17 GLN : amide:sc= 1.91 K(o=1.9,f=-7.3!) USER MOD Single : A 23 MET CE :methyl 170:sc= -0.628 (180deg=-0.898) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.88) USER MOD Single : A 31 SER OG : rot -49:sc= 1.25 USER MOD Single : A 35 ASN : amide:sc= 0.788 K(o=0.79,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 45 ASN : amide:sc= 0.929 K(o=0.93,f=-0.034) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 1.84 (180deg=1.3) USER MOD Single : A 63 THR OG1 : rot -150:sc= 0.00357 USER MOD Single : A 69 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.2) USER MOD Single : A 73 SER OG : rot -88:sc= 1.21 USER MOD Single : A 77 SER OG : rot -64:sc= 1.18 USER MOD Single : A 78 TYR OH : rot 130:sc= -0.0063 USER MOD Single : A 79 ASN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 80 TYR OH : rot 110:sc= 0.945 USER MOD Single : A 82 THR OG1 : rot -24:sc= 0.924 USER MOD Single : A 83 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 84 GLN : amide:sc= 0.724 K(o=0.72,f=-0.19) USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00499) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 81:sc= 0.918 USER MOD Single : A 96 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.3) USER MOD Single : A 101 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.8) USER MOD Single : A 102 SER OG : rot -75:sc= 1 USER MOD Single : A 113 ASN : amide:sc= -0.694 X(o=-0.69,f=-0.65) USER MOD Single : A 114 ASN : amide:sc= -2.43 K(o=-2.4,f=-13!) USER MOD Single : A 120 SER OG : rot -160:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0.102 K(o=0.1,f=-1) USER MOD Single : A 132 GLN : amide:sc= 0.482 K(o=0.48,f=-5.7!) USER MOD Single : A 135 TYR OH : rot 45:sc= 0.87 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -8.327 8.683 5.277 1.00 3.08 N ATOM 2 CA GLN A 1 -7.457 8.800 4.096 1.00 2.32 C ATOM 3 C GLN A 1 -6.054 8.279 4.402 1.00 2.06 C ATOM 4 O GLN A 1 -5.502 7.466 3.663 1.00 2.17 O ATOM 5 CB GLN A 1 -7.307 10.216 3.561 1.00 1.79 C ATOM 6 CG GLN A 1 -8.530 10.786 2.845 1.00 2.79 C ATOM 7 CD GLN A 1 -8.057 11.892 1.908 1.00 3.02 C ATOM 8 OE1 GLN A 1 -7.316 12.776 2.329 1.00 3.07 O ATOM 9 NE2 GLN A 1 -8.432 11.826 0.640 1.00 4.05 N ATOM 0 H1 GLN A 1 -9.306 8.508 4.971 1.00 3.08 H new ATOM 0 H2 GLN A 1 -8.003 7.892 5.870 1.00 3.08 H new ATOM 0 H3 GLN A 1 -8.288 9.566 5.826 1.00 3.08 H new ATOM 0 HA GLN A 1 -7.956 8.202 3.333 1.00 2.32 H new ATOM 0 HB2 GLN A 1 -7.056 10.874 4.393 1.00 1.79 H new ATOM 0 HB3 GLN A 1 -6.463 10.237 2.872 1.00 1.79 H new ATOM 0 HG2 GLN A 1 -9.041 10.004 2.283 1.00 2.79 H new ATOM 0 HG3 GLN A 1 -9.245 11.179 3.567 1.00 2.79 H new ATOM 0 HE21 GLN A 1 -9.049 11.076 0.329 1.00 4.05 H new ATOM 0 HE22 GLN A 1 -8.104 12.525 -0.026 1.00 4.05 H new ATOM 20 N ASN A 2 -5.428 8.844 5.431 1.00 2.19 N ATOM 21 CA ASN A 2 -4.075 8.513 5.850 1.00 2.20 C ATOM 22 C ASN A 2 -4.117 7.291 6.770 1.00 2.18 C ATOM 23 O ASN A 2 -5.202 6.855 7.150 1.00 3.78 O ATOM 24 CB ASN A 2 -3.491 9.728 6.567 1.00 2.88 C ATOM 25 CG ASN A 2 -2.039 9.529 6.978 1.00 1.95 C ATOM 26 OD1 ASN A 2 -1.272 8.880 6.271 1.00 2.57 O ATOM 27 ND2 ASN A 2 -1.658 10.056 8.128 1.00 2.40 N ATOM 0 H ASN A 2 -5.862 9.563 6.010 1.00 2.19 H new ATOM 0 HA ASN A 2 -3.446 8.267 4.994 1.00 2.20 H new ATOM 0 HB2 ASN A 2 -3.563 10.598 5.915 1.00 2.88 H new ATOM 0 HB3 ASN A 2 -4.088 9.943 7.453 1.00 2.88 H new ATOM 0 HD21 ASN A 2 -0.700 9.930 8.454 1.00 2.40 H new ATOM 0 HD22 ASN A 2 -2.322 10.589 8.689 1.00 2.40 H new ATOM 34 N SER A 3 -2.958 6.772 7.176 1.00 1.38 N ATOM 35 CA SER A 3 -2.845 5.827 8.282 1.00 1.31 C ATOM 36 C SER A 3 -3.200 4.396 7.816 1.00 1.14 C ATOM 37 O SER A 3 -3.634 4.213 6.677 1.00 1.28 O ATOM 38 CB SER A 3 -3.643 6.356 9.492 1.00 1.58 C ATOM 39 OG SER A 3 -3.681 7.778 9.500 1.00 2.56 O ATOM 0 H SER A 3 -2.064 6.999 6.741 1.00 1.38 H new ATOM 0 HA SER A 3 -1.814 5.746 8.626 1.00 1.31 H new ATOM 0 HB2 SER A 3 -4.659 5.962 9.461 1.00 1.58 H new ATOM 0 HB3 SER A 3 -3.190 5.996 10.416 1.00 1.58 H new ATOM 0 HG SER A 3 -4.194 8.087 10.276 1.00 2.56 H new ATOM 45 N PRO A 4 -2.937 3.352 8.622 1.00 1.08 N ATOM 46 CA PRO A 4 -2.864 1.985 8.124 1.00 1.06 C ATOM 47 C PRO A 4 -4.227 1.478 7.660 1.00 0.75 C ATOM 48 O PRO A 4 -4.372 0.977 6.544 1.00 0.67 O ATOM 49 CB PRO A 4 -2.286 1.148 9.269 1.00 1.27 C ATOM 50 CG PRO A 4 -2.552 1.965 10.526 1.00 1.26 C ATOM 51 CD PRO A 4 -2.553 3.406 10.022 1.00 1.21 C ATOM 0 HA PRO A 4 -2.228 1.918 7.241 1.00 1.06 H new ATOM 0 HB2 PRO A 4 -2.765 0.171 9.325 1.00 1.27 H new ATOM 0 HB3 PRO A 4 -1.219 0.973 9.130 1.00 1.27 H new ATOM 0 HG2 PRO A 4 -3.505 1.699 10.983 1.00 1.26 H new ATOM 0 HG3 PRO A 4 -1.781 1.804 11.280 1.00 1.26 H new ATOM 0 HD2 PRO A 4 -3.253 4.016 10.593 1.00 1.21 H new ATOM 0 HD3 PRO A 4 -1.568 3.858 10.137 1.00 1.21 H new ATOM 59 N GLN A 5 -5.231 1.622 8.527 1.00 0.61 N ATOM 60 CA GLN A 5 -6.595 1.191 8.268 1.00 0.45 C ATOM 61 C GLN A 5 -7.091 1.658 6.904 1.00 0.39 C ATOM 62 O GLN A 5 -7.840 0.915 6.283 1.00 0.70 O ATOM 63 CB GLN A 5 -7.505 1.674 9.396 1.00 0.54 C ATOM 64 CG GLN A 5 -8.992 1.343 9.205 1.00 1.94 C ATOM 65 CD GLN A 5 -9.264 -0.154 9.279 1.00 3.33 C ATOM 66 OE1 GLN A 5 -9.703 -0.660 10.311 1.00 3.87 O ATOM 67 NE2 GLN A 5 -9.000 -0.883 8.204 1.00 4.88 N ATOM 0 H GLN A 5 -5.110 2.050 9.445 1.00 0.61 H new ATOM 0 HA GLN A 5 -6.615 0.102 8.242 1.00 0.45 H new ATOM 0 HB2 GLN A 5 -7.166 1.232 10.333 1.00 0.54 H new ATOM 0 HB3 GLN A 5 -7.397 2.754 9.495 1.00 0.54 H new ATOM 0 HG2 GLN A 5 -9.577 1.855 9.969 1.00 1.94 H new ATOM 0 HG3 GLN A 5 -9.326 1.724 8.240 1.00 1.94 H new ATOM 0 HE21 GLN A 5 -8.637 -0.437 7.362 1.00 4.88 H new ATOM 0 HE22 GLN A 5 -9.160 -1.890 8.219 1.00 4.88 H new ATOM 76 N ASP A 6 -6.704 2.843 6.428 1.00 0.49 N ATOM 77 CA ASP A 6 -7.105 3.289 5.101 1.00 0.73 C ATOM 78 C ASP A 6 -6.644 2.352 4.002 1.00 0.67 C ATOM 79 O ASP A 6 -7.448 1.983 3.152 1.00 0.87 O ATOM 80 CB ASP A 6 -6.655 4.717 4.800 1.00 1.07 C ATOM 81 CG ASP A 6 -7.765 5.689 5.081 1.00 1.77 C ATOM 82 OD1 ASP A 6 -7.890 6.169 6.223 1.00 1.79 O ATOM 83 OD2 ASP A 6 -8.492 6.054 4.138 1.00 3.20 O ATOM 0 H ASP A 6 -6.118 3.503 6.940 1.00 0.49 H new ATOM 0 HA ASP A 6 -8.195 3.276 5.114 1.00 0.73 H new ATOM 0 HB2 ASP A 6 -5.784 4.965 5.406 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -6.350 4.796 3.757 1.00 1.07 H new ATOM 88 N TYR A 7 -5.365 1.967 3.984 1.00 0.49 N ATOM 89 CA TYR A 7 -4.899 1.057 2.947 1.00 0.47 C ATOM 90 C TYR A 7 -5.779 -0.177 2.963 1.00 0.49 C ATOM 91 O TYR A 7 -6.362 -0.556 1.948 1.00 0.55 O ATOM 92 CB TYR A 7 -3.447 0.630 3.157 1.00 0.44 C ATOM 93 CG TYR A 7 -2.451 1.729 2.907 1.00 0.50 C ATOM 94 CD1 TYR A 7 -2.047 2.021 1.595 1.00 1.62 C ATOM 95 CD2 TYR A 7 -1.912 2.444 3.985 1.00 2.01 C ATOM 96 CE1 TYR A 7 -1.178 3.093 1.352 1.00 1.61 C ATOM 97 CE2 TYR A 7 -0.932 3.416 3.752 1.00 2.37 C ATOM 98 CZ TYR A 7 -0.578 3.754 2.437 1.00 1.36 C ATOM 99 OH TYR A 7 0.327 4.739 2.211 1.00 1.92 O ATOM 0 H TYR A 7 -4.656 2.263 4.655 1.00 0.49 H new ATOM 0 HA TYR A 7 -4.954 1.578 1.991 1.00 0.47 H new ATOM 0 HB2 TYR A 7 -3.328 0.269 4.179 1.00 0.44 H new ATOM 0 HB3 TYR A 7 -3.225 -0.207 2.495 1.00 0.44 H new ATOM 0 HD1 TYR A 7 -2.406 1.420 0.773 1.00 1.62 H new ATOM 0 HD2 TYR A 7 -2.251 2.246 4.991 1.00 2.01 H new ATOM 0 HE1 TYR A 7 -0.971 3.408 0.340 1.00 1.61 H new ATOM 0 HE2 TYR A 7 -0.448 3.906 4.584 1.00 2.37 H new ATOM 0 HH TYR A 7 0.645 5.093 3.067 1.00 1.92 H new ATOM 109 N LEU A 8 -5.880 -0.769 4.149 1.00 0.42 N ATOM 110 CA LEU A 8 -6.772 -1.876 4.407 1.00 0.33 C ATOM 111 C LEU A 8 -8.158 -1.610 3.823 1.00 0.36 C ATOM 112 O LEU A 8 -8.632 -2.407 3.026 1.00 0.47 O ATOM 113 CB LEU A 8 -6.781 -2.180 5.913 1.00 0.26 C ATOM 114 CG LEU A 8 -5.806 -3.315 6.262 1.00 0.40 C ATOM 115 CD1 LEU A 8 -5.734 -3.451 7.781 1.00 0.46 C ATOM 116 CD2 LEU A 8 -6.249 -4.669 5.688 1.00 0.68 C ATOM 0 H LEU A 8 -5.335 -0.484 4.963 1.00 0.42 H new ATOM 0 HA LEU A 8 -6.415 -2.773 3.901 1.00 0.33 H new ATOM 0 HB2 LEU A 8 -6.510 -1.282 6.469 1.00 0.26 H new ATOM 0 HB3 LEU A 8 -7.789 -2.456 6.224 1.00 0.26 H new ATOM 0 HG LEU A 8 -4.840 -3.059 5.827 1.00 0.40 H new ATOM 0 HD11 LEU A 8 -5.045 -4.254 8.042 1.00 0.46 H new ATOM 0 HD12 LEU A 8 -5.381 -2.515 8.214 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -6.725 -3.681 8.173 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -5.525 -5.436 5.964 1.00 0.68 H new ATOM 0 HD22 LEU A 8 -7.227 -4.932 6.090 1.00 0.68 H new ATOM 0 HD23 LEU A 8 -6.310 -4.601 4.602 1.00 0.68 H new ATOM 128 N ALA A 9 -8.781 -0.487 4.159 1.00 0.37 N ATOM 129 CA ALA A 9 -10.132 -0.149 3.755 1.00 0.40 C ATOM 130 C ALA A 9 -10.261 -0.122 2.239 1.00 0.33 C ATOM 131 O ALA A 9 -11.119 -0.812 1.697 1.00 0.36 O ATOM 132 CB ALA A 9 -10.557 1.186 4.367 1.00 0.45 C ATOM 0 H ALA A 9 -8.344 0.231 4.737 1.00 0.37 H new ATOM 0 HA ALA A 9 -10.802 -0.924 4.129 1.00 0.40 H new ATOM 0 HB1 ALA A 9 -11.573 1.423 4.053 1.00 0.45 H new ATOM 0 HB2 ALA A 9 -10.520 1.116 5.454 1.00 0.45 H new ATOM 0 HB3 ALA A 9 -9.881 1.972 4.031 1.00 0.45 H new ATOM 138 N VAL A 10 -9.429 0.654 1.546 1.00 0.29 N ATOM 139 CA VAL A 10 -9.535 0.790 0.099 1.00 0.27 C ATOM 140 C VAL A 10 -9.286 -0.574 -0.560 1.00 0.30 C ATOM 141 O VAL A 10 -9.983 -0.956 -1.500 1.00 0.32 O ATOM 142 CB VAL A 10 -8.594 1.889 -0.430 1.00 0.27 C ATOM 143 CG1 VAL A 10 -8.862 2.171 -1.918 1.00 0.36 C ATOM 144 CG2 VAL A 10 -8.773 3.225 0.299 1.00 0.30 C ATOM 0 H VAL A 10 -8.675 1.197 1.966 1.00 0.29 H new ATOM 0 HA VAL A 10 -10.543 1.110 -0.164 1.00 0.27 H new ATOM 0 HB VAL A 10 -7.587 1.507 -0.264 1.00 0.27 H new ATOM 0 HG11 VAL A 10 -8.185 2.950 -2.268 1.00 0.36 H new ATOM 0 HG12 VAL A 10 -8.698 1.261 -2.496 1.00 0.36 H new ATOM 0 HG13 VAL A 10 -9.893 2.501 -2.046 1.00 0.36 H new ATOM 0 HG21 VAL A 10 -8.084 3.961 -0.116 1.00 0.30 H new ATOM 0 HG22 VAL A 10 -9.798 3.575 0.172 1.00 0.30 H new ATOM 0 HG23 VAL A 10 -8.565 3.091 1.360 1.00 0.30 H new ATOM 154 N HIS A 11 -8.310 -1.339 -0.059 1.00 0.32 N ATOM 155 CA HIS A 11 -8.084 -2.689 -0.559 1.00 0.37 C ATOM 156 C HIS A 11 -9.322 -3.550 -0.341 1.00 0.36 C ATOM 157 O HIS A 11 -9.750 -4.270 -1.233 1.00 0.38 O ATOM 158 CB HIS A 11 -6.880 -3.353 0.115 1.00 0.45 C ATOM 159 CG HIS A 11 -5.549 -2.820 -0.329 1.00 0.45 C ATOM 160 ND1 HIS A 11 -5.109 -1.528 -0.217 1.00 0.54 N ATOM 161 CD2 HIS A 11 -4.546 -3.548 -0.902 1.00 0.42 C ATOM 162 CE1 HIS A 11 -3.871 -1.477 -0.726 1.00 0.54 C ATOM 163 NE2 HIS A 11 -3.489 -2.679 -1.183 1.00 0.49 N ATOM 0 H HIS A 11 -7.674 -1.047 0.683 1.00 0.32 H new ATOM 0 HA HIS A 11 -7.875 -2.606 -1.626 1.00 0.37 H new ATOM 0 HB2 HIS A 11 -6.967 -3.226 1.194 1.00 0.45 H new ATOM 0 HB3 HIS A 11 -6.913 -4.424 -0.083 1.00 0.45 H new ATOM 0 HD1 HIS A 11 -5.629 -0.747 0.182 1.00 0.54 H new ATOM 0 HD2 HIS A 11 -4.566 -4.609 -1.103 1.00 0.42 H new ATOM 0 HE1 HIS A 11 -3.261 -0.586 -0.763 1.00 0.54 H new ATOM 0 HE2 HIS A 11 -2.608 -2.911 -1.641 1.00 0.49 H new ATOM 171 N ASN A 12 -9.876 -3.512 0.866 1.00 0.37 N ATOM 172 CA ASN A 12 -11.033 -4.306 1.244 1.00 0.40 C ATOM 173 C ASN A 12 -12.224 -3.898 0.377 1.00 0.38 C ATOM 174 O ASN A 12 -13.052 -4.740 0.042 1.00 0.36 O ATOM 175 CB ASN A 12 -11.380 -4.123 2.741 1.00 0.49 C ATOM 176 CG ASN A 12 -10.307 -4.560 3.748 1.00 0.77 C ATOM 177 OD1 ASN A 12 -9.452 -5.391 3.446 1.00 1.60 O ATOM 178 ND2 ASN A 12 -10.299 -4.016 4.958 1.00 0.89 N ATOM 0 H ASN A 12 -9.526 -2.919 1.619 1.00 0.37 H new ATOM 0 HA ASN A 12 -10.799 -5.359 1.086 1.00 0.40 H new ATOM 0 HB2 ASN A 12 -11.602 -3.070 2.914 1.00 0.49 H new ATOM 0 HB3 ASN A 12 -12.293 -4.680 2.951 1.00 0.49 H new ATOM 0 HD21 ASN A 12 -9.585 -4.287 5.634 1.00 0.89 H new ATOM 0 HD22 ASN A 12 -11.007 -3.327 5.212 1.00 0.89 H new ATOM 185 N ASP A 13 -12.298 -2.621 -0.005 1.00 0.45 N ATOM 186 CA ASP A 13 -13.267 -2.090 -0.953 1.00 0.43 C ATOM 187 C ASP A 13 -13.141 -2.770 -2.304 1.00 0.41 C ATOM 188 O ASP A 13 -14.057 -3.452 -2.756 1.00 0.44 O ATOM 189 CB ASP A 13 -13.098 -0.575 -1.106 1.00 0.48 C ATOM 190 CG ASP A 13 -14.425 0.127 -1.114 1.00 0.56 C ATOM 191 OD1 ASP A 13 -15.063 0.154 -2.184 1.00 1.88 O ATOM 192 OD2 ASP A 13 -14.799 0.645 -0.042 1.00 1.65 O ATOM 0 H ASP A 13 -11.662 -1.908 0.352 1.00 0.45 H new ATOM 0 HA ASP A 13 -14.263 -2.294 -0.560 1.00 0.43 H new ATOM 0 HB2 ASP A 13 -12.487 -0.191 -0.289 1.00 0.48 H new ATOM 0 HB3 ASP A 13 -12.565 -0.359 -2.032 1.00 0.48 H new ATOM 197 N ALA A 14 -11.992 -2.587 -2.949 1.00 0.42 N ATOM 198 CA ALA A 14 -11.703 -3.187 -4.243 1.00 0.42 C ATOM 199 C ALA A 14 -12.000 -4.685 -4.190 1.00 0.38 C ATOM 200 O ALA A 14 -12.699 -5.229 -5.040 1.00 0.47 O ATOM 201 CB ALA A 14 -10.231 -2.927 -4.573 1.00 0.44 C ATOM 0 H ALA A 14 -11.232 -2.014 -2.584 1.00 0.42 H new ATOM 0 HA ALA A 14 -12.328 -2.749 -5.021 1.00 0.42 H new ATOM 0 HB1 ALA A 14 -9.991 -3.369 -5.540 1.00 0.44 H new ATOM 0 HB2 ALA A 14 -10.051 -1.853 -4.610 1.00 0.44 H new ATOM 0 HB3 ALA A 14 -9.601 -3.374 -3.804 1.00 0.44 H new ATOM 207 N ARG A 15 -11.511 -5.346 -3.146 1.00 0.34 N ATOM 208 CA ARG A 15 -11.810 -6.738 -2.899 1.00 0.33 C ATOM 209 C ARG A 15 -13.306 -6.987 -2.776 1.00 0.39 C ATOM 210 O ARG A 15 -13.782 -7.968 -3.327 1.00 0.43 O ATOM 211 CB ARG A 15 -11.062 -7.245 -1.670 1.00 0.33 C ATOM 212 CG ARG A 15 -9.588 -7.452 -2.016 1.00 0.37 C ATOM 213 CD ARG A 15 -8.884 -8.310 -0.969 1.00 0.88 C ATOM 214 NE ARG A 15 -7.971 -7.569 -0.114 1.00 1.58 N ATOM 215 CZ ARG A 15 -8.315 -6.976 1.026 1.00 2.94 C ATOM 216 NH1 ARG A 15 -9.498 -7.228 1.560 1.00 3.68 N ATOM 217 NH2 ARG A 15 -7.496 -6.130 1.648 1.00 4.56 N ATOM 0 H ARG A 15 -10.896 -4.924 -2.450 1.00 0.34 H new ATOM 0 HA ARG A 15 -11.464 -7.303 -3.764 1.00 0.33 H new ATOM 0 HB2 ARG A 15 -11.157 -6.530 -0.853 1.00 0.33 H new ATOM 0 HB3 ARG A 15 -11.500 -8.182 -1.326 1.00 0.33 H new ATOM 0 HG2 ARG A 15 -9.506 -7.928 -2.993 1.00 0.37 H new ATOM 0 HG3 ARG A 15 -9.091 -6.485 -2.090 1.00 0.37 H new ATOM 0 HD2 ARG A 15 -9.636 -8.795 -0.346 1.00 0.88 H new ATOM 0 HD3 ARG A 15 -8.331 -9.101 -1.475 1.00 0.88 H new ATOM 0 HE ARG A 15 -6.997 -7.499 -0.409 1.00 1.58 H new ATOM 0 HH11 ARG A 15 -10.139 -7.873 1.098 1.00 3.68 H new ATOM 0 HH12 ARG A 15 -9.769 -6.777 2.434 1.00 3.68 H new ATOM 0 HH21 ARG A 15 -6.579 -5.923 1.251 1.00 4.56 H new ATOM 0 HH22 ARG A 15 -7.785 -5.689 2.521 1.00 4.56 H new ATOM 231 N ALA A 16 -14.060 -6.143 -2.077 1.00 0.47 N ATOM 232 CA ALA A 16 -15.508 -6.275 -2.009 1.00 0.54 C ATOM 233 C ALA A 16 -16.103 -6.259 -3.417 1.00 0.56 C ATOM 234 O ALA A 16 -16.983 -7.057 -3.732 1.00 0.63 O ATOM 235 CB ALA A 16 -16.119 -5.171 -1.138 1.00 0.66 C ATOM 0 H ALA A 16 -13.686 -5.356 -1.547 1.00 0.47 H new ATOM 0 HA ALA A 16 -15.749 -7.231 -1.544 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -17.202 -5.292 -1.103 1.00 0.66 H new ATOM 0 HB2 ALA A 16 -15.714 -5.238 -0.128 1.00 0.66 H new ATOM 0 HB3 ALA A 16 -15.876 -4.197 -1.562 1.00 0.66 H new ATOM 241 N GLN A 17 -15.592 -5.387 -4.287 1.00 0.56 N ATOM 242 CA GLN A 17 -16.002 -5.313 -5.685 1.00 0.71 C ATOM 243 C GLN A 17 -15.579 -6.538 -6.513 1.00 0.89 C ATOM 244 O GLN A 17 -15.903 -6.606 -7.701 1.00 1.54 O ATOM 245 CB GLN A 17 -15.528 -3.979 -6.289 1.00 0.66 C ATOM 246 CG GLN A 17 -16.485 -2.839 -5.909 1.00 1.28 C ATOM 247 CD GLN A 17 -15.787 -1.549 -5.507 1.00 1.27 C ATOM 248 OE1 GLN A 17 -15.760 -0.570 -6.250 1.00 2.31 O ATOM 249 NE2 GLN A 17 -15.228 -1.525 -4.308 1.00 1.54 N ATOM 0 H GLN A 17 -14.875 -4.707 -4.036 1.00 0.56 H new ATOM 0 HA GLN A 17 -17.091 -5.337 -5.720 1.00 0.71 H new ATOM 0 HB2 GLN A 17 -14.523 -3.750 -5.934 1.00 0.66 H new ATOM 0 HB3 GLN A 17 -15.471 -4.066 -7.374 1.00 0.66 H new ATOM 0 HG2 GLN A 17 -17.143 -2.635 -6.754 1.00 1.28 H new ATOM 0 HG3 GLN A 17 -17.117 -3.169 -5.085 1.00 1.28 H new ATOM 0 HE21 GLN A 17 -15.265 -2.352 -3.711 1.00 1.54 H new ATOM 0 HE22 GLN A 17 -14.760 -0.680 -3.980 1.00 1.54 H new ATOM 258 N VAL A 18 -14.902 -7.519 -5.916 1.00 0.58 N ATOM 259 CA VAL A 18 -14.751 -8.854 -6.480 1.00 0.71 C ATOM 260 C VAL A 18 -14.967 -9.928 -5.404 1.00 0.78 C ATOM 261 O VAL A 18 -14.496 -11.054 -5.556 1.00 1.17 O ATOM 262 CB VAL A 18 -13.375 -8.994 -7.152 1.00 0.80 C ATOM 263 CG1 VAL A 18 -13.225 -8.103 -8.388 1.00 0.96 C ATOM 264 CG2 VAL A 18 -12.232 -8.631 -6.209 1.00 0.80 C ATOM 0 H VAL A 18 -14.438 -7.404 -5.015 1.00 0.58 H new ATOM 0 HA VAL A 18 -15.515 -9.002 -7.244 1.00 0.71 H new ATOM 0 HB VAL A 18 -13.320 -10.044 -7.438 1.00 0.80 H new ATOM 0 HG11 VAL A 18 -12.234 -8.244 -8.820 1.00 0.96 H new ATOM 0 HG12 VAL A 18 -13.983 -8.371 -9.124 1.00 0.96 H new ATOM 0 HG13 VAL A 18 -13.350 -7.059 -8.101 1.00 0.96 H new ATOM 0 HG21 VAL A 18 -11.281 -8.746 -6.729 1.00 0.80 H new ATOM 0 HG22 VAL A 18 -12.345 -7.597 -5.882 1.00 0.80 H new ATOM 0 HG23 VAL A 18 -12.253 -9.290 -5.341 1.00 0.80 H new ATOM 274 N GLY A 19 -15.677 -9.610 -4.321 1.00 0.57 N ATOM 275 CA GLY A 19 -15.948 -10.489 -3.194 1.00 0.72 C ATOM 276 C GLY A 19 -14.735 -11.284 -2.699 1.00 0.87 C ATOM 277 O GLY A 19 -14.895 -12.393 -2.192 1.00 1.40 O ATOM 0 H GLY A 19 -16.097 -8.688 -4.205 1.00 0.57 H new ATOM 0 HA2 GLY A 19 -16.335 -9.891 -2.369 1.00 0.72 H new ATOM 0 HA3 GLY A 19 -16.734 -11.189 -3.477 1.00 0.72 H new ATOM 281 N VAL A 20 -13.529 -10.718 -2.748 1.00 0.62 N ATOM 282 CA VAL A 20 -12.332 -11.389 -2.244 1.00 0.63 C ATOM 283 C VAL A 20 -12.308 -11.129 -0.729 1.00 0.65 C ATOM 284 O VAL A 20 -12.943 -10.188 -0.245 1.00 0.64 O ATOM 285 CB VAL A 20 -11.064 -10.879 -2.972 1.00 0.65 C ATOM 286 CG1 VAL A 20 -9.781 -11.310 -2.242 1.00 0.83 C ATOM 287 CG2 VAL A 20 -10.947 -11.372 -4.421 1.00 0.78 C ATOM 0 H VAL A 20 -13.355 -9.790 -3.134 1.00 0.62 H new ATOM 0 HA VAL A 20 -12.350 -12.462 -2.435 1.00 0.63 H new ATOM 0 HB VAL A 20 -11.171 -9.794 -2.973 1.00 0.65 H new ATOM 0 HG11 VAL A 20 -8.912 -10.934 -2.782 1.00 0.83 H new ATOM 0 HG12 VAL A 20 -9.784 -10.904 -1.231 1.00 0.83 H new ATOM 0 HG13 VAL A 20 -9.737 -12.398 -2.196 1.00 0.83 H new ATOM 0 HG21 VAL A 20 -10.035 -10.975 -4.868 1.00 0.78 H new ATOM 0 HG22 VAL A 20 -10.913 -12.461 -4.433 1.00 0.78 H new ATOM 0 HG23 VAL A 20 -11.810 -11.030 -4.993 1.00 0.78 H new ATOM 297 N GLY A 21 -11.670 -12.002 0.050 1.00 0.79 N ATOM 298 CA GLY A 21 -11.766 -11.970 1.505 1.00 0.80 C ATOM 299 C GLY A 21 -10.952 -10.836 2.143 1.00 0.90 C ATOM 300 O GLY A 21 -9.977 -10.368 1.553 1.00 1.07 O ATOM 0 H GLY A 21 -11.075 -12.748 -0.310 1.00 0.79 H new ATOM 0 HA2 GLY A 21 -12.812 -11.862 1.791 1.00 0.80 H new ATOM 0 HA3 GLY A 21 -11.423 -12.924 1.906 1.00 0.80 H new ATOM 304 N PRO A 22 -11.347 -10.373 3.340 1.00 0.97 N ATOM 305 CA PRO A 22 -10.680 -9.298 4.056 1.00 1.14 C ATOM 306 C PRO A 22 -9.454 -9.815 4.813 1.00 1.60 C ATOM 307 O PRO A 22 -9.165 -11.012 4.781 1.00 2.02 O ATOM 308 CB PRO A 22 -11.761 -8.716 4.966 1.00 1.21 C ATOM 309 CG PRO A 22 -12.567 -9.958 5.341 1.00 1.39 C ATOM 310 CD PRO A 22 -12.570 -10.743 4.028 1.00 1.10 C ATOM 0 HA PRO A 22 -10.277 -8.529 3.397 1.00 1.14 H new ATOM 0 HB2 PRO A 22 -11.336 -8.226 5.842 1.00 1.21 H new ATOM 0 HB3 PRO A 22 -12.371 -7.974 4.451 1.00 1.21 H new ATOM 0 HG2 PRO A 22 -12.100 -10.519 6.151 1.00 1.39 H new ATOM 0 HG3 PRO A 22 -13.576 -9.706 5.668 1.00 1.39 H new ATOM 0 HD2 PRO A 22 -12.604 -11.816 4.215 1.00 1.10 H new ATOM 0 HD3 PRO A 22 -13.446 -10.496 3.428 1.00 1.10 H new ATOM 318 N MET A 23 -8.687 -8.903 5.417 1.00 1.53 N ATOM 319 CA MET A 23 -7.378 -9.184 5.995 1.00 1.65 C ATOM 320 C MET A 23 -7.057 -8.147 7.076 1.00 1.36 C ATOM 321 O MET A 23 -7.779 -7.155 7.188 1.00 1.19 O ATOM 322 CB MET A 23 -6.304 -9.220 4.895 1.00 1.72 C ATOM 323 CG MET A 23 -6.659 -8.436 3.626 1.00 1.64 C ATOM 324 SD MET A 23 -5.418 -8.465 2.311 1.00 2.21 S ATOM 325 CE MET A 23 -4.174 -7.381 3.015 1.00 2.06 C ATOM 0 H MET A 23 -8.969 -7.928 5.518 1.00 1.53 H new ATOM 0 HA MET A 23 -7.390 -10.167 6.467 1.00 1.65 H new ATOM 0 HB2 MET A 23 -5.374 -8.824 5.302 1.00 1.72 H new ATOM 0 HB3 MET A 23 -6.117 -10.259 4.623 1.00 1.72 H new ATOM 0 HG2 MET A 23 -7.593 -8.831 3.227 1.00 1.64 H new ATOM 0 HG3 MET A 23 -6.844 -7.398 3.903 1.00 1.64 H new ATOM 0 HE1 MET A 23 -3.266 -7.430 2.414 1.00 2.06 H new ATOM 0 HE2 MET A 23 -4.547 -6.357 3.025 1.00 2.06 H new ATOM 0 HE3 MET A 23 -3.952 -7.696 4.035 1.00 2.06 H new ATOM 335 N SER A 24 -5.978 -8.370 7.834 1.00 1.45 N ATOM 336 CA SER A 24 -5.481 -7.474 8.873 1.00 1.28 C ATOM 337 C SER A 24 -4.148 -6.840 8.455 1.00 0.99 C ATOM 338 O SER A 24 -3.674 -7.050 7.334 1.00 0.99 O ATOM 339 CB SER A 24 -5.469 -8.192 10.239 1.00 1.63 C ATOM 340 OG SER A 24 -4.175 -8.603 10.643 1.00 1.58 O ATOM 0 H SER A 24 -5.409 -9.211 7.734 1.00 1.45 H new ATOM 0 HA SER A 24 -6.160 -6.631 8.999 1.00 1.28 H new ATOM 0 HB2 SER A 24 -5.884 -7.526 10.996 1.00 1.63 H new ATOM 0 HB3 SER A 24 -6.121 -9.064 10.189 1.00 1.63 H new ATOM 0 HG SER A 24 -4.230 -9.049 11.514 1.00 1.58 H new ATOM 346 N TRP A 25 -3.578 -6.017 9.338 1.00 0.83 N ATOM 347 CA TRP A 25 -2.307 -5.347 9.112 1.00 0.60 C ATOM 348 C TRP A 25 -1.161 -6.348 9.247 1.00 0.46 C ATOM 349 O TRP A 25 -1.345 -7.434 9.801 1.00 0.83 O ATOM 350 CB TRP A 25 -2.113 -4.237 10.152 1.00 0.64 C ATOM 351 CG TRP A 25 -1.072 -3.238 9.762 1.00 0.55 C ATOM 352 CD1 TRP A 25 0.139 -3.039 10.326 1.00 0.55 C ATOM 353 CD2 TRP A 25 -1.141 -2.323 8.642 1.00 0.61 C ATOM 354 NE1 TRP A 25 0.795 -2.026 9.657 1.00 0.54 N ATOM 355 CE2 TRP A 25 0.054 -1.551 8.597 1.00 0.48 C ATOM 356 CE3 TRP A 25 -2.113 -2.074 7.659 1.00 0.89 C ATOM 357 CZ2 TRP A 25 0.261 -0.555 7.630 1.00 0.50 C ATOM 358 CZ3 TRP A 25 -1.908 -1.105 6.672 1.00 0.93 C ATOM 359 CH2 TRP A 25 -0.735 -0.331 6.661 1.00 0.68 C ATOM 0 H TRP A 25 -3.997 -5.798 10.242 1.00 0.83 H new ATOM 0 HA TRP A 25 -2.310 -4.920 8.109 1.00 0.60 H new ATOM 0 HB2 TRP A 25 -3.061 -3.722 10.305 1.00 0.64 H new ATOM 0 HB3 TRP A 25 -1.836 -4.686 11.106 1.00 0.64 H new ATOM 0 HD1 TRP A 25 0.533 -3.587 11.169 1.00 0.55 H new ATOM 0 HE1 TRP A 25 1.716 -1.672 9.916 1.00 0.54 H new ATOM 0 HE3 TRP A 25 -3.033 -2.640 7.666 1.00 0.89 H new ATOM 0 HZ2 TRP A 25 1.169 0.030 7.629 1.00 0.50 H new ATOM 0 HZ3 TRP A 25 -2.658 -0.950 5.911 1.00 0.93 H new ATOM 0 HH2 TRP A 25 -0.598 0.434 5.911 1.00 0.68 H new ATOM 370 N ASP A 26 0.043 -5.954 8.833 1.00 0.71 N ATOM 371 CA ASP A 26 1.252 -6.715 9.092 1.00 0.64 C ATOM 372 C ASP A 26 2.431 -5.801 9.423 1.00 0.70 C ATOM 373 O ASP A 26 2.840 -4.973 8.606 1.00 1.33 O ATOM 374 CB ASP A 26 1.562 -7.578 7.884 1.00 0.81 C ATOM 375 CG ASP A 26 2.656 -8.551 8.237 1.00 1.56 C ATOM 376 OD1 ASP A 26 3.796 -8.104 8.461 1.00 2.71 O ATOM 377 OD2 ASP A 26 2.308 -9.744 8.347 1.00 2.45 O ATOM 0 H ASP A 26 0.201 -5.094 8.307 1.00 0.71 H new ATOM 0 HA ASP A 26 1.088 -7.350 9.962 1.00 0.64 H new ATOM 0 HB2 ASP A 26 0.668 -8.116 7.568 1.00 0.81 H new ATOM 0 HB3 ASP A 26 1.871 -6.953 7.046 1.00 0.81 H new ATOM 382 N ALA A 27 2.977 -5.948 10.628 1.00 0.59 N ATOM 383 CA ALA A 27 4.098 -5.158 11.104 1.00 0.82 C ATOM 384 C ALA A 27 5.364 -5.405 10.282 1.00 0.77 C ATOM 385 O ALA A 27 6.139 -4.471 10.061 1.00 0.83 O ATOM 386 CB ALA A 27 4.368 -5.475 12.578 1.00 1.15 C ATOM 0 H ALA A 27 2.644 -6.632 11.308 1.00 0.59 H new ATOM 0 HA ALA A 27 3.831 -4.107 10.992 1.00 0.82 H new ATOM 0 HB1 ALA A 27 5.210 -4.879 12.930 1.00 1.15 H new ATOM 0 HB2 ALA A 27 3.484 -5.238 13.169 1.00 1.15 H new ATOM 0 HB3 ALA A 27 4.603 -6.534 12.685 1.00 1.15 H new ATOM 392 N ASN A 28 5.600 -6.646 9.853 1.00 0.77 N ATOM 393 CA ASN A 28 6.821 -7.025 9.155 1.00 0.88 C ATOM 394 C ASN A 28 6.774 -6.461 7.751 1.00 0.77 C ATOM 395 O ASN A 28 7.744 -5.874 7.283 1.00 0.89 O ATOM 396 CB ASN A 28 7.000 -8.550 9.084 1.00 0.99 C ATOM 397 CG ASN A 28 7.336 -9.171 10.429 1.00 1.21 C ATOM 398 OD1 ASN A 28 8.046 -8.571 11.235 1.00 1.81 O ATOM 399 ND2 ASN A 28 6.841 -10.374 10.700 1.00 2.01 N ATOM 0 H ASN A 28 4.944 -7.417 9.982 1.00 0.77 H new ATOM 0 HA ASN A 28 7.667 -6.621 9.711 1.00 0.88 H new ATOM 0 HB2 ASN A 28 6.084 -9.000 8.701 1.00 0.99 H new ATOM 0 HB3 ASN A 28 7.793 -8.785 8.373 1.00 0.99 H new ATOM 0 HD21 ASN A 28 7.047 -10.821 11.593 1.00 2.01 H new ATOM 0 HD22 ASN A 28 6.255 -10.851 10.015 1.00 2.01 H new ATOM 406 N LEU A 29 5.648 -6.591 7.067 1.00 0.60 N ATOM 407 CA LEU A 29 5.503 -5.967 5.773 1.00 0.53 C ATOM 408 C LEU A 29 5.571 -4.457 5.913 1.00 0.40 C ATOM 409 O LEU A 29 6.189 -3.800 5.085 1.00 0.44 O ATOM 410 CB LEU A 29 4.190 -6.387 5.148 1.00 0.53 C ATOM 411 CG LEU A 29 4.092 -7.902 4.947 1.00 0.64 C ATOM 412 CD1 LEU A 29 2.705 -8.119 4.357 1.00 1.04 C ATOM 413 CD2 LEU A 29 5.188 -8.502 4.045 1.00 0.56 C ATOM 0 H LEU A 29 4.834 -7.117 7.386 1.00 0.60 H new ATOM 0 HA LEU A 29 6.318 -6.289 5.124 1.00 0.53 H new ATOM 0 HB2 LEU A 29 3.367 -6.054 5.781 1.00 0.53 H new ATOM 0 HB3 LEU A 29 4.074 -5.888 4.186 1.00 0.53 H new ATOM 0 HG LEU A 29 4.245 -8.417 5.895 1.00 0.64 H new ATOM 0 HD11 LEU A 29 2.547 -9.183 4.180 1.00 1.04 H new ATOM 0 HD12 LEU A 29 1.952 -7.752 5.054 1.00 1.04 H new ATOM 0 HD13 LEU A 29 2.622 -7.578 3.415 1.00 1.04 H new ATOM 0 HD21 LEU A 29 5.040 -9.578 3.959 1.00 0.56 H new ATOM 0 HD22 LEU A 29 5.134 -8.048 3.055 1.00 0.56 H new ATOM 0 HD23 LEU A 29 6.167 -8.304 4.481 1.00 0.56 H new ATOM 425 N ALA A 30 4.966 -3.893 6.957 1.00 0.36 N ATOM 426 CA ALA A 30 5.070 -2.465 7.187 1.00 0.42 C ATOM 427 C ALA A 30 6.541 -2.080 7.367 1.00 0.55 C ATOM 428 O ALA A 30 6.979 -1.079 6.805 1.00 0.51 O ATOM 429 CB ALA A 30 4.167 -2.040 8.345 1.00 0.55 C ATOM 0 H ALA A 30 4.408 -4.400 7.644 1.00 0.36 H new ATOM 0 HA ALA A 30 4.709 -1.913 6.319 1.00 0.42 H new ATOM 0 HB1 ALA A 30 4.259 -0.965 8.502 1.00 0.55 H new ATOM 0 HB2 ALA A 30 3.132 -2.285 8.108 1.00 0.55 H new ATOM 0 HB3 ALA A 30 4.466 -2.566 9.252 1.00 0.55 H new ATOM 435 N SER A 31 7.329 -2.887 8.089 1.00 0.82 N ATOM 436 CA SER A 31 8.735 -2.623 8.267 1.00 1.03 C ATOM 437 C SER A 31 9.456 -2.674 6.916 1.00 1.00 C ATOM 438 O SER A 31 10.083 -1.689 6.538 1.00 1.01 O ATOM 439 CB SER A 31 9.300 -3.526 9.370 1.00 1.20 C ATOM 440 OG SER A 31 9.615 -4.841 8.964 1.00 1.46 O ATOM 0 H SER A 31 6.999 -3.731 8.557 1.00 0.82 H new ATOM 0 HA SER A 31 8.907 -1.609 8.627 1.00 1.03 H new ATOM 0 HB2 SER A 31 10.200 -3.061 9.773 1.00 1.20 H new ATOM 0 HB3 SER A 31 8.576 -3.577 10.183 1.00 1.20 H new ATOM 0 HG SER A 31 8.859 -5.220 8.469 1.00 1.46 H new ATOM 446 N ARG A 32 9.318 -3.770 6.158 1.00 1.00 N ATOM 447 CA ARG A 32 9.786 -3.900 4.793 1.00 1.09 C ATOM 448 C ARG A 32 9.458 -2.662 3.967 1.00 0.82 C ATOM 449 O ARG A 32 10.328 -2.108 3.312 1.00 0.93 O ATOM 450 CB ARG A 32 9.090 -5.118 4.163 1.00 1.26 C ATOM 451 CG ARG A 32 9.944 -5.736 3.059 1.00 1.59 C ATOM 452 CD ARG A 32 10.474 -7.070 3.565 1.00 1.82 C ATOM 453 NE ARG A 32 9.470 -8.142 3.503 1.00 3.56 N ATOM 454 CZ ARG A 32 9.232 -8.940 2.450 1.00 4.96 C ATOM 455 NH1 ARG A 32 9.655 -8.596 1.231 1.00 5.37 N ATOM 456 NH2 ARG A 32 8.573 -10.083 2.628 1.00 6.78 N ATOM 0 H ARG A 32 8.860 -4.614 6.501 1.00 1.00 H new ATOM 0 HA ARG A 32 10.869 -4.020 4.803 1.00 1.09 H new ATOM 0 HB2 ARG A 32 8.891 -5.864 4.932 1.00 1.26 H new ATOM 0 HB3 ARG A 32 8.125 -4.817 3.754 1.00 1.26 H new ATOM 0 HG2 ARG A 32 9.352 -5.879 2.155 1.00 1.59 H new ATOM 0 HG3 ARG A 32 10.769 -5.072 2.799 1.00 1.59 H new ATOM 0 HD2 ARG A 32 11.343 -7.358 2.974 1.00 1.82 H new ATOM 0 HD3 ARG A 32 10.812 -6.954 4.595 1.00 1.82 H new ATOM 0 HE ARG A 32 8.902 -8.293 4.337 1.00 3.56 H new ATOM 0 HH11 ARG A 32 10.163 -7.722 1.095 1.00 5.37 H new ATOM 0 HH12 ARG A 32 9.470 -9.207 0.436 1.00 5.37 H new ATOM 0 HH21 ARG A 32 8.253 -10.347 3.560 1.00 6.78 H new ATOM 0 HH22 ARG A 32 8.388 -10.694 1.833 1.00 6.78 H new ATOM 470 N ALA A 33 8.199 -2.243 3.972 1.00 0.54 N ATOM 471 CA ALA A 33 7.710 -1.161 3.145 1.00 0.48 C ATOM 472 C ALA A 33 8.369 0.150 3.554 1.00 0.42 C ATOM 473 O ALA A 33 8.836 0.907 2.707 1.00 0.51 O ATOM 474 CB ALA A 33 6.193 -1.080 3.282 1.00 0.46 C ATOM 0 H ALA A 33 7.480 -2.658 4.565 1.00 0.54 H new ATOM 0 HA ALA A 33 7.961 -1.347 2.101 1.00 0.48 H new ATOM 0 HB1 ALA A 33 5.815 -0.267 2.662 1.00 0.46 H new ATOM 0 HB2 ALA A 33 5.748 -2.021 2.958 1.00 0.46 H new ATOM 0 HB3 ALA A 33 5.931 -0.894 4.324 1.00 0.46 H new ATOM 480 N GLN A 34 8.399 0.433 4.855 1.00 0.42 N ATOM 481 CA GLN A 34 9.010 1.638 5.387 1.00 0.53 C ATOM 482 C GLN A 34 10.492 1.664 5.028 1.00 0.60 C ATOM 483 O GLN A 34 11.006 2.694 4.602 1.00 0.57 O ATOM 484 CB GLN A 34 8.766 1.698 6.903 1.00 0.79 C ATOM 485 CG GLN A 34 9.262 2.997 7.546 1.00 1.17 C ATOM 486 CD GLN A 34 8.612 4.231 6.929 1.00 0.99 C ATOM 487 OE1 GLN A 34 7.489 4.593 7.269 1.00 1.89 O ATOM 488 NE2 GLN A 34 9.268 4.876 5.976 1.00 1.63 N ATOM 0 H GLN A 34 7.996 -0.174 5.569 1.00 0.42 H new ATOM 0 HA GLN A 34 8.560 2.527 4.945 1.00 0.53 H new ATOM 0 HB2 GLN A 34 7.699 1.589 7.097 1.00 0.79 H new ATOM 0 HB3 GLN A 34 9.264 0.853 7.378 1.00 0.79 H new ATOM 0 HG2 GLN A 34 9.052 2.974 8.615 1.00 1.17 H new ATOM 0 HG3 GLN A 34 10.344 3.065 7.435 1.00 1.17 H new ATOM 0 HE21 GLN A 34 10.200 4.568 5.700 1.00 1.63 H new ATOM 0 HE22 GLN A 34 8.841 5.681 5.518 1.00 1.63 H new ATOM 497 N ASN A 35 11.165 0.533 5.203 1.00 0.81 N ATOM 498 CA ASN A 35 12.564 0.327 4.860 1.00 1.06 C ATOM 499 C ASN A 35 12.774 0.600 3.372 1.00 1.04 C ATOM 500 O ASN A 35 13.627 1.391 2.993 1.00 1.13 O ATOM 501 CB ASN A 35 12.970 -1.115 5.212 1.00 1.35 C ATOM 502 CG ASN A 35 13.516 -1.255 6.628 1.00 1.63 C ATOM 503 OD1 ASN A 35 14.722 -1.405 6.815 1.00 2.67 O ATOM 504 ND2 ASN A 35 12.657 -1.256 7.635 1.00 1.99 N ATOM 0 H ASN A 35 10.732 -0.299 5.604 1.00 0.81 H new ATOM 0 HA ASN A 35 13.189 1.015 5.429 1.00 1.06 H new ATOM 0 HB2 ASN A 35 12.105 -1.768 5.097 1.00 1.35 H new ATOM 0 HB3 ASN A 35 13.724 -1.457 4.503 1.00 1.35 H new ATOM 0 HD21 ASN A 35 12.991 -1.383 8.590 1.00 1.99 H new ATOM 0 HD22 ASN A 35 11.661 -1.130 7.456 1.00 1.99 H new ATOM 511 N TYR A 36 11.980 -0.033 2.516 1.00 1.02 N ATOM 512 CA TYR A 36 12.107 0.036 1.068 1.00 1.14 C ATOM 513 C TYR A 36 11.913 1.474 0.602 1.00 1.10 C ATOM 514 O TYR A 36 12.718 2.018 -0.157 1.00 1.31 O ATOM 515 CB TYR A 36 11.061 -0.915 0.461 1.00 1.15 C ATOM 516 CG TYR A 36 11.271 -1.381 -0.963 1.00 1.23 C ATOM 517 CD1 TYR A 36 12.445 -2.096 -1.258 1.00 1.96 C ATOM 518 CD2 TYR A 36 10.152 -1.518 -1.808 1.00 2.54 C ATOM 519 CE1 TYR A 36 12.466 -3.009 -2.320 1.00 2.53 C ATOM 520 CE2 TYR A 36 10.165 -2.460 -2.852 1.00 2.87 C ATOM 521 CZ TYR A 36 11.296 -3.272 -3.044 1.00 2.50 C ATOM 522 OH TYR A 36 11.317 -4.214 -4.030 1.00 3.36 O ATOM 0 H TYR A 36 11.208 -0.625 2.821 1.00 1.02 H new ATOM 0 HA TYR A 36 13.100 -0.273 0.741 1.00 1.14 H new ATOM 0 HB2 TYR A 36 11.003 -1.798 1.097 1.00 1.15 H new ATOM 0 HB3 TYR A 36 10.091 -0.421 0.512 1.00 1.15 H new ATOM 0 HD1 TYR A 36 13.333 -1.941 -0.664 1.00 1.96 H new ATOM 0 HD2 TYR A 36 9.282 -0.898 -1.653 1.00 2.54 H new ATOM 0 HE1 TYR A 36 13.386 -3.511 -2.581 1.00 2.53 H new ATOM 0 HE2 TYR A 36 9.309 -2.559 -3.504 1.00 2.87 H new ATOM 0 HH TYR A 36 10.405 -4.368 -4.355 1.00 3.36 H new ATOM 532 N ALA A 37 10.832 2.090 1.082 1.00 0.86 N ATOM 533 CA ALA A 37 10.549 3.492 0.860 1.00 0.79 C ATOM 534 C ALA A 37 11.766 4.322 1.266 1.00 0.79 C ATOM 535 O ALA A 37 12.215 5.188 0.516 1.00 0.93 O ATOM 536 CB ALA A 37 9.283 3.896 1.624 1.00 0.64 C ATOM 0 H ALA A 37 10.124 1.615 1.642 1.00 0.86 H new ATOM 0 HA ALA A 37 10.358 3.678 -0.197 1.00 0.79 H new ATOM 0 HB1 ALA A 37 9.076 4.952 1.452 1.00 0.64 H new ATOM 0 HB2 ALA A 37 8.441 3.300 1.274 1.00 0.64 H new ATOM 0 HB3 ALA A 37 9.431 3.724 2.690 1.00 0.64 H new ATOM 542 N ASN A 38 12.295 4.039 2.456 1.00 0.80 N ATOM 543 CA ASN A 38 13.419 4.756 3.032 1.00 0.93 C ATOM 544 C ASN A 38 14.650 4.681 2.145 1.00 1.10 C ATOM 545 O ASN A 38 15.135 5.709 1.673 1.00 1.27 O ATOM 546 CB ASN A 38 13.744 4.252 4.446 1.00 1.05 C ATOM 547 CG ASN A 38 13.123 5.146 5.503 1.00 1.10 C ATOM 548 OD1 ASN A 38 12.311 4.585 6.383 1.00 1.64 O flip ATOM 549 ND2 ASN A 38 13.348 6.352 5.508 1.00 1.37 N flip ATOM 0 H ASN A 38 11.944 3.290 3.053 1.00 0.80 H new ATOM 0 HA ASN A 38 13.121 5.802 3.104 1.00 0.93 H new ATOM 0 HB2 ASN A 38 13.376 3.233 4.565 1.00 1.05 H new ATOM 0 HB3 ASN A 38 14.825 4.218 4.584 1.00 1.05 H new ATOM 0 HD21 ASN A 38 13.979 6.756 4.816 1.00 1.37 H new ATOM 0 HD22 ASN A 38 12.904 6.951 6.204 1.00 1.37 H new ATOM 556 N SER A 39 15.179 3.480 1.926 1.00 1.14 N ATOM 557 CA SER A 39 16.458 3.298 1.269 1.00 1.28 C ATOM 558 C SER A 39 16.452 3.946 -0.114 1.00 1.30 C ATOM 559 O SER A 39 17.411 4.603 -0.521 1.00 1.48 O ATOM 560 CB SER A 39 16.769 1.801 1.204 1.00 1.51 C ATOM 561 OG SER A 39 16.516 1.218 2.470 1.00 1.53 O ATOM 0 H SER A 39 14.727 2.608 2.202 1.00 1.14 H new ATOM 0 HA SER A 39 17.245 3.792 1.839 1.00 1.28 H new ATOM 0 HB2 SER A 39 16.155 1.323 0.441 1.00 1.51 H new ATOM 0 HB3 SER A 39 17.810 1.645 0.920 1.00 1.51 H new ATOM 0 HG SER A 39 16.712 0.259 2.433 1.00 1.53 H new ATOM 567 N ARG A 40 15.360 3.778 -0.855 1.00 1.30 N ATOM 568 CA ARG A 40 15.295 4.306 -2.204 1.00 1.44 C ATOM 569 C ARG A 40 15.048 5.815 -2.234 1.00 1.42 C ATOM 570 O ARG A 40 15.055 6.371 -3.326 1.00 1.90 O ATOM 571 CB ARG A 40 14.268 3.513 -3.020 1.00 1.64 C ATOM 572 CG ARG A 40 14.935 2.311 -3.712 1.00 1.72 C ATOM 573 CD ARG A 40 15.656 2.674 -5.032 1.00 2.15 C ATOM 574 NE ARG A 40 14.832 3.457 -5.965 1.00 2.63 N ATOM 575 CZ ARG A 40 13.581 3.150 -6.306 1.00 3.98 C ATOM 576 NH1 ARG A 40 13.172 1.896 -6.160 1.00 4.43 N ATOM 577 NH2 ARG A 40 12.771 4.111 -6.739 1.00 5.48 N ATOM 0 H ARG A 40 14.522 3.287 -0.545 1.00 1.30 H new ATOM 0 HA ARG A 40 16.270 4.176 -2.673 1.00 1.44 H new ATOM 0 HB2 ARG A 40 13.468 3.165 -2.367 1.00 1.64 H new ATOM 0 HB3 ARG A 40 13.811 4.162 -3.767 1.00 1.64 H new ATOM 0 HG2 ARG A 40 15.654 1.862 -3.027 1.00 1.72 H new ATOM 0 HG3 ARG A 40 14.177 1.555 -3.918 1.00 1.72 H new ATOM 0 HD2 ARG A 40 16.559 3.238 -4.798 1.00 2.15 H new ATOM 0 HD3 ARG A 40 15.973 1.756 -5.526 1.00 2.15 H new ATOM 0 HE ARG A 40 15.246 4.292 -6.379 1.00 2.63 H new ATOM 0 HH11 ARG A 40 13.811 1.191 -5.793 1.00 4.43 H new ATOM 0 HH12 ARG A 40 12.219 1.638 -6.414 1.00 4.43 H new ATOM 0 HH21 ARG A 40 13.109 5.071 -6.807 1.00 5.48 H new ATOM 0 HH22 ARG A 40 11.811 3.889 -7.003 1.00 5.48 H new ATOM 591 N ALA A 41 14.853 6.498 -1.103 1.00 1.35 N ATOM 592 CA ALA A 41 14.550 7.929 -1.071 1.00 1.34 C ATOM 593 C ALA A 41 15.537 8.773 -1.885 1.00 1.45 C ATOM 594 O ALA A 41 15.141 9.711 -2.574 1.00 2.36 O ATOM 595 CB ALA A 41 14.503 8.418 0.377 1.00 1.35 C ATOM 0 H ALA A 41 14.901 6.070 -0.178 1.00 1.35 H new ATOM 0 HA ALA A 41 13.574 8.057 -1.540 1.00 1.34 H new ATOM 0 HB1 ALA A 41 14.277 9.484 0.394 1.00 1.35 H new ATOM 0 HB2 ALA A 41 13.730 7.874 0.920 1.00 1.35 H new ATOM 0 HB3 ALA A 41 15.469 8.244 0.851 1.00 1.35 H new ATOM 601 N GLY A 42 16.826 8.439 -1.822 1.00 1.21 N ATOM 602 CA GLY A 42 17.867 9.137 -2.569 1.00 1.27 C ATOM 603 C GLY A 42 17.597 9.166 -4.079 1.00 1.18 C ATOM 604 O GLY A 42 18.077 10.051 -4.788 1.00 1.42 O ATOM 0 H GLY A 42 17.177 7.672 -1.248 1.00 1.21 H new ATOM 0 HA2 GLY A 42 17.950 10.159 -2.200 1.00 1.27 H new ATOM 0 HA3 GLY A 42 18.826 8.653 -2.385 1.00 1.27 H new ATOM 608 N ASP A 43 16.857 8.178 -4.584 1.00 1.15 N ATOM 609 CA ASP A 43 16.449 8.055 -5.976 1.00 1.41 C ATOM 610 C ASP A 43 14.976 8.447 -6.092 1.00 1.65 C ATOM 611 O ASP A 43 14.657 9.463 -6.702 1.00 2.65 O ATOM 612 CB ASP A 43 16.717 6.622 -6.439 1.00 1.88 C ATOM 613 CG ASP A 43 15.857 6.274 -7.622 1.00 3.15 C ATOM 614 OD1 ASP A 43 16.264 6.500 -8.771 1.00 4.25 O ATOM 615 OD2 ASP A 43 14.754 5.747 -7.384 1.00 4.08 O ATOM 0 H ASP A 43 16.513 7.411 -4.006 1.00 1.15 H new ATOM 0 HA ASP A 43 17.018 8.723 -6.623 1.00 1.41 H new ATOM 0 HB2 ASP A 43 17.769 6.511 -6.703 1.00 1.88 H new ATOM 0 HB3 ASP A 43 16.518 5.928 -5.622 1.00 1.88 H new ATOM 620 N CYS A 44 14.090 7.663 -5.483 1.00 1.33 N ATOM 621 CA CYS A 44 12.658 7.900 -5.327 1.00 1.57 C ATOM 622 C CYS A 44 11.829 7.608 -6.585 1.00 1.81 C ATOM 623 O CYS A 44 10.607 7.749 -6.561 1.00 2.34 O ATOM 624 CB CYS A 44 12.389 9.322 -4.829 1.00 1.81 C ATOM 625 SG CYS A 44 10.769 9.546 -4.078 1.00 2.21 S ATOM 0 H CYS A 44 14.375 6.782 -5.055 1.00 1.33 H new ATOM 0 HA CYS A 44 12.328 7.181 -4.577 1.00 1.57 H new ATOM 0 HB2 CYS A 44 13.155 9.591 -4.101 1.00 1.81 H new ATOM 0 HB3 CYS A 44 12.488 10.013 -5.666 1.00 1.81 H new ATOM 630 N ASN A 45 12.436 7.152 -7.681 1.00 2.03 N ATOM 631 CA ASN A 45 11.815 7.092 -9.012 1.00 2.64 C ATOM 632 C ASN A 45 10.928 5.859 -9.231 1.00 2.38 C ATOM 633 O ASN A 45 11.042 5.187 -10.253 1.00 3.61 O ATOM 634 CB ASN A 45 12.906 7.129 -10.087 1.00 3.54 C ATOM 635 CG ASN A 45 13.571 8.486 -10.195 1.00 4.36 C ATOM 636 OD1 ASN A 45 12.957 9.448 -10.654 1.00 5.36 O ATOM 637 ND2 ASN A 45 14.810 8.608 -9.754 1.00 4.58 N ATOM 0 H ASN A 45 13.395 6.805 -7.672 1.00 2.03 H new ATOM 0 HA ASN A 45 11.160 7.961 -9.084 1.00 2.64 H new ATOM 0 HB2 ASN A 45 13.660 6.376 -9.860 1.00 3.54 H new ATOM 0 HB3 ASN A 45 12.471 6.864 -11.051 1.00 3.54 H new ATOM 0 HD21 ASN A 45 15.277 9.514 -9.790 1.00 4.58 H new ATOM 0 HD22 ASN A 45 15.300 7.796 -9.377 1.00 4.58 H new ATOM 644 N LEU A 46 10.046 5.569 -8.273 1.00 1.95 N ATOM 645 CA LEU A 46 9.012 4.534 -8.279 1.00 1.78 C ATOM 646 C LEU A 46 9.359 3.231 -9.005 1.00 1.90 C ATOM 647 O LEU A 46 8.475 2.576 -9.564 1.00 2.32 O ATOM 648 CB LEU A 46 7.679 5.118 -8.766 1.00 2.07 C ATOM 649 CG LEU A 46 7.114 6.224 -7.861 1.00 2.05 C ATOM 650 CD1 LEU A 46 5.735 6.601 -8.405 1.00 2.57 C ATOM 651 CD2 LEU A 46 6.954 5.759 -6.410 1.00 1.95 C ATOM 0 H LEU A 46 10.036 6.097 -7.400 1.00 1.95 H new ATOM 0 HA LEU A 46 8.926 4.221 -7.239 1.00 1.78 H new ATOM 0 HB2 LEU A 46 7.815 5.519 -9.771 1.00 2.07 H new ATOM 0 HB3 LEU A 46 6.947 4.314 -8.840 1.00 2.07 H new ATOM 0 HG LEU A 46 7.806 7.066 -7.864 1.00 2.05 H new ATOM 0 HD11 LEU A 46 5.302 7.386 -7.786 1.00 2.57 H new ATOM 0 HD12 LEU A 46 5.834 6.960 -9.429 1.00 2.57 H new ATOM 0 HD13 LEU A 46 5.086 5.726 -8.388 1.00 2.57 H new ATOM 0 HD21 LEU A 46 6.552 6.574 -5.809 1.00 1.95 H new ATOM 0 HD22 LEU A 46 6.271 4.910 -6.373 1.00 1.95 H new ATOM 0 HD23 LEU A 46 7.925 5.461 -6.014 1.00 1.95 H new ATOM 663 N ILE A 47 10.603 2.774 -8.889 1.00 1.92 N ATOM 664 CA ILE A 47 10.930 1.418 -9.271 1.00 2.06 C ATOM 665 C ILE A 47 10.583 0.547 -8.062 1.00 2.06 C ATOM 666 O ILE A 47 10.793 0.983 -6.932 1.00 3.00 O ATOM 667 CB ILE A 47 12.419 1.360 -9.654 1.00 2.33 C ATOM 668 CG1 ILE A 47 12.772 2.256 -10.855 1.00 2.70 C ATOM 669 CG2 ILE A 47 12.839 -0.076 -9.946 1.00 2.46 C ATOM 670 CD1 ILE A 47 11.909 2.010 -12.096 1.00 4.65 C ATOM 0 H ILE A 47 11.388 3.322 -8.537 1.00 1.92 H new ATOM 0 HA ILE A 47 10.375 1.062 -10.139 1.00 2.06 H new ATOM 0 HB ILE A 47 12.969 1.743 -8.795 1.00 2.33 H new ATOM 0 HG12 ILE A 47 12.672 3.300 -10.557 1.00 2.70 H new ATOM 0 HG13 ILE A 47 13.818 2.098 -11.117 1.00 2.70 H new ATOM 0 HG21 ILE A 47 13.895 -0.099 -10.215 1.00 2.46 H new ATOM 0 HG22 ILE A 47 12.677 -0.690 -9.060 1.00 2.46 H new ATOM 0 HG23 ILE A 47 12.246 -0.468 -10.772 1.00 2.46 H new ATOM 0 HD11 ILE A 47 12.222 2.681 -12.896 1.00 4.65 H new ATOM 0 HD12 ILE A 47 12.027 0.977 -12.422 1.00 4.65 H new ATOM 0 HD13 ILE A 47 10.863 2.197 -11.854 1.00 4.65 H new ATOM 682 N HIS A 48 10.057 -0.652 -8.285 1.00 1.74 N ATOM 683 CA HIS A 48 9.854 -1.751 -7.351 1.00 1.82 C ATOM 684 C HIS A 48 8.402 -2.097 -7.051 1.00 3.17 C ATOM 685 O HIS A 48 7.932 -1.937 -5.928 1.00 4.52 O ATOM 686 CB HIS A 48 10.696 -1.734 -6.073 1.00 3.13 C ATOM 687 CG HIS A 48 12.161 -2.043 -6.243 1.00 4.79 C ATOM 688 ND1 HIS A 48 12.701 -2.970 -7.119 1.00 5.67 N ATOM 689 CD2 HIS A 48 13.138 -1.674 -5.360 1.00 6.26 C ATOM 690 CE1 HIS A 48 13.995 -3.130 -6.791 1.00 7.43 C ATOM 691 NE2 HIS A 48 14.278 -2.360 -5.721 1.00 7.79 N ATOM 0 H HIS A 48 9.730 -0.902 -9.218 1.00 1.74 H new ATOM 0 HA HIS A 48 10.256 -2.571 -7.946 1.00 1.82 H new ATOM 0 HB2 HIS A 48 10.604 -0.750 -5.614 1.00 3.13 H new ATOM 0 HB3 HIS A 48 10.272 -2.454 -5.373 1.00 3.13 H new ATOM 0 HD2 HIS A 48 13.036 -0.980 -4.539 1.00 6.26 H new ATOM 0 HE1 HIS A 48 14.696 -3.773 -7.303 1.00 7.43 H new ATOM 0 HE2 HIS A 48 15.184 -2.296 -5.256 1.00 7.79 H new ATOM 700 N SER A 49 7.718 -2.674 -8.026 1.00 4.07 N ATOM 701 CA SER A 49 6.528 -3.452 -7.755 1.00 5.57 C ATOM 702 C SER A 49 6.655 -4.728 -8.574 1.00 5.06 C ATOM 703 O SER A 49 5.925 -4.968 -9.535 1.00 6.47 O ATOM 704 CB SER A 49 5.258 -2.623 -7.946 1.00 7.68 C ATOM 705 OG SER A 49 5.267 -1.796 -9.100 1.00 8.02 O ATOM 0 H SER A 49 7.970 -2.616 -9.013 1.00 4.07 H new ATOM 0 HA SER A 49 6.436 -3.748 -6.710 1.00 5.57 H new ATOM 0 HB2 SER A 49 4.403 -3.297 -8.003 1.00 7.68 H new ATOM 0 HB3 SER A 49 5.111 -1.997 -7.066 1.00 7.68 H new ATOM 0 HG SER A 49 4.364 -1.453 -9.263 1.00 8.02 H new ATOM 711 N GLY A 50 7.674 -5.512 -8.235 1.00 3.37 N ATOM 712 CA GLY A 50 7.982 -6.740 -8.934 1.00 3.42 C ATOM 713 C GLY A 50 6.975 -7.790 -8.511 1.00 2.66 C ATOM 714 O GLY A 50 6.000 -8.047 -9.222 1.00 3.57 O ATOM 0 H GLY A 50 8.308 -5.306 -7.463 1.00 3.37 H new ATOM 0 HA2 GLY A 50 7.939 -6.585 -10.012 1.00 3.42 H new ATOM 0 HA3 GLY A 50 8.995 -7.068 -8.699 1.00 3.42 H new ATOM 718 N ALA A 51 7.216 -8.374 -7.344 1.00 1.75 N ATOM 719 CA ALA A 51 6.308 -9.271 -6.667 1.00 1.31 C ATOM 720 C ALA A 51 5.333 -8.455 -5.821 1.00 1.37 C ATOM 721 O ALA A 51 4.713 -7.503 -6.293 1.00 3.10 O ATOM 722 CB ALA A 51 7.133 -10.324 -5.913 1.00 2.15 C ATOM 0 H ALA A 51 8.084 -8.226 -6.829 1.00 1.75 H new ATOM 0 HA ALA A 51 5.677 -9.832 -7.356 1.00 1.31 H new ATOM 0 HB1 ALA A 51 6.462 -11.010 -5.396 1.00 2.15 H new ATOM 0 HB2 ALA A 51 7.746 -10.881 -6.621 1.00 2.15 H new ATOM 0 HB3 ALA A 51 7.777 -9.829 -5.186 1.00 2.15 H new ATOM 728 N GLY A 52 5.217 -8.844 -4.562 1.00 1.03 N ATOM 729 CA GLY A 52 4.210 -8.440 -3.601 1.00 0.78 C ATOM 730 C GLY A 52 4.504 -7.084 -2.980 1.00 0.96 C ATOM 731 O GLY A 52 4.327 -6.918 -1.772 1.00 1.77 O ATOM 0 H GLY A 52 5.880 -9.504 -4.155 1.00 1.03 H new ATOM 0 HA2 GLY A 52 3.237 -8.407 -4.092 1.00 0.78 H new ATOM 0 HA3 GLY A 52 4.144 -9.190 -2.813 1.00 0.78 H new ATOM 735 N GLU A 53 4.959 -6.141 -3.799 1.00 0.82 N ATOM 736 CA GLU A 53 5.058 -4.741 -3.490 1.00 0.80 C ATOM 737 C GLU A 53 4.196 -3.899 -4.433 1.00 0.83 C ATOM 738 O GLU A 53 4.068 -4.203 -5.619 1.00 0.97 O ATOM 739 CB GLU A 53 6.522 -4.342 -3.610 1.00 0.80 C ATOM 740 CG GLU A 53 7.345 -4.955 -2.467 1.00 1.48 C ATOM 741 CD GLU A 53 8.013 -6.272 -2.819 1.00 2.84 C ATOM 742 OE1 GLU A 53 8.091 -6.608 -4.021 1.00 3.77 O ATOM 743 OE2 GLU A 53 8.508 -6.927 -1.878 1.00 3.80 O ATOM 0 H GLU A 53 5.282 -6.357 -4.742 1.00 0.82 H new ATOM 0 HA GLU A 53 4.692 -4.561 -2.479 1.00 0.80 H new ATOM 0 HB2 GLU A 53 6.918 -4.675 -4.569 1.00 0.80 H new ATOM 0 HB3 GLU A 53 6.611 -3.256 -3.588 1.00 0.80 H new ATOM 0 HG2 GLU A 53 8.111 -4.242 -2.163 1.00 1.48 H new ATOM 0 HG3 GLU A 53 6.693 -5.109 -1.607 1.00 1.48 H new ATOM 750 N ASN A 54 3.661 -2.786 -3.928 1.00 0.83 N ATOM 751 CA ASN A 54 2.895 -1.808 -4.696 1.00 0.86 C ATOM 752 C ASN A 54 3.302 -0.411 -4.236 1.00 0.73 C ATOM 753 O ASN A 54 3.505 -0.218 -3.039 1.00 0.88 O ATOM 754 CB ASN A 54 1.405 -2.050 -4.462 1.00 1.24 C ATOM 755 CG ASN A 54 0.530 -1.479 -5.560 1.00 0.94 C ATOM 756 OD1 ASN A 54 0.972 -0.697 -6.399 1.00 2.17 O ATOM 757 ND2 ASN A 54 -0.723 -1.914 -5.583 1.00 1.26 N ATOM 0 H ASN A 54 3.753 -2.535 -2.944 1.00 0.83 H new ATOM 0 HA ASN A 54 3.096 -1.903 -5.763 1.00 0.86 H new ATOM 0 HB2 ASN A 54 1.225 -3.122 -4.383 1.00 1.24 H new ATOM 0 HB3 ASN A 54 1.116 -1.607 -3.509 1.00 1.24 H new ATOM 0 HD21 ASN A 54 -1.359 -1.599 -6.316 1.00 1.26 H new ATOM 0 HD22 ASN A 54 -1.051 -2.563 -4.868 1.00 1.26 H new ATOM 764 N LEU A 55 3.495 0.539 -5.156 1.00 0.68 N ATOM 765 CA LEU A 55 4.136 1.823 -4.871 1.00 0.59 C ATOM 766 C LEU A 55 3.281 2.990 -5.357 1.00 0.60 C ATOM 767 O LEU A 55 2.534 2.841 -6.327 1.00 0.62 O ATOM 768 CB LEU A 55 5.480 1.942 -5.604 1.00 0.63 C ATOM 769 CG LEU A 55 6.477 0.783 -5.478 1.00 0.63 C ATOM 770 CD1 LEU A 55 7.738 1.178 -6.254 1.00 0.81 C ATOM 771 CD2 LEU A 55 6.865 0.447 -4.037 1.00 0.64 C ATOM 0 H LEU A 55 3.207 0.436 -6.129 1.00 0.68 H new ATOM 0 HA LEU A 55 4.270 1.862 -3.790 1.00 0.59 H new ATOM 0 HB2 LEU A 55 5.270 2.087 -6.664 1.00 0.63 H new ATOM 0 HB3 LEU A 55 5.974 2.847 -5.250 1.00 0.63 H new ATOM 0 HG LEU A 55 5.997 -0.111 -5.876 1.00 0.63 H new ATOM 0 HD11 LEU A 55 8.473 0.376 -6.187 1.00 0.81 H new ATOM 0 HD12 LEU A 55 7.483 1.350 -7.300 1.00 0.81 H new ATOM 0 HD13 LEU A 55 8.157 2.090 -5.828 1.00 0.81 H new ATOM 0 HD21 LEU A 55 7.572 -0.382 -4.035 1.00 0.64 H new ATOM 0 HD22 LEU A 55 7.326 1.318 -3.572 1.00 0.64 H new ATOM 0 HD23 LEU A 55 5.974 0.165 -3.476 1.00 0.64 H new ATOM 783 N ALA A 56 3.476 4.184 -4.797 1.00 0.58 N ATOM 784 CA ALA A 56 2.971 5.429 -5.360 1.00 0.51 C ATOM 785 C ALA A 56 3.826 6.599 -4.875 1.00 0.64 C ATOM 786 O ALA A 56 4.467 6.481 -3.831 1.00 0.69 O ATOM 787 CB ALA A 56 1.521 5.638 -4.927 1.00 0.54 C ATOM 0 H ALA A 56 3.996 4.312 -3.929 1.00 0.58 H new ATOM 0 HA ALA A 56 3.018 5.376 -6.448 1.00 0.51 H new ATOM 0 HB1 ALA A 56 1.146 6.570 -5.350 1.00 0.54 H new ATOM 0 HB2 ALA A 56 0.912 4.807 -5.283 1.00 0.54 H new ATOM 0 HB3 ALA A 56 1.469 5.686 -3.839 1.00 0.54 H new ATOM 793 N LYS A 57 3.816 7.720 -5.601 1.00 0.90 N ATOM 794 CA LYS A 57 4.324 8.998 -5.114 1.00 1.08 C ATOM 795 C LYS A 57 3.241 10.053 -5.261 1.00 1.16 C ATOM 796 O LYS A 57 2.404 9.952 -6.157 1.00 1.30 O ATOM 797 CB LYS A 57 5.614 9.457 -5.826 1.00 1.33 C ATOM 798 CG LYS A 57 5.522 9.748 -7.340 1.00 1.54 C ATOM 799 CD LYS A 57 5.862 11.196 -7.729 1.00 2.75 C ATOM 800 CE LYS A 57 4.729 12.150 -7.361 1.00 4.49 C ATOM 801 NZ LYS A 57 4.808 13.439 -8.071 1.00 5.38 N ATOM 0 H LYS A 57 3.451 7.763 -6.552 1.00 0.90 H new ATOM 0 HA LYS A 57 4.589 8.862 -4.065 1.00 1.08 H new ATOM 0 HB2 LYS A 57 5.970 10.360 -5.330 1.00 1.33 H new ATOM 0 HB3 LYS A 57 6.374 8.690 -5.675 1.00 1.33 H new ATOM 0 HG2 LYS A 57 6.196 9.074 -7.869 1.00 1.54 H new ATOM 0 HG3 LYS A 57 4.512 9.520 -7.681 1.00 1.54 H new ATOM 0 HD2 LYS A 57 6.778 11.505 -7.225 1.00 2.75 H new ATOM 0 HD3 LYS A 57 6.053 11.252 -8.801 1.00 2.75 H new ATOM 0 HE2 LYS A 57 3.774 11.675 -7.586 1.00 4.49 H new ATOM 0 HE3 LYS A 57 4.749 12.332 -6.286 1.00 4.49 H new ATOM 0 HZ1 LYS A 57 3.876 13.901 -8.057 1.00 5.38 H new ATOM 0 HZ2 LYS A 57 5.505 14.052 -7.602 1.00 5.38 H new ATOM 0 HZ3 LYS A 57 5.099 13.276 -9.056 1.00 5.38 H new ATOM 815 N GLY A 58 3.318 11.104 -4.457 1.00 1.30 N ATOM 816 CA GLY A 58 2.581 12.335 -4.663 1.00 1.37 C ATOM 817 C GLY A 58 3.364 13.437 -3.967 1.00 1.27 C ATOM 818 O GLY A 58 3.848 13.227 -2.855 1.00 2.57 O ATOM 0 H GLY A 58 3.909 11.121 -3.626 1.00 1.30 H new ATOM 0 HA2 GLY A 58 2.475 12.549 -5.727 1.00 1.37 H new ATOM 0 HA3 GLY A 58 1.575 12.257 -4.252 1.00 1.37 H new ATOM 822 N GLY A 59 3.565 14.577 -4.619 1.00 1.23 N ATOM 823 CA GLY A 59 3.953 15.785 -3.913 1.00 1.27 C ATOM 824 C GLY A 59 2.661 16.403 -3.397 1.00 1.51 C ATOM 825 O GLY A 59 1.638 16.304 -4.075 1.00 3.21 O ATOM 0 H GLY A 59 3.466 14.686 -5.628 1.00 1.23 H new ATOM 0 HA2 GLY A 59 4.631 15.556 -3.091 1.00 1.27 H new ATOM 0 HA3 GLY A 59 4.477 16.473 -4.576 1.00 1.27 H new ATOM 829 N GLY A 60 2.680 17.022 -2.221 1.00 1.26 N ATOM 830 CA GLY A 60 1.483 17.583 -1.618 1.00 1.57 C ATOM 831 C GLY A 60 0.743 16.523 -0.806 1.00 1.55 C ATOM 832 O GLY A 60 -0.065 15.780 -1.352 1.00 2.72 O ATOM 0 H GLY A 60 3.525 17.147 -1.663 1.00 1.26 H new ATOM 0 HA2 GLY A 60 1.752 18.420 -0.974 1.00 1.57 H new ATOM 0 HA3 GLY A 60 0.828 17.976 -2.395 1.00 1.57 H new ATOM 836 N ASP A 61 1.056 16.445 0.493 1.00 1.72 N ATOM 837 CA ASP A 61 0.343 15.723 1.556 1.00 1.83 C ATOM 838 C ASP A 61 -0.166 14.311 1.264 1.00 1.63 C ATOM 839 O ASP A 61 -1.010 13.798 1.995 1.00 2.01 O ATOM 840 CB ASP A 61 -0.786 16.588 2.134 1.00 2.30 C ATOM 841 CG ASP A 61 -1.954 16.727 1.182 1.00 2.45 C ATOM 842 OD1 ASP A 61 -2.740 15.776 1.009 1.00 3.24 O ATOM 843 OD2 ASP A 61 -2.136 17.857 0.688 1.00 2.93 O ATOM 0 H ASP A 61 1.880 16.923 0.858 1.00 1.72 H new ATOM 0 HA ASP A 61 1.133 15.545 2.285 1.00 1.83 H new ATOM 0 HB2 ASP A 61 -1.134 16.149 3.069 1.00 2.30 H new ATOM 0 HB3 ASP A 61 -0.396 17.577 2.372 1.00 2.30 H new ATOM 848 N PHE A 62 0.417 13.651 0.277 1.00 1.26 N ATOM 849 CA PHE A 62 -0.159 12.485 -0.375 1.00 1.03 C ATOM 850 C PHE A 62 -0.528 11.398 0.639 1.00 0.93 C ATOM 851 O PHE A 62 0.362 10.800 1.254 1.00 1.29 O ATOM 852 CB PHE A 62 0.860 11.979 -1.393 1.00 1.06 C ATOM 853 CG PHE A 62 0.392 10.866 -2.300 1.00 0.94 C ATOM 854 CD1 PHE A 62 -0.701 11.070 -3.164 1.00 1.53 C ATOM 855 CD2 PHE A 62 1.184 9.713 -2.434 1.00 1.81 C ATOM 856 CE1 PHE A 62 -1.001 10.120 -4.155 1.00 1.54 C ATOM 857 CE2 PHE A 62 0.866 8.752 -3.403 1.00 1.82 C ATOM 858 CZ PHE A 62 -0.224 8.955 -4.269 1.00 0.98 C ATOM 0 H PHE A 62 1.326 13.917 -0.103 1.00 1.26 H new ATOM 0 HA PHE A 62 -1.088 12.756 -0.876 1.00 1.03 H new ATOM 0 HB2 PHE A 62 1.173 12.819 -2.013 1.00 1.06 H new ATOM 0 HB3 PHE A 62 1.743 11.635 -0.854 1.00 1.06 H new ATOM 0 HD1 PHE A 62 -1.309 11.957 -3.065 1.00 1.53 H new ATOM 0 HD2 PHE A 62 2.038 9.567 -1.790 1.00 1.81 H new ATOM 0 HE1 PHE A 62 -1.829 10.285 -4.829 1.00 1.54 H new ATOM 0 HE2 PHE A 62 1.459 7.853 -3.485 1.00 1.82 H new ATOM 0 HZ PHE A 62 -0.463 8.217 -5.020 1.00 0.98 H new ATOM 868 N THR A 63 -1.823 11.188 0.869 1.00 0.96 N ATOM 869 CA THR A 63 -2.329 10.198 1.802 1.00 0.83 C ATOM 870 C THR A 63 -2.383 8.822 1.130 1.00 0.93 C ATOM 871 O THR A 63 -2.527 8.699 -0.087 1.00 1.67 O ATOM 872 CB THR A 63 -3.707 10.634 2.322 1.00 0.91 C ATOM 873 OG1 THR A 63 -4.592 10.897 1.254 1.00 1.14 O ATOM 874 CG2 THR A 63 -3.610 11.874 3.215 1.00 1.36 C ATOM 0 H THR A 63 -2.560 11.715 0.400 1.00 0.96 H new ATOM 0 HA THR A 63 -1.657 10.120 2.657 1.00 0.83 H new ATOM 0 HB THR A 63 -4.094 9.807 2.917 1.00 0.91 H new ATOM 0 HG1 THR A 63 -5.237 11.584 1.525 1.00 1.14 H new ATOM 0 HG21 THR A 63 -4.605 12.151 3.563 1.00 1.36 H new ATOM 0 HG22 THR A 63 -2.974 11.656 4.073 1.00 1.36 H new ATOM 0 HG23 THR A 63 -3.182 12.699 2.646 1.00 1.36 H new ATOM 882 N GLY A 64 -2.286 7.760 1.926 1.00 0.74 N ATOM 883 CA GLY A 64 -2.267 6.411 1.397 1.00 0.70 C ATOM 884 C GLY A 64 -3.550 6.047 0.661 1.00 0.63 C ATOM 885 O GLY A 64 -3.487 5.306 -0.317 1.00 0.58 O ATOM 0 H GLY A 64 -2.219 7.815 2.942 1.00 0.74 H new ATOM 0 HA2 GLY A 64 -1.421 6.304 0.718 1.00 0.70 H new ATOM 0 HA3 GLY A 64 -2.110 5.707 2.215 1.00 0.70 H new ATOM 889 N ARG A 65 -4.712 6.573 1.068 1.00 0.72 N ATOM 890 CA ARG A 65 -5.926 6.356 0.293 1.00 0.79 C ATOM 891 C ARG A 65 -5.685 6.759 -1.156 1.00 0.64 C ATOM 892 O ARG A 65 -6.028 5.991 -2.044 1.00 0.71 O ATOM 893 CB ARG A 65 -7.154 7.067 0.885 1.00 1.07 C ATOM 894 CG ARG A 65 -8.339 7.049 -0.101 1.00 1.75 C ATOM 895 CD ARG A 65 -9.713 7.240 0.564 1.00 1.96 C ATOM 896 NE ARG A 65 -10.492 8.307 -0.088 1.00 3.03 N ATOM 897 CZ ARG A 65 -11.159 8.248 -1.253 1.00 4.14 C ATOM 898 NH1 ARG A 65 -11.301 7.102 -1.914 1.00 4.80 N ATOM 899 NH2 ARG A 65 -11.670 9.366 -1.752 1.00 5.49 N ATOM 0 H ARG A 65 -4.831 7.137 1.909 1.00 0.72 H new ATOM 0 HA ARG A 65 -6.160 5.292 0.335 1.00 0.79 H new ATOM 0 HB2 ARG A 65 -7.445 6.581 1.816 1.00 1.07 H new ATOM 0 HB3 ARG A 65 -6.897 8.098 1.130 1.00 1.07 H new ATOM 0 HG2 ARG A 65 -8.193 7.835 -0.842 1.00 1.75 H new ATOM 0 HG3 ARG A 65 -8.336 6.101 -0.638 1.00 1.75 H new ATOM 0 HD2 ARG A 65 -10.271 6.305 0.521 1.00 1.96 H new ATOM 0 HD3 ARG A 65 -9.576 7.482 1.618 1.00 1.96 H new ATOM 0 HE ARG A 65 -10.530 9.199 0.405 1.00 3.03 H new ATOM 0 HH11 ARG A 65 -10.899 6.243 -1.538 1.00 4.80 H new ATOM 0 HH12 ARG A 65 -11.812 7.082 -2.797 1.00 4.80 H new ATOM 0 HH21 ARG A 65 -11.553 10.248 -1.253 1.00 5.49 H new ATOM 0 HH22 ARG A 65 -12.180 9.344 -2.635 1.00 5.49 H new ATOM 913 N ALA A 66 -5.097 7.931 -1.402 1.00 0.54 N ATOM 914 CA ALA A 66 -4.823 8.391 -2.758 1.00 0.61 C ATOM 915 C ALA A 66 -3.916 7.395 -3.488 1.00 0.54 C ATOM 916 O ALA A 66 -4.139 7.092 -4.659 1.00 0.61 O ATOM 917 CB ALA A 66 -4.211 9.794 -2.725 1.00 0.65 C ATOM 0 H ALA A 66 -4.801 8.580 -0.673 1.00 0.54 H new ATOM 0 HA ALA A 66 -5.760 8.448 -3.312 1.00 0.61 H new ATOM 0 HB1 ALA A 66 -4.010 10.128 -3.743 1.00 0.65 H new ATOM 0 HB2 ALA A 66 -4.907 10.484 -2.248 1.00 0.65 H new ATOM 0 HB3 ALA A 66 -3.279 9.771 -2.160 1.00 0.65 H new ATOM 923 N ALA A 67 -2.913 6.850 -2.795 1.00 0.44 N ATOM 924 CA ALA A 67 -2.035 5.829 -3.351 1.00 0.47 C ATOM 925 C ALA A 67 -2.811 4.571 -3.752 1.00 0.42 C ATOM 926 O ALA A 67 -2.723 4.141 -4.901 1.00 0.53 O ATOM 927 CB ALA A 67 -0.915 5.496 -2.363 1.00 0.52 C ATOM 0 H ALA A 67 -2.690 7.107 -1.833 1.00 0.44 H new ATOM 0 HA ALA A 67 -1.587 6.231 -4.260 1.00 0.47 H new ATOM 0 HB1 ALA A 67 -0.267 4.732 -2.792 1.00 0.52 H new ATOM 0 HB2 ALA A 67 -0.331 6.394 -2.158 1.00 0.52 H new ATOM 0 HB3 ALA A 67 -1.348 5.125 -1.434 1.00 0.52 H new ATOM 933 N VAL A 68 -3.586 3.969 -2.847 1.00 0.34 N ATOM 934 CA VAL A 68 -4.366 2.787 -3.214 1.00 0.34 C ATOM 935 C VAL A 68 -5.301 3.134 -4.357 1.00 0.44 C ATOM 936 O VAL A 68 -5.422 2.409 -5.338 1.00 0.50 O ATOM 937 CB VAL A 68 -5.161 2.200 -2.041 1.00 0.34 C ATOM 938 CG1 VAL A 68 -5.757 0.851 -2.481 1.00 0.37 C ATOM 939 CG2 VAL A 68 -4.239 1.979 -0.851 1.00 0.36 C ATOM 0 H VAL A 68 -3.689 4.271 -1.878 1.00 0.34 H new ATOM 0 HA VAL A 68 -3.658 2.018 -3.522 1.00 0.34 H new ATOM 0 HB VAL A 68 -5.955 2.888 -1.752 1.00 0.34 H new ATOM 0 HG11 VAL A 68 -6.326 0.419 -1.658 1.00 0.37 H new ATOM 0 HG12 VAL A 68 -6.415 1.006 -3.336 1.00 0.37 H new ATOM 0 HG13 VAL A 68 -4.952 0.172 -2.761 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -4.810 1.562 -0.021 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -3.445 1.286 -1.130 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -3.801 2.930 -0.548 1.00 0.36 H new ATOM 949 N GLN A 69 -5.954 4.275 -4.235 1.00 0.51 N ATOM 950 CA GLN A 69 -6.812 4.802 -5.260 1.00 0.64 C ATOM 951 C GLN A 69 -6.060 5.013 -6.569 1.00 0.71 C ATOM 952 O GLN A 69 -6.711 5.024 -7.606 1.00 0.82 O ATOM 953 CB GLN A 69 -7.417 6.107 -4.759 1.00 0.71 C ATOM 954 CG GLN A 69 -8.590 5.829 -3.813 1.00 0.79 C ATOM 955 CD GLN A 69 -9.856 5.393 -4.544 1.00 1.91 C ATOM 956 OE1 GLN A 69 -10.017 5.612 -5.744 1.00 3.24 O ATOM 957 NE2 GLN A 69 -10.773 4.768 -3.822 1.00 2.71 N ATOM 0 H GLN A 69 -5.897 4.865 -3.405 1.00 0.51 H new ATOM 0 HA GLN A 69 -7.605 4.084 -5.470 1.00 0.64 H new ATOM 0 HB2 GLN A 69 -6.656 6.692 -4.242 1.00 0.71 H new ATOM 0 HB3 GLN A 69 -7.758 6.704 -5.605 1.00 0.71 H new ATOM 0 HG2 GLN A 69 -8.301 5.053 -3.104 1.00 0.79 H new ATOM 0 HG3 GLN A 69 -8.803 6.727 -3.234 1.00 0.79 H new ATOM 0 HE21 GLN A 69 -10.613 4.600 -2.829 1.00 2.71 H new ATOM 0 HE22 GLN A 69 -11.640 4.455 -4.259 1.00 2.71 H new ATOM 966 N LEU A 70 -4.740 5.213 -6.574 1.00 0.75 N ATOM 967 CA LEU A 70 -4.027 5.394 -7.823 1.00 0.85 C ATOM 968 C LEU A 70 -3.940 3.985 -8.417 1.00 0.80 C ATOM 969 O LEU A 70 -4.231 3.780 -9.586 1.00 0.82 O ATOM 970 CB LEU A 70 -2.689 6.115 -7.550 1.00 0.90 C ATOM 971 CG LEU A 70 -1.638 6.142 -8.671 1.00 1.04 C ATOM 972 CD1 LEU A 70 -0.888 4.832 -8.925 1.00 2.57 C ATOM 973 CD2 LEU A 70 -2.275 6.706 -9.940 1.00 1.97 C ATOM 0 H LEU A 70 -4.158 5.252 -5.737 1.00 0.75 H new ATOM 0 HA LEU A 70 -4.511 6.043 -8.553 1.00 0.85 H new ATOM 0 HB2 LEU A 70 -2.915 7.147 -7.281 1.00 0.90 H new ATOM 0 HB3 LEU A 70 -2.232 5.650 -6.676 1.00 0.90 H new ATOM 0 HG LEU A 70 -0.841 6.800 -8.323 1.00 1.04 H new ATOM 0 HD11 LEU A 70 -0.174 4.973 -9.737 1.00 2.57 H new ATOM 0 HD12 LEU A 70 -0.356 4.536 -8.021 1.00 2.57 H new ATOM 0 HD13 LEU A 70 -1.599 4.053 -9.199 1.00 2.57 H new ATOM 0 HD21 LEU A 70 -1.535 6.728 -10.740 1.00 1.97 H new ATOM 0 HD22 LEU A 70 -3.112 6.075 -10.238 1.00 1.97 H new ATOM 0 HD23 LEU A 70 -2.633 7.718 -9.749 1.00 1.97 H new ATOM 985 N TRP A 71 -3.644 2.975 -7.598 1.00 0.74 N ATOM 986 CA TRP A 71 -3.651 1.577 -8.031 1.00 0.69 C ATOM 987 C TRP A 71 -5.021 1.198 -8.612 1.00 0.68 C ATOM 988 O TRP A 71 -5.111 0.548 -9.655 1.00 0.81 O ATOM 989 CB TRP A 71 -3.184 0.670 -6.871 1.00 0.60 C ATOM 990 CG TRP A 71 -1.936 1.154 -6.181 1.00 0.62 C ATOM 991 CD1 TRP A 71 -1.028 1.953 -6.775 1.00 0.81 C ATOM 992 CD2 TRP A 71 -1.463 1.003 -4.796 1.00 0.52 C ATOM 993 NE1 TRP A 71 -0.171 2.453 -5.833 1.00 0.72 N ATOM 994 CE2 TRP A 71 -0.347 1.869 -4.605 1.00 0.55 C ATOM 995 CE3 TRP A 71 -1.835 0.220 -3.682 1.00 0.51 C ATOM 996 CZ2 TRP A 71 0.320 1.999 -3.378 1.00 0.50 C ATOM 997 CZ3 TRP A 71 -1.101 0.257 -2.481 1.00 0.54 C ATOM 998 CH2 TRP A 71 -0.065 1.185 -2.307 1.00 0.54 C ATOM 0 H TRP A 71 -3.393 3.102 -6.618 1.00 0.74 H new ATOM 0 HA TRP A 71 -2.940 1.430 -8.844 1.00 0.69 H new ATOM 0 HB2 TRP A 71 -3.986 0.593 -6.137 1.00 0.60 H new ATOM 0 HB3 TRP A 71 -3.008 -0.334 -7.257 1.00 0.60 H new ATOM 0 HD1 TRP A 71 -0.984 2.166 -7.833 1.00 0.81 H new ATOM 0 HE1 TRP A 71 0.521 3.178 -6.023 1.00 0.72 H new ATOM 0 HE3 TRP A 71 -2.701 -0.421 -3.752 1.00 0.51 H new ATOM 0 HZ2 TRP A 71 1.119 2.717 -3.262 1.00 0.50 H new ATOM 0 HZ3 TRP A 71 -1.338 -0.436 -1.687 1.00 0.54 H new ATOM 0 HH2 TRP A 71 0.433 1.271 -1.352 1.00 0.54 H new ATOM 1009 N VAL A 72 -6.088 1.638 -7.949 1.00 0.62 N ATOM 1010 CA VAL A 72 -7.472 1.380 -8.322 1.00 0.63 C ATOM 1011 C VAL A 72 -8.009 2.436 -9.297 1.00 0.67 C ATOM 1012 O VAL A 72 -9.172 2.363 -9.673 1.00 0.82 O ATOM 1013 CB VAL A 72 -8.312 1.267 -7.034 1.00 0.63 C ATOM 1014 CG1 VAL A 72 -9.809 1.003 -7.257 1.00 0.61 C ATOM 1015 CG2 VAL A 72 -7.804 0.123 -6.146 1.00 0.74 C ATOM 0 H VAL A 72 -6.006 2.205 -7.105 1.00 0.62 H new ATOM 0 HA VAL A 72 -7.538 0.437 -8.865 1.00 0.63 H new ATOM 0 HB VAL A 72 -8.198 2.246 -6.568 1.00 0.63 H new ATOM 0 HG11 VAL A 72 -10.315 0.940 -6.294 1.00 0.61 H new ATOM 0 HG12 VAL A 72 -10.239 1.817 -7.840 1.00 0.61 H new ATOM 0 HG13 VAL A 72 -9.937 0.064 -7.796 1.00 0.61 H new ATOM 0 HG21 VAL A 72 -8.413 0.064 -5.244 1.00 0.74 H new ATOM 0 HG22 VAL A 72 -7.872 -0.818 -6.691 1.00 0.74 H new ATOM 0 HG23 VAL A 72 -6.766 0.309 -5.871 1.00 0.74 H new ATOM 1025 N SER A 73 -7.202 3.396 -9.755 1.00 0.79 N ATOM 1026 CA SER A 73 -7.667 4.339 -10.771 1.00 0.88 C ATOM 1027 C SER A 73 -8.175 3.540 -11.971 1.00 0.72 C ATOM 1028 O SER A 73 -9.251 3.799 -12.510 1.00 0.95 O ATOM 1029 CB SER A 73 -6.569 5.339 -11.151 1.00 1.19 C ATOM 1030 OG SER A 73 -5.489 4.704 -11.813 1.00 2.64 O ATOM 0 H SER A 73 -6.241 3.539 -9.445 1.00 0.79 H new ATOM 0 HA SER A 73 -8.486 4.940 -10.377 1.00 0.88 H new ATOM 0 HB2 SER A 73 -6.988 6.112 -11.796 1.00 1.19 H new ATOM 0 HB3 SER A 73 -6.203 5.837 -10.253 1.00 1.19 H new ATOM 0 HG SER A 73 -4.838 4.391 -11.151 1.00 2.64 H new ATOM 1036 N GLU A 74 -7.433 2.490 -12.318 1.00 0.83 N ATOM 1037 CA GLU A 74 -7.794 1.453 -13.269 1.00 0.81 C ATOM 1038 C GLU A 74 -8.903 0.546 -12.712 1.00 0.77 C ATOM 1039 O GLU A 74 -8.859 -0.664 -12.910 1.00 1.19 O ATOM 1040 CB GLU A 74 -6.528 0.633 -13.569 1.00 1.16 C ATOM 1041 CG GLU A 74 -5.421 1.502 -14.186 1.00 2.33 C ATOM 1042 CD GLU A 74 -5.619 1.766 -15.666 1.00 3.44 C ATOM 1043 OE1 GLU A 74 -6.454 1.091 -16.302 1.00 4.30 O ATOM 1044 OE2 GLU A 74 -4.927 2.670 -16.178 1.00 4.41 O ATOM 0 H GLU A 74 -6.509 2.336 -11.915 1.00 0.83 H new ATOM 0 HA GLU A 74 -8.182 1.907 -14.181 1.00 0.81 H new ATOM 0 HB2 GLU A 74 -6.163 0.178 -12.648 1.00 1.16 H new ATOM 0 HB3 GLU A 74 -6.775 -0.181 -14.251 1.00 1.16 H new ATOM 0 HG2 GLU A 74 -5.379 2.454 -13.657 1.00 2.33 H new ATOM 0 HG3 GLU A 74 -4.459 1.012 -14.037 1.00 2.33 H new ATOM 1051 N ARG A 75 -9.911 1.089 -12.028 1.00 0.79 N ATOM 1052 CA ARG A 75 -11.066 0.306 -11.628 1.00 1.09 C ATOM 1053 C ARG A 75 -11.689 -0.363 -12.861 1.00 1.30 C ATOM 1054 O ARG A 75 -11.857 -1.583 -12.845 1.00 1.60 O ATOM 1055 CB ARG A 75 -12.061 1.119 -10.779 1.00 1.14 C ATOM 1056 CG ARG A 75 -12.839 0.203 -9.823 1.00 1.81 C ATOM 1057 CD ARG A 75 -13.847 0.958 -8.950 1.00 1.71 C ATOM 1058 NE ARG A 75 -13.178 2.002 -8.154 1.00 2.98 N ATOM 1059 CZ ARG A 75 -13.206 2.194 -6.827 1.00 4.10 C ATOM 1060 NH1 ARG A 75 -13.944 1.440 -6.012 1.00 4.43 N ATOM 1061 NH2 ARG A 75 -12.476 3.173 -6.313 1.00 5.67 N ATOM 0 H ARG A 75 -9.945 2.068 -11.743 1.00 0.79 H new ATOM 0 HA ARG A 75 -10.742 -0.493 -10.961 1.00 1.09 H new ATOM 0 HB2 ARG A 75 -11.524 1.876 -10.208 1.00 1.14 H new ATOM 0 HB3 ARG A 75 -12.757 1.646 -11.432 1.00 1.14 H new ATOM 0 HG2 ARG A 75 -13.366 -0.554 -10.404 1.00 1.81 H new ATOM 0 HG3 ARG A 75 -12.134 -0.323 -9.180 1.00 1.81 H new ATOM 0 HD2 ARG A 75 -14.612 1.411 -9.580 1.00 1.71 H new ATOM 0 HD3 ARG A 75 -14.354 0.258 -8.286 1.00 1.71 H new ATOM 0 HE ARG A 75 -12.618 2.669 -8.684 1.00 2.98 H new ATOM 0 HH11 ARG A 75 -14.514 0.685 -6.393 1.00 4.43 H new ATOM 0 HH12 ARG A 75 -13.938 1.618 -5.008 1.00 4.43 H new ATOM 0 HH21 ARG A 75 -11.909 3.761 -6.924 1.00 5.67 H new ATOM 0 HH22 ARG A 75 -12.481 3.339 -5.307 1.00 5.67 H new ATOM 1075 N PRO A 76 -11.969 0.368 -13.959 1.00 1.31 N ATOM 1076 CA PRO A 76 -12.468 -0.247 -15.176 1.00 1.62 C ATOM 1077 C PRO A 76 -11.337 -0.958 -15.938 1.00 1.50 C ATOM 1078 O PRO A 76 -10.971 -0.569 -17.054 1.00 2.03 O ATOM 1079 CB PRO A 76 -13.109 0.896 -15.968 1.00 1.95 C ATOM 1080 CG PRO A 76 -12.253 2.097 -15.583 1.00 1.58 C ATOM 1081 CD PRO A 76 -11.925 1.821 -14.117 1.00 1.28 C ATOM 0 HA PRO A 76 -13.200 -1.031 -14.983 1.00 1.62 H new ATOM 0 HB2 PRO A 76 -13.083 0.708 -17.041 1.00 1.95 H new ATOM 0 HB3 PRO A 76 -14.154 1.040 -15.695 1.00 1.95 H new ATOM 0 HG2 PRO A 76 -11.352 2.164 -16.193 1.00 1.58 H new ATOM 0 HG3 PRO A 76 -12.793 3.036 -15.707 1.00 1.58 H new ATOM 0 HD2 PRO A 76 -10.941 2.212 -13.857 1.00 1.28 H new ATOM 0 HD3 PRO A 76 -12.645 2.307 -13.458 1.00 1.28 H new ATOM 1089 N SER A 77 -10.756 -1.996 -15.337 1.00 1.82 N ATOM 1090 CA SER A 77 -10.012 -3.013 -16.055 1.00 1.78 C ATOM 1091 C SER A 77 -10.346 -4.417 -15.570 1.00 1.75 C ATOM 1092 O SER A 77 -10.315 -5.349 -16.360 1.00 1.77 O ATOM 1093 CB SER A 77 -8.521 -2.756 -15.926 1.00 2.16 C ATOM 1094 OG SER A 77 -8.104 -2.694 -14.580 1.00 2.99 O ATOM 0 H SER A 77 -10.793 -2.150 -14.329 1.00 1.82 H new ATOM 0 HA SER A 77 -10.303 -2.953 -17.104 1.00 1.78 H new ATOM 0 HB2 SER A 77 -7.972 -3.547 -16.438 1.00 2.16 H new ATOM 0 HB3 SER A 77 -8.271 -1.820 -16.425 1.00 2.16 H new ATOM 0 HG SER A 77 -8.531 -1.929 -14.140 1.00 2.99 H new ATOM 1100 N TYR A 78 -10.602 -4.620 -14.279 1.00 1.86 N ATOM 1101 CA TYR A 78 -10.743 -5.976 -13.770 1.00 1.89 C ATOM 1102 C TYR A 78 -12.183 -6.405 -14.046 1.00 1.90 C ATOM 1103 O TYR A 78 -13.119 -5.757 -13.587 1.00 2.25 O ATOM 1104 CB TYR A 78 -10.350 -6.038 -12.289 1.00 2.17 C ATOM 1105 CG TYR A 78 -11.219 -5.229 -11.348 1.00 1.34 C ATOM 1106 CD1 TYR A 78 -10.903 -3.892 -11.049 1.00 1.57 C ATOM 1107 CD2 TYR A 78 -12.343 -5.827 -10.750 1.00 2.22 C ATOM 1108 CE1 TYR A 78 -11.724 -3.170 -10.171 1.00 1.96 C ATOM 1109 CE2 TYR A 78 -13.218 -5.066 -9.963 1.00 2.03 C ATOM 1110 CZ TYR A 78 -12.909 -3.731 -9.676 1.00 1.52 C ATOM 1111 OH TYR A 78 -13.762 -2.983 -8.921 1.00 2.29 O ATOM 0 H TYR A 78 -10.713 -3.881 -13.584 1.00 1.86 H new ATOM 0 HA TYR A 78 -10.069 -6.674 -14.267 1.00 1.89 H new ATOM 0 HB2 TYR A 78 -10.371 -7.080 -11.969 1.00 2.17 H new ATOM 0 HB3 TYR A 78 -9.320 -5.695 -12.190 1.00 2.17 H new ATOM 0 HD1 TYR A 78 -10.036 -3.425 -11.492 1.00 1.57 H new ATOM 0 HD2 TYR A 78 -12.533 -6.880 -10.898 1.00 2.22 H new ATOM 0 HE1 TYR A 78 -11.440 -2.171 -9.873 1.00 1.96 H new ATOM 0 HE2 TYR A 78 -14.126 -5.507 -9.580 1.00 2.03 H new ATOM 0 HH TYR A 78 -14.672 -3.066 -9.276 1.00 2.29 H new ATOM 1121 N ASN A 79 -12.362 -7.437 -14.868 1.00 1.62 N ATOM 1122 CA ASN A 79 -13.665 -7.980 -15.217 1.00 1.72 C ATOM 1123 C ASN A 79 -13.703 -9.419 -14.729 1.00 1.76 C ATOM 1124 O ASN A 79 -13.166 -10.318 -15.381 1.00 2.53 O ATOM 1125 CB ASN A 79 -13.902 -7.881 -16.728 1.00 1.81 C ATOM 1126 CG ASN A 79 -15.129 -8.695 -17.130 1.00 2.42 C ATOM 1127 OD1 ASN A 79 -16.260 -8.350 -16.800 1.00 1.88 O ATOM 1128 ND2 ASN A 79 -14.933 -9.793 -17.844 1.00 4.20 N ATOM 0 H ASN A 79 -11.587 -7.926 -15.317 1.00 1.62 H new ATOM 0 HA ASN A 79 -14.465 -7.412 -14.743 1.00 1.72 H new ATOM 0 HB2 ASN A 79 -14.041 -6.838 -17.013 1.00 1.81 H new ATOM 0 HB3 ASN A 79 -13.025 -8.244 -17.264 1.00 1.81 H new ATOM 0 HD21 ASN A 79 -15.728 -10.366 -18.128 1.00 4.20 H new ATOM 0 HD22 ASN A 79 -13.987 -10.066 -18.110 1.00 4.20 H new ATOM 1135 N TYR A 80 -14.319 -9.644 -13.571 1.00 1.56 N ATOM 1136 CA TYR A 80 -14.546 -10.971 -13.058 1.00 1.59 C ATOM 1137 C TYR A 80 -15.496 -11.632 -14.051 1.00 1.80 C ATOM 1138 O TYR A 80 -16.634 -11.222 -14.269 1.00 2.70 O ATOM 1139 CB TYR A 80 -15.172 -10.944 -11.667 1.00 1.67 C ATOM 1140 CG TYR A 80 -14.803 -12.071 -10.720 1.00 1.70 C ATOM 1141 CD1 TYR A 80 -14.514 -13.368 -11.190 1.00 2.35 C ATOM 1142 CD2 TYR A 80 -14.845 -11.830 -9.335 1.00 2.62 C ATOM 1143 CE1 TYR A 80 -14.198 -14.393 -10.284 1.00 2.43 C ATOM 1144 CE2 TYR A 80 -14.495 -12.848 -8.435 1.00 2.75 C ATOM 1145 CZ TYR A 80 -14.170 -14.124 -8.908 1.00 2.00 C ATOM 1146 OH TYR A 80 -13.816 -15.096 -8.030 1.00 2.28 O ATOM 0 H TYR A 80 -14.672 -8.901 -12.968 1.00 1.56 H new ATOM 0 HA TYR A 80 -13.606 -11.513 -12.956 1.00 1.59 H new ATOM 0 HB2 TYR A 80 -14.901 -10.001 -11.192 1.00 1.67 H new ATOM 0 HB3 TYR A 80 -16.256 -10.942 -11.784 1.00 1.67 H new ATOM 0 HD1 TYR A 80 -14.536 -13.574 -12.250 1.00 2.35 H new ATOM 0 HD2 TYR A 80 -15.147 -10.862 -8.964 1.00 2.62 H new ATOM 0 HE1 TYR A 80 -13.977 -15.386 -10.646 1.00 2.43 H new ATOM 0 HE2 TYR A 80 -14.476 -12.646 -7.374 1.00 2.75 H new ATOM 0 HH TYR A 80 -12.940 -14.885 -7.644 1.00 2.28 H new ATOM 1156 N ALA A 81 -14.933 -12.634 -14.674 1.00 2.45 N ATOM 1157 CA ALA A 81 -15.509 -13.581 -15.600 1.00 2.79 C ATOM 1158 C ALA A 81 -14.431 -14.633 -15.828 1.00 3.03 C ATOM 1159 O ALA A 81 -14.383 -15.642 -15.137 1.00 3.56 O ATOM 1160 CB ALA A 81 -15.918 -12.869 -16.890 1.00 3.03 C ATOM 0 H ALA A 81 -13.943 -12.831 -14.528 1.00 2.45 H new ATOM 0 HA ALA A 81 -16.417 -14.047 -15.219 1.00 2.79 H new ATOM 0 HB1 ALA A 81 -16.351 -13.591 -17.582 1.00 3.03 H new ATOM 0 HB2 ALA A 81 -16.654 -12.098 -16.662 1.00 3.03 H new ATOM 0 HB3 ALA A 81 -15.041 -12.410 -17.346 1.00 3.03 H new ATOM 1166 N THR A 82 -13.483 -14.342 -16.717 1.00 2.87 N ATOM 1167 CA THR A 82 -12.402 -15.255 -17.062 1.00 3.15 C ATOM 1168 C THR A 82 -11.143 -14.975 -16.223 1.00 2.72 C ATOM 1169 O THR A 82 -10.033 -15.315 -16.627 1.00 2.83 O ATOM 1170 CB THR A 82 -12.220 -15.353 -18.576 1.00 3.78 C ATOM 1171 OG1 THR A 82 -11.087 -16.092 -18.982 1.00 5.54 O ATOM 1172 CG2 THR A 82 -12.160 -13.954 -19.113 1.00 3.75 C ATOM 0 H THR A 82 -13.446 -13.456 -17.221 1.00 2.87 H new ATOM 0 HA THR A 82 -12.669 -16.273 -16.777 1.00 3.15 H new ATOM 0 HB THR A 82 -13.067 -15.908 -18.980 1.00 3.78 H new ATOM 0 HG1 THR A 82 -10.421 -16.091 -18.263 1.00 5.54 H new ATOM 0 HG21 THR A 82 -12.030 -13.985 -20.195 1.00 3.75 H new ATOM 0 HG22 THR A 82 -13.087 -13.432 -18.874 1.00 3.75 H new ATOM 0 HG23 THR A 82 -11.320 -13.427 -18.662 1.00 3.75 H new ATOM 1180 N ASN A 83 -11.286 -14.320 -15.065 1.00 2.43 N ATOM 1181 CA ASN A 83 -10.163 -13.973 -14.188 1.00 2.15 C ATOM 1182 C ASN A 83 -9.101 -13.117 -14.913 1.00 1.80 C ATOM 1183 O ASN A 83 -7.945 -13.040 -14.501 1.00 2.03 O ATOM 1184 CB ASN A 83 -9.591 -15.261 -13.558 1.00 2.52 C ATOM 1185 CG ASN A 83 -8.351 -15.001 -12.711 1.00 2.69 C ATOM 1186 OD1 ASN A 83 -7.247 -15.413 -13.057 1.00 3.30 O ATOM 1187 ND2 ASN A 83 -8.499 -14.295 -11.606 1.00 2.65 N ATOM 0 H ASN A 83 -12.191 -14.014 -14.708 1.00 2.43 H new ATOM 0 HA ASN A 83 -10.522 -13.338 -13.378 1.00 2.15 H new ATOM 0 HB2 ASN A 83 -10.357 -15.729 -12.940 1.00 2.52 H new ATOM 0 HB3 ASN A 83 -9.344 -15.969 -14.349 1.00 2.52 H new ATOM 0 HD21 ASN A 83 -7.689 -14.083 -11.024 1.00 2.65 H new ATOM 0 HD22 ASN A 83 -9.424 -13.961 -11.334 1.00 2.65 H new ATOM 1194 N GLN A 84 -9.484 -12.421 -15.988 1.00 1.75 N ATOM 1195 CA GLN A 84 -8.571 -11.566 -16.735 1.00 1.65 C ATOM 1196 C GLN A 84 -8.883 -10.109 -16.443 1.00 1.48 C ATOM 1197 O GLN A 84 -9.982 -9.780 -15.997 1.00 1.82 O ATOM 1198 CB GLN A 84 -8.666 -11.823 -18.250 1.00 1.84 C ATOM 1199 CG GLN A 84 -8.366 -13.265 -18.678 1.00 2.77 C ATOM 1200 CD GLN A 84 -7.116 -13.807 -18.000 1.00 3.83 C ATOM 1201 OE1 GLN A 84 -6.016 -13.309 -18.219 1.00 4.33 O ATOM 1202 NE2 GLN A 84 -7.268 -14.785 -17.119 1.00 5.06 N ATOM 0 H GLN A 84 -10.434 -12.438 -16.360 1.00 1.75 H new ATOM 0 HA GLN A 84 -7.555 -11.800 -16.418 1.00 1.65 H new ATOM 0 HB2 GLN A 84 -9.669 -11.560 -18.587 1.00 1.84 H new ATOM 0 HB3 GLN A 84 -7.973 -11.155 -18.762 1.00 1.84 H new ATOM 0 HG2 GLN A 84 -9.217 -13.901 -18.434 1.00 2.77 H new ATOM 0 HG3 GLN A 84 -8.239 -13.304 -19.760 1.00 2.77 H new ATOM 0 HE21 GLN A 84 -8.192 -15.183 -16.954 1.00 5.06 H new ATOM 0 HE22 GLN A 84 -6.461 -15.139 -16.606 1.00 5.06 H new ATOM 1211 N CYS A 85 -7.918 -9.238 -16.715 1.00 1.39 N ATOM 1212 CA CYS A 85 -8.187 -7.822 -16.879 1.00 1.35 C ATOM 1213 C CYS A 85 -8.621 -7.619 -18.324 1.00 1.38 C ATOM 1214 O CYS A 85 -8.382 -8.475 -19.174 1.00 2.07 O ATOM 1215 CB CYS A 85 -6.954 -6.984 -16.546 1.00 1.42 C ATOM 1216 SG CYS A 85 -6.534 -6.997 -14.794 1.00 2.35 S ATOM 0 H CYS A 85 -6.937 -9.494 -16.826 1.00 1.39 H new ATOM 0 HA CYS A 85 -8.970 -7.496 -16.195 1.00 1.35 H new ATOM 0 HB2 CYS A 85 -6.105 -7.357 -17.119 1.00 1.42 H new ATOM 0 HB3 CYS A 85 -7.126 -5.956 -16.864 1.00 1.42 H new ATOM 1221 N VAL A 86 -9.292 -6.512 -18.605 1.00 1.15 N ATOM 1222 CA VAL A 86 -9.882 -6.255 -19.899 1.00 1.16 C ATOM 1223 C VAL A 86 -8.708 -5.896 -20.807 1.00 1.34 C ATOM 1224 O VAL A 86 -7.840 -5.111 -20.415 1.00 1.61 O ATOM 1225 CB VAL A 86 -10.856 -5.073 -19.775 1.00 1.11 C ATOM 1226 CG1 VAL A 86 -11.139 -4.330 -21.084 1.00 1.20 C ATOM 1227 CG2 VAL A 86 -12.146 -5.445 -19.046 1.00 1.21 C ATOM 0 H VAL A 86 -9.441 -5.762 -17.930 1.00 1.15 H new ATOM 0 HA VAL A 86 -10.441 -7.105 -20.291 1.00 1.16 H new ATOM 0 HB VAL A 86 -10.319 -4.357 -19.153 1.00 1.11 H new ATOM 0 HG11 VAL A 86 -11.836 -3.514 -20.896 1.00 1.20 H new ATOM 0 HG12 VAL A 86 -10.208 -3.927 -21.482 1.00 1.20 H new ATOM 0 HG13 VAL A 86 -11.575 -5.020 -21.807 1.00 1.20 H new ATOM 0 HG21 VAL A 86 -12.796 -4.572 -18.988 1.00 1.21 H new ATOM 0 HG22 VAL A 86 -12.655 -6.241 -19.590 1.00 1.21 H new ATOM 0 HG23 VAL A 86 -11.909 -5.788 -18.039 1.00 1.21 H new ATOM 1237 N GLY A 87 -8.726 -6.421 -22.028 1.00 1.56 N ATOM 1238 CA GLY A 87 -7.706 -6.198 -23.040 1.00 1.92 C ATOM 1239 C GLY A 87 -6.309 -6.223 -22.421 1.00 2.62 C ATOM 1240 O GLY A 87 -5.896 -7.225 -21.845 1.00 3.98 O ATOM 0 H GLY A 87 -9.477 -7.033 -22.348 1.00 1.56 H new ATOM 0 HA2 GLY A 87 -7.780 -6.964 -23.812 1.00 1.92 H new ATOM 0 HA3 GLY A 87 -7.875 -5.238 -23.527 1.00 1.92 H new ATOM 1244 N GLY A 88 -5.615 -5.090 -22.489 1.00 2.69 N ATOM 1245 CA GLY A 88 -4.388 -4.854 -21.756 1.00 3.52 C ATOM 1246 C GLY A 88 -4.458 -3.438 -21.209 1.00 2.86 C ATOM 1247 O GLY A 88 -3.843 -2.534 -21.771 1.00 3.51 O ATOM 0 H GLY A 88 -5.900 -4.300 -23.067 1.00 2.69 H new ATOM 0 HA2 GLY A 88 -4.279 -5.575 -20.946 1.00 3.52 H new ATOM 0 HA3 GLY A 88 -3.522 -4.973 -22.407 1.00 3.52 H new ATOM 1251 N LYS A 89 -5.265 -3.216 -20.169 1.00 2.50 N ATOM 1252 CA LYS A 89 -5.195 -1.966 -19.421 1.00 2.67 C ATOM 1253 C LYS A 89 -4.121 -2.114 -18.349 1.00 2.29 C ATOM 1254 O LYS A 89 -3.595 -3.208 -18.120 1.00 2.55 O ATOM 1255 CB LYS A 89 -6.537 -1.547 -18.828 1.00 3.89 C ATOM 1256 CG LYS A 89 -7.432 -0.902 -19.892 1.00 4.69 C ATOM 1257 CD LYS A 89 -7.932 -1.929 -20.907 1.00 5.41 C ATOM 1258 CE LYS A 89 -8.952 -1.342 -21.883 1.00 6.57 C ATOM 1259 NZ LYS A 89 -8.360 -0.292 -22.734 1.00 6.58 N ATOM 0 H LYS A 89 -5.964 -3.877 -19.832 1.00 2.50 H new ATOM 0 HA LYS A 89 -4.931 -1.161 -20.107 1.00 2.67 H new ATOM 0 HB2 LYS A 89 -7.039 -2.417 -18.405 1.00 3.89 H new ATOM 0 HB3 LYS A 89 -6.374 -0.844 -18.011 1.00 3.89 H new ATOM 0 HG2 LYS A 89 -8.284 -0.423 -19.409 1.00 4.69 H new ATOM 0 HG3 LYS A 89 -6.877 -0.120 -20.409 1.00 4.69 H new ATOM 0 HD2 LYS A 89 -7.084 -2.324 -21.467 1.00 5.41 H new ATOM 0 HD3 LYS A 89 -8.383 -2.768 -20.377 1.00 5.41 H new ATOM 0 HE2 LYS A 89 -9.351 -2.137 -22.513 1.00 6.57 H new ATOM 0 HE3 LYS A 89 -9.791 -0.926 -21.325 1.00 6.57 H new ATOM 0 HZ1 LYS A 89 -9.075 0.056 -23.404 1.00 6.58 H new ATOM 0 HZ2 LYS A 89 -8.033 0.495 -22.138 1.00 6.58 H new ATOM 0 HZ3 LYS A 89 -7.554 -0.686 -23.261 1.00 6.58 H new ATOM 1273 N LYS A 90 -3.801 -1.022 -17.668 1.00 2.53 N ATOM 1274 CA LYS A 90 -2.681 -0.957 -16.752 1.00 2.33 C ATOM 1275 C LYS A 90 -3.112 -1.460 -15.372 1.00 2.05 C ATOM 1276 O LYS A 90 -2.935 -0.787 -14.360 1.00 2.65 O ATOM 1277 CB LYS A 90 -2.141 0.479 -16.745 1.00 3.06 C ATOM 1278 CG LYS A 90 -0.677 0.503 -16.296 1.00 3.78 C ATOM 1279 CD LYS A 90 -0.096 1.917 -16.340 1.00 4.59 C ATOM 1280 CE LYS A 90 -0.677 2.818 -15.244 1.00 5.93 C ATOM 1281 NZ LYS A 90 -0.111 4.176 -15.303 1.00 6.76 N ATOM 0 H LYS A 90 -4.321 -0.148 -17.740 1.00 2.53 H new ATOM 0 HA LYS A 90 -1.867 -1.609 -17.069 1.00 2.33 H new ATOM 0 HB2 LYS A 90 -2.228 0.911 -17.742 1.00 3.06 H new ATOM 0 HB3 LYS A 90 -2.742 1.096 -16.077 1.00 3.06 H new ATOM 0 HG2 LYS A 90 -0.601 0.109 -15.282 1.00 3.78 H new ATOM 0 HG3 LYS A 90 -0.089 -0.153 -16.938 1.00 3.78 H new ATOM 0 HD2 LYS A 90 0.987 1.866 -16.229 1.00 4.59 H new ATOM 0 HD3 LYS A 90 -0.296 2.360 -17.316 1.00 4.59 H new ATOM 0 HE2 LYS A 90 -1.761 2.870 -15.351 1.00 5.93 H new ATOM 0 HE3 LYS A 90 -0.474 2.380 -14.267 1.00 5.93 H new ATOM 0 HZ1 LYS A 90 -0.526 4.758 -14.548 1.00 6.76 H new ATOM 0 HZ2 LYS A 90 0.920 4.128 -15.176 1.00 6.76 H new ATOM 0 HZ3 LYS A 90 -0.327 4.602 -16.227 1.00 6.76 H new ATOM 1295 N CYS A 91 -3.607 -2.692 -15.300 1.00 1.61 N ATOM 1296 CA CYS A 91 -4.261 -3.195 -14.093 1.00 1.54 C ATOM 1297 C CYS A 91 -3.262 -3.924 -13.194 1.00 1.53 C ATOM 1298 O CYS A 91 -3.632 -4.395 -12.119 1.00 2.50 O ATOM 1299 CB CYS A 91 -5.363 -4.187 -14.465 1.00 1.66 C ATOM 1300 SG CYS A 91 -4.779 -5.881 -14.717 1.00 2.56 S ATOM 0 H CYS A 91 -3.568 -3.364 -16.066 1.00 1.61 H new ATOM 0 HA CYS A 91 -4.678 -2.337 -13.565 1.00 1.54 H new ATOM 0 HB2 CYS A 91 -6.117 -4.188 -13.678 1.00 1.66 H new ATOM 0 HB3 CYS A 91 -5.853 -3.844 -15.376 1.00 1.66 H new ATOM 1305 N ARG A 92 -1.993 -3.975 -13.615 1.00 0.98 N ATOM 1306 CA ARG A 92 -0.845 -4.559 -12.936 1.00 0.90 C ATOM 1307 C ARG A 92 -0.459 -3.744 -11.687 1.00 0.96 C ATOM 1308 O ARG A 92 0.684 -3.336 -11.524 1.00 1.64 O ATOM 1309 CB ARG A 92 0.259 -4.660 -14.008 1.00 1.11 C ATOM 1310 CG ARG A 92 1.631 -5.204 -13.602 1.00 1.30 C ATOM 1311 CD ARG A 92 1.531 -6.394 -12.654 1.00 1.23 C ATOM 1312 NE ARG A 92 2.761 -7.195 -12.644 1.00 1.79 N ATOM 1313 CZ ARG A 92 3.792 -7.041 -11.803 1.00 3.17 C ATOM 1314 NH1 ARG A 92 3.984 -5.882 -11.173 1.00 4.64 N ATOM 1315 NH2 ARG A 92 4.575 -8.091 -11.568 1.00 3.67 N ATOM 0 H ARG A 92 -1.728 -3.574 -14.514 1.00 0.98 H new ATOM 0 HA ARG A 92 -1.049 -5.551 -12.534 1.00 0.90 H new ATOM 0 HB2 ARG A 92 -0.120 -5.288 -14.814 1.00 1.11 H new ATOM 0 HB3 ARG A 92 0.408 -3.663 -14.423 1.00 1.11 H new ATOM 0 HG2 ARG A 92 2.179 -5.501 -14.496 1.00 1.30 H new ATOM 0 HG3 ARG A 92 2.206 -4.411 -13.124 1.00 1.30 H new ATOM 0 HD2 ARG A 92 1.323 -6.037 -11.645 1.00 1.23 H new ATOM 0 HD3 ARG A 92 0.691 -7.023 -12.949 1.00 1.23 H new ATOM 0 HE ARG A 92 2.838 -7.936 -13.341 1.00 1.79 H new ATOM 0 HH11 ARG A 92 3.343 -5.104 -11.330 1.00 4.64 H new ATOM 0 HH12 ARG A 92 4.772 -5.773 -10.534 1.00 4.64 H new ATOM 0 HH21 ARG A 92 4.382 -8.983 -12.024 1.00 3.67 H new ATOM 0 HH22 ARG A 92 5.368 -8.004 -10.932 1.00 3.67 H new ATOM 1329 N HIS A 93 -1.415 -3.509 -10.795 1.00 0.96 N ATOM 1330 CA HIS A 93 -1.300 -2.992 -9.437 1.00 0.96 C ATOM 1331 C HIS A 93 -2.649 -3.262 -8.776 1.00 0.70 C ATOM 1332 O HIS A 93 -2.680 -3.770 -7.661 1.00 0.60 O ATOM 1333 CB HIS A 93 -0.986 -1.492 -9.347 1.00 1.15 C ATOM 1334 CG HIS A 93 0.444 -1.038 -9.511 1.00 1.39 C ATOM 1335 ND1 HIS A 93 0.810 0.228 -9.926 1.00 1.71 N ATOM 1336 CD2 HIS A 93 1.582 -1.716 -9.162 1.00 1.52 C ATOM 1337 CE1 HIS A 93 2.149 0.315 -9.844 1.00 1.97 C ATOM 1338 NE2 HIS A 93 2.640 -0.858 -9.399 1.00 1.84 N ATOM 0 H HIS A 93 -2.390 -3.695 -11.030 1.00 0.96 H new ATOM 0 HA HIS A 93 -0.460 -3.486 -8.949 1.00 0.96 H new ATOM 0 HB2 HIS A 93 -1.583 -0.984 -10.104 1.00 1.15 H new ATOM 0 HB3 HIS A 93 -1.335 -1.139 -8.377 1.00 1.15 H new ATOM 0 HD1 HIS A 93 0.178 0.965 -10.239 1.00 1.71 H new ATOM 0 HD2 HIS A 93 1.641 -2.723 -8.777 1.00 1.52 H new ATOM 0 HE1 HIS A 93 2.737 1.186 -10.095 1.00 1.97 H new ATOM 1347 N TYR A 94 -3.760 -2.969 -9.463 1.00 0.67 N ATOM 1348 CA TYR A 94 -5.087 -3.386 -9.016 1.00 0.54 C ATOM 1349 C TYR A 94 -5.074 -4.866 -8.638 1.00 0.46 C ATOM 1350 O TYR A 94 -5.529 -5.247 -7.563 1.00 0.39 O ATOM 1351 CB TYR A 94 -6.152 -3.144 -10.092 1.00 0.67 C ATOM 1352 CG TYR A 94 -7.530 -3.567 -9.619 1.00 0.68 C ATOM 1353 CD1 TYR A 94 -8.271 -2.673 -8.833 1.00 2.06 C ATOM 1354 CD2 TYR A 94 -7.936 -4.914 -9.706 1.00 2.32 C ATOM 1355 CE1 TYR A 94 -9.360 -3.127 -8.078 1.00 2.36 C ATOM 1356 CE2 TYR A 94 -9.031 -5.370 -8.951 1.00 2.42 C ATOM 1357 CZ TYR A 94 -9.740 -4.475 -8.132 1.00 1.49 C ATOM 1358 OH TYR A 94 -10.868 -4.862 -7.478 1.00 1.98 O ATOM 0 H TYR A 94 -3.761 -2.441 -10.336 1.00 0.67 H new ATOM 0 HA TYR A 94 -5.342 -2.783 -8.144 1.00 0.54 H new ATOM 0 HB2 TYR A 94 -6.167 -2.087 -10.359 1.00 0.67 H new ATOM 0 HB3 TYR A 94 -5.891 -3.697 -10.994 1.00 0.67 H new ATOM 0 HD1 TYR A 94 -8.000 -1.628 -8.810 1.00 2.06 H new ATOM 0 HD2 TYR A 94 -7.405 -5.597 -10.353 1.00 2.32 H new ATOM 0 HE1 TYR A 94 -9.908 -2.437 -7.453 1.00 2.36 H new ATOM 0 HE2 TYR A 94 -9.327 -6.407 -9.001 1.00 2.42 H new ATOM 0 HH TYR A 94 -11.653 -4.644 -8.023 1.00 1.98 H new ATOM 1368 N THR A 95 -4.531 -5.700 -9.519 1.00 0.52 N ATOM 1369 CA THR A 95 -4.343 -7.112 -9.245 1.00 0.54 C ATOM 1370 C THR A 95 -3.712 -7.313 -7.865 1.00 0.50 C ATOM 1371 O THR A 95 -4.179 -8.128 -7.081 1.00 0.57 O ATOM 1372 CB THR A 95 -3.455 -7.679 -10.355 1.00 0.68 C ATOM 1373 OG1 THR A 95 -2.424 -6.750 -10.653 1.00 0.81 O ATOM 1374 CG2 THR A 95 -4.260 -7.912 -11.633 1.00 0.80 C ATOM 0 H THR A 95 -4.210 -5.411 -10.443 1.00 0.52 H new ATOM 0 HA THR A 95 -5.299 -7.635 -9.231 1.00 0.54 H new ATOM 0 HB THR A 95 -3.042 -8.626 -10.007 1.00 0.68 H new ATOM 0 HG1 THR A 95 -1.685 -7.213 -11.100 1.00 0.81 H new ATOM 0 HG21 THR A 95 -3.606 -8.315 -12.406 1.00 0.80 H new ATOM 0 HG22 THR A 95 -5.064 -8.620 -11.432 1.00 0.80 H new ATOM 0 HG23 THR A 95 -4.685 -6.967 -11.973 1.00 0.80 H new ATOM 1382 N GLN A 96 -2.670 -6.545 -7.548 1.00 0.48 N ATOM 1383 CA GLN A 96 -1.977 -6.614 -6.274 1.00 0.50 C ATOM 1384 C GLN A 96 -2.914 -6.206 -5.135 1.00 0.47 C ATOM 1385 O GLN A 96 -2.908 -6.846 -4.090 1.00 0.59 O ATOM 1386 CB GLN A 96 -0.721 -5.721 -6.316 1.00 0.57 C ATOM 1387 CG GLN A 96 0.576 -6.492 -6.047 1.00 1.30 C ATOM 1388 CD GLN A 96 0.839 -6.719 -4.566 1.00 1.19 C ATOM 1389 OE1 GLN A 96 1.864 -6.294 -4.058 1.00 2.58 O ATOM 1390 NE2 GLN A 96 -0.059 -7.385 -3.853 1.00 0.94 N ATOM 0 H GLN A 96 -2.282 -5.848 -8.184 1.00 0.48 H new ATOM 0 HA GLN A 96 -1.661 -7.641 -6.090 1.00 0.50 H new ATOM 0 HB2 GLN A 96 -0.656 -5.242 -7.293 1.00 0.57 H new ATOM 0 HB3 GLN A 96 -0.823 -4.926 -5.578 1.00 0.57 H new ATOM 0 HG2 GLN A 96 0.530 -7.456 -6.554 1.00 1.30 H new ATOM 0 HG3 GLN A 96 1.414 -5.944 -6.479 1.00 1.30 H new ATOM 0 HE21 GLN A 96 -0.909 -7.731 -4.298 1.00 0.94 H new ATOM 0 HE22 GLN A 96 0.100 -7.551 -2.859 1.00 0.94 H new ATOM 1399 N VAL A 97 -3.701 -5.147 -5.335 1.00 0.38 N ATOM 1400 CA VAL A 97 -4.656 -4.658 -4.349 1.00 0.36 C ATOM 1401 C VAL A 97 -5.635 -5.772 -3.980 1.00 0.41 C ATOM 1402 O VAL A 97 -5.973 -5.960 -2.810 1.00 0.51 O ATOM 1403 CB VAL A 97 -5.389 -3.412 -4.891 1.00 0.36 C ATOM 1404 CG1 VAL A 97 -6.524 -2.939 -3.981 1.00 0.43 C ATOM 1405 CG2 VAL A 97 -4.404 -2.255 -5.027 1.00 0.42 C ATOM 0 H VAL A 97 -3.690 -4.602 -6.197 1.00 0.38 H new ATOM 0 HA VAL A 97 -4.126 -4.362 -3.444 1.00 0.36 H new ATOM 0 HB VAL A 97 -5.813 -3.704 -5.852 1.00 0.36 H new ATOM 0 HG11 VAL A 97 -6.999 -2.060 -4.418 1.00 0.43 H new ATOM 0 HG12 VAL A 97 -7.261 -3.735 -3.875 1.00 0.43 H new ATOM 0 HG13 VAL A 97 -6.122 -2.684 -3.000 1.00 0.43 H new ATOM 0 HG21 VAL A 97 -4.924 -1.377 -5.410 1.00 0.42 H new ATOM 0 HG22 VAL A 97 -3.975 -2.026 -4.052 1.00 0.42 H new ATOM 0 HG23 VAL A 97 -3.608 -2.534 -5.717 1.00 0.42 H new ATOM 1415 N VAL A 98 -6.107 -6.483 -4.999 1.00 0.40 N ATOM 1416 CA VAL A 98 -7.134 -7.493 -4.859 1.00 0.42 C ATOM 1417 C VAL A 98 -6.582 -8.851 -4.429 1.00 0.53 C ATOM 1418 O VAL A 98 -7.304 -9.605 -3.791 1.00 0.79 O ATOM 1419 CB VAL A 98 -7.967 -7.537 -6.157 1.00 0.49 C ATOM 1420 CG1 VAL A 98 -7.828 -8.829 -6.964 1.00 0.64 C ATOM 1421 CG2 VAL A 98 -9.432 -7.306 -5.819 1.00 0.44 C ATOM 0 H VAL A 98 -5.778 -6.367 -5.957 1.00 0.40 H new ATOM 0 HA VAL A 98 -7.797 -7.219 -4.039 1.00 0.42 H new ATOM 0 HB VAL A 98 -7.571 -6.746 -6.795 1.00 0.49 H new ATOM 0 HG11 VAL A 98 -8.449 -8.768 -7.858 1.00 0.64 H new ATOM 0 HG12 VAL A 98 -6.786 -8.966 -7.254 1.00 0.64 H new ATOM 0 HG13 VAL A 98 -8.150 -9.674 -6.356 1.00 0.64 H new ATOM 0 HG21 VAL A 98 -10.025 -7.336 -6.733 1.00 0.44 H new ATOM 0 HG22 VAL A 98 -9.775 -8.084 -5.138 1.00 0.44 H new ATOM 0 HG23 VAL A 98 -9.547 -6.332 -5.344 1.00 0.44 H new ATOM 1431 N TRP A 99 -5.343 -9.152 -4.810 1.00 0.45 N ATOM 1432 CA TRP A 99 -4.755 -10.480 -4.897 1.00 0.46 C ATOM 1433 C TRP A 99 -5.258 -11.446 -3.821 1.00 0.48 C ATOM 1434 O TRP A 99 -4.764 -11.433 -2.697 1.00 0.57 O ATOM 1435 CB TRP A 99 -3.226 -10.362 -4.863 1.00 0.50 C ATOM 1436 CG TRP A 99 -2.472 -11.510 -5.456 1.00 0.53 C ATOM 1437 CD1 TRP A 99 -1.885 -12.510 -4.765 1.00 0.66 C ATOM 1438 CD2 TRP A 99 -2.118 -11.732 -6.852 1.00 0.56 C ATOM 1439 NE1 TRP A 99 -1.174 -13.315 -5.629 1.00 0.71 N ATOM 1440 CE2 TRP A 99 -1.256 -12.864 -6.929 1.00 0.68 C ATOM 1441 CE3 TRP A 99 -2.374 -11.038 -8.052 1.00 0.60 C ATOM 1442 CZ2 TRP A 99 -0.650 -13.255 -8.131 1.00 0.85 C ATOM 1443 CZ3 TRP A 99 -1.848 -11.482 -9.278 1.00 0.78 C ATOM 1444 CH2 TRP A 99 -0.984 -12.588 -9.316 1.00 0.91 C ATOM 0 H TRP A 99 -4.682 -8.425 -5.083 1.00 0.45 H new ATOM 0 HA TRP A 99 -5.074 -10.913 -5.845 1.00 0.46 H new ATOM 0 HB2 TRP A 99 -2.939 -9.452 -5.390 1.00 0.50 H new ATOM 0 HB3 TRP A 99 -2.912 -10.243 -3.826 1.00 0.50 H new ATOM 0 HD1 TRP A 99 -1.961 -12.657 -3.698 1.00 0.66 H new ATOM 0 HE1 TRP A 99 -0.651 -14.143 -5.342 1.00 0.71 H new ATOM 0 HE3 TRP A 99 -2.986 -10.148 -8.029 1.00 0.60 H new ATOM 0 HZ2 TRP A 99 0.067 -14.062 -8.143 1.00 0.85 H new ATOM 0 HZ3 TRP A 99 -2.109 -10.971 -10.193 1.00 0.78 H new ATOM 0 HH2 TRP A 99 -0.577 -12.924 -10.258 1.00 0.91 H new ATOM 1455 N ARG A 100 -6.200 -12.315 -4.194 1.00 0.49 N ATOM 1456 CA ARG A 100 -6.759 -13.377 -3.371 1.00 0.61 C ATOM 1457 C ARG A 100 -5.677 -14.034 -2.508 1.00 0.58 C ATOM 1458 O ARG A 100 -5.876 -14.202 -1.303 1.00 0.65 O ATOM 1459 CB ARG A 100 -7.524 -14.348 -4.296 1.00 0.72 C ATOM 1460 CG ARG A 100 -8.017 -15.692 -3.732 1.00 1.25 C ATOM 1461 CD ARG A 100 -9.000 -15.613 -2.555 1.00 1.49 C ATOM 1462 NE ARG A 100 -8.274 -15.263 -1.334 1.00 3.28 N ATOM 1463 CZ ARG A 100 -8.738 -14.806 -0.169 1.00 4.75 C ATOM 1464 NH1 ARG A 100 -10.002 -15.013 0.193 1.00 4.96 N ATOM 1465 NH2 ARG A 100 -7.894 -14.123 0.596 1.00 6.69 N ATOM 0 H ARG A 100 -6.611 -12.291 -5.127 1.00 0.49 H new ATOM 0 HA ARG A 100 -7.474 -12.983 -2.648 1.00 0.61 H new ATOM 0 HB2 ARG A 100 -8.393 -13.816 -4.683 1.00 0.72 H new ATOM 0 HB3 ARG A 100 -6.879 -14.566 -5.147 1.00 0.72 H new ATOM 0 HG2 ARG A 100 -8.493 -16.248 -4.539 1.00 1.25 H new ATOM 0 HG3 ARG A 100 -7.149 -16.270 -3.415 1.00 1.25 H new ATOM 0 HD2 ARG A 100 -9.769 -14.868 -2.759 1.00 1.49 H new ATOM 0 HD3 ARG A 100 -9.508 -16.569 -2.427 1.00 1.49 H new ATOM 0 HE ARG A 100 -7.263 -15.387 -1.380 1.00 3.28 H new ATOM 0 HH11 ARG A 100 -10.631 -15.527 -0.423 1.00 4.96 H new ATOM 0 HH12 ARG A 100 -10.341 -14.657 1.087 1.00 4.96 H new ATOM 0 HH21 ARG A 100 -6.935 -13.967 0.284 1.00 6.69 H new ATOM 0 HH22 ARG A 100 -8.205 -13.754 1.495 1.00 6.69 H new ATOM 1479 N ASN A 101 -4.546 -14.427 -3.092 1.00 0.55 N ATOM 1480 CA ASN A 101 -3.542 -15.158 -2.323 1.00 0.55 C ATOM 1481 C ASN A 101 -3.064 -14.372 -1.097 1.00 0.61 C ATOM 1482 O ASN A 101 -2.794 -14.974 -0.058 1.00 1.35 O ATOM 1483 CB ASN A 101 -2.350 -15.578 -3.193 1.00 0.83 C ATOM 1484 CG ASN A 101 -1.749 -16.909 -2.746 1.00 1.45 C ATOM 1485 OD1 ASN A 101 -1.422 -17.752 -3.576 1.00 2.16 O ATOM 1486 ND2 ASN A 101 -1.626 -17.162 -1.452 1.00 2.23 N ATOM 0 H ASN A 101 -4.306 -14.257 -4.069 1.00 0.55 H new ATOM 0 HA ASN A 101 -4.033 -16.062 -1.964 1.00 0.55 H new ATOM 0 HB2 ASN A 101 -2.671 -15.657 -4.232 1.00 0.83 H new ATOM 0 HB3 ASN A 101 -1.584 -14.804 -3.154 1.00 0.83 H new ATOM 0 HD21 ASN A 101 -1.258 -18.061 -1.141 1.00 2.23 H new ATOM 0 HD22 ASN A 101 -1.899 -16.458 -0.766 1.00 2.23 H new ATOM 1493 N SER A 102 -2.976 -13.044 -1.194 1.00 0.52 N ATOM 1494 CA SER A 102 -2.402 -12.203 -0.157 1.00 0.53 C ATOM 1495 C SER A 102 -3.471 -11.917 0.898 1.00 0.60 C ATOM 1496 O SER A 102 -4.594 -11.552 0.553 1.00 0.94 O ATOM 1497 CB SER A 102 -1.927 -10.884 -0.777 1.00 0.66 C ATOM 1498 OG SER A 102 -1.064 -11.111 -1.879 1.00 1.61 O ATOM 0 H SER A 102 -3.307 -12.522 -2.006 1.00 0.52 H new ATOM 0 HA SER A 102 -1.555 -12.709 0.305 1.00 0.53 H new ATOM 0 HB2 SER A 102 -2.789 -10.302 -1.102 1.00 0.66 H new ATOM 0 HB3 SER A 102 -1.409 -10.292 -0.023 1.00 0.66 H new ATOM 0 HG SER A 102 -0.186 -11.401 -1.553 1.00 1.61 H new ATOM 1504 N VAL A 103 -3.137 -12.071 2.181 1.00 0.55 N ATOM 1505 CA VAL A 103 -4.066 -11.795 3.278 1.00 0.60 C ATOM 1506 C VAL A 103 -3.402 -10.959 4.371 1.00 0.62 C ATOM 1507 O VAL A 103 -3.830 -10.975 5.524 1.00 0.86 O ATOM 1508 CB VAL A 103 -4.687 -13.093 3.821 1.00 0.79 C ATOM 1509 CG1 VAL A 103 -5.501 -13.775 2.719 1.00 0.85 C ATOM 1510 CG2 VAL A 103 -3.647 -14.059 4.397 1.00 0.93 C ATOM 0 H VAL A 103 -2.218 -12.390 2.488 1.00 0.55 H new ATOM 0 HA VAL A 103 -4.887 -11.196 2.884 1.00 0.60 H new ATOM 0 HB VAL A 103 -5.341 -12.817 4.648 1.00 0.79 H new ATOM 0 HG11 VAL A 103 -5.940 -14.694 3.107 1.00 0.85 H new ATOM 0 HG12 VAL A 103 -6.295 -13.106 2.386 1.00 0.85 H new ATOM 0 HG13 VAL A 103 -4.849 -14.011 1.878 1.00 0.85 H new ATOM 0 HG21 VAL A 103 -4.147 -14.955 4.764 1.00 0.93 H new ATOM 0 HG22 VAL A 103 -2.935 -14.333 3.619 1.00 0.93 H new ATOM 0 HG23 VAL A 103 -3.118 -13.576 5.219 1.00 0.93 H new ATOM 1520 N ARG A 104 -2.354 -10.225 4.015 1.00 0.88 N ATOM 1521 CA ARG A 104 -1.585 -9.385 4.910 1.00 0.87 C ATOM 1522 C ARG A 104 -1.127 -8.203 4.072 1.00 0.65 C ATOM 1523 O ARG A 104 -0.866 -8.378 2.879 1.00 0.65 O ATOM 1524 CB ARG A 104 -0.333 -10.142 5.348 1.00 0.99 C ATOM 1525 CG ARG A 104 -0.580 -11.476 6.054 1.00 1.41 C ATOM 1526 CD ARG A 104 -1.201 -11.291 7.438 1.00 3.04 C ATOM 1527 NE ARG A 104 -0.208 -10.782 8.395 1.00 3.81 N ATOM 1528 CZ ARG A 104 -0.204 -10.984 9.720 1.00 4.78 C ATOM 1529 NH1 ARG A 104 -1.170 -11.694 10.306 1.00 5.24 N ATOM 1530 NH2 ARG A 104 0.805 -10.484 10.427 1.00 5.80 N ATOM 0 H ARG A 104 -2.007 -10.202 3.056 1.00 0.88 H new ATOM 0 HA ARG A 104 -2.168 -9.091 5.782 1.00 0.87 H new ATOM 0 HB2 ARG A 104 0.285 -10.326 4.469 1.00 0.99 H new ATOM 0 HB3 ARG A 104 0.243 -9.500 6.014 1.00 0.99 H new ATOM 0 HG2 ARG A 104 -1.238 -12.093 5.442 1.00 1.41 H new ATOM 0 HG3 ARG A 104 0.363 -12.014 6.150 1.00 1.41 H new ATOM 0 HD2 ARG A 104 -2.040 -10.598 7.375 1.00 3.04 H new ATOM 0 HD3 ARG A 104 -1.599 -12.242 7.792 1.00 3.04 H new ATOM 0 HE ARG A 104 0.553 -10.220 8.013 1.00 3.81 H new ATOM 0 HH11 ARG A 104 -1.924 -12.091 9.745 1.00 5.24 H new ATOM 0 HH12 ARG A 104 -1.155 -11.840 11.315 1.00 5.24 H new ATOM 0 HH21 ARG A 104 1.547 -9.964 9.959 1.00 5.80 H new ATOM 0 HH22 ARG A 104 0.837 -10.621 11.437 1.00 5.80 H new ATOM 1544 N LEU A 105 -1.029 -7.023 4.672 1.00 0.63 N ATOM 1545 CA LEU A 105 -0.537 -5.834 4.008 1.00 0.51 C ATOM 1546 C LEU A 105 0.100 -4.950 5.066 1.00 0.58 C ATOM 1547 O LEU A 105 -0.415 -4.847 6.180 1.00 0.81 O ATOM 1548 CB LEU A 105 -1.690 -5.154 3.256 1.00 0.61 C ATOM 1549 CG LEU A 105 -1.405 -3.721 2.787 1.00 0.79 C ATOM 1550 CD1 LEU A 105 -2.133 -3.456 1.473 1.00 1.57 C ATOM 1551 CD2 LEU A 105 -1.931 -2.702 3.799 1.00 2.23 C ATOM 0 H LEU A 105 -1.293 -6.869 5.645 1.00 0.63 H new ATOM 0 HA LEU A 105 0.220 -6.064 3.258 1.00 0.51 H new ATOM 0 HB2 LEU A 105 -1.944 -5.761 2.387 1.00 0.61 H new ATOM 0 HB3 LEU A 105 -2.567 -5.140 3.903 1.00 0.61 H new ATOM 0 HG LEU A 105 -0.326 -3.620 2.673 1.00 0.79 H new ATOM 0 HD11 LEU A 105 -1.929 -2.438 1.143 1.00 1.57 H new ATOM 0 HD12 LEU A 105 -1.786 -4.159 0.716 1.00 1.57 H new ATOM 0 HD13 LEU A 105 -3.206 -3.581 1.620 1.00 1.57 H new ATOM 0 HD21 LEU A 105 -1.717 -1.694 3.445 1.00 2.23 H new ATOM 0 HD22 LEU A 105 -3.008 -2.826 3.914 1.00 2.23 H new ATOM 0 HD23 LEU A 105 -1.443 -2.859 4.761 1.00 2.23 H new ATOM 1563 N GLY A 106 1.212 -4.316 4.714 1.00 0.57 N ATOM 1564 CA GLY A 106 1.870 -3.348 5.558 1.00 0.60 C ATOM 1565 C GLY A 106 2.491 -2.294 4.657 1.00 0.56 C ATOM 1566 O GLY A 106 3.284 -2.621 3.777 1.00 0.64 O ATOM 0 H GLY A 106 1.682 -4.467 3.821 1.00 0.57 H new ATOM 0 HA2 GLY A 106 1.157 -2.892 6.244 1.00 0.60 H new ATOM 0 HA3 GLY A 106 2.635 -3.829 6.167 1.00 0.60 H new ATOM 1570 N CYS A 107 2.095 -1.036 4.854 1.00 0.54 N ATOM 1571 CA CYS A 107 2.687 0.123 4.202 1.00 0.61 C ATOM 1572 C CYS A 107 3.665 0.830 5.111 1.00 0.67 C ATOM 1573 O CYS A 107 3.597 0.704 6.333 1.00 0.75 O ATOM 1574 CB CYS A 107 1.638 1.124 3.705 1.00 0.84 C ATOM 1575 SG CYS A 107 1.138 1.028 1.977 1.00 1.81 S ATOM 0 H CYS A 107 1.334 -0.793 5.488 1.00 0.54 H new ATOM 0 HA CYS A 107 3.218 -0.266 3.333 1.00 0.61 H new ATOM 0 HB2 CYS A 107 0.745 1.006 4.319 1.00 0.84 H new ATOM 0 HB3 CYS A 107 2.020 2.128 3.888 1.00 0.84 H new ATOM 1580 N GLY A 108 4.533 1.620 4.488 1.00 0.79 N ATOM 1581 CA GLY A 108 5.399 2.585 5.129 1.00 0.92 C ATOM 1582 C GLY A 108 5.287 3.885 4.343 1.00 0.90 C ATOM 1583 O GLY A 108 4.529 3.951 3.372 1.00 1.31 O ATOM 0 H GLY A 108 4.652 1.599 3.475 1.00 0.79 H new ATOM 0 HA2 GLY A 108 5.104 2.737 6.167 1.00 0.92 H new ATOM 0 HA3 GLY A 108 6.429 2.230 5.140 1.00 0.92 H new ATOM 1587 N ARG A 109 5.993 4.930 4.762 1.00 1.01 N ATOM 1588 CA ARG A 109 5.894 6.244 4.149 1.00 0.89 C ATOM 1589 C ARG A 109 7.249 6.929 4.307 1.00 0.81 C ATOM 1590 O ARG A 109 7.655 7.211 5.436 1.00 1.12 O ATOM 1591 CB ARG A 109 4.775 7.032 4.851 1.00 1.06 C ATOM 1592 CG ARG A 109 3.988 7.919 3.883 1.00 0.80 C ATOM 1593 CD ARG A 109 3.060 8.805 4.711 1.00 1.33 C ATOM 1594 NE ARG A 109 2.279 9.766 3.919 1.00 1.22 N ATOM 1595 CZ ARG A 109 1.617 10.785 4.493 1.00 2.13 C ATOM 1596 NH1 ARG A 109 1.564 10.870 5.822 1.00 2.94 N ATOM 1597 NH2 ARG A 109 1.021 11.700 3.735 1.00 2.90 N ATOM 0 H ARG A 109 6.652 4.886 5.540 1.00 1.01 H new ATOM 0 HA ARG A 109 5.648 6.183 3.089 1.00 0.89 H new ATOM 0 HB2 ARG A 109 4.093 6.334 5.336 1.00 1.06 H new ATOM 0 HB3 ARG A 109 5.209 7.652 5.636 1.00 1.06 H new ATOM 0 HG2 ARG A 109 4.666 8.529 3.286 1.00 0.80 H new ATOM 0 HG3 ARG A 109 3.413 7.308 3.187 1.00 0.80 H new ATOM 0 HD2 ARG A 109 2.373 8.170 5.271 1.00 1.33 H new ATOM 0 HD3 ARG A 109 3.655 9.352 5.442 1.00 1.33 H new ATOM 0 HE ARG A 109 2.238 9.656 2.906 1.00 1.22 H new ATOM 0 HH11 ARG A 109 2.024 10.164 6.397 1.00 2.94 H new ATOM 0 HH12 ARG A 109 1.063 11.641 6.264 1.00 2.94 H new ATOM 0 HH21 ARG A 109 1.066 11.628 2.719 1.00 2.90 H new ATOM 0 HH22 ARG A 109 0.518 12.474 4.170 1.00 2.90 H new ATOM 1611 N ALA A 110 7.972 7.156 3.212 1.00 0.62 N ATOM 1612 CA ALA A 110 9.213 7.922 3.224 1.00 0.58 C ATOM 1613 C ALA A 110 8.950 9.218 2.471 1.00 0.53 C ATOM 1614 O ALA A 110 8.345 9.189 1.401 1.00 0.62 O ATOM 1615 CB ALA A 110 10.351 7.126 2.576 1.00 0.66 C ATOM 0 H ALA A 110 7.711 6.811 2.288 1.00 0.62 H new ATOM 0 HA ALA A 110 9.524 8.135 4.247 1.00 0.58 H new ATOM 0 HB1 ALA A 110 11.266 7.717 2.596 1.00 0.66 H new ATOM 0 HB2 ALA A 110 10.506 6.198 3.127 1.00 0.66 H new ATOM 0 HB3 ALA A 110 10.091 6.895 1.543 1.00 0.66 H new ATOM 1621 N ARG A 111 9.375 10.350 3.018 1.00 0.64 N ATOM 1622 CA ARG A 111 9.365 11.611 2.306 1.00 0.80 C ATOM 1623 C ARG A 111 10.737 11.728 1.658 1.00 0.94 C ATOM 1624 O ARG A 111 11.743 11.873 2.352 1.00 1.24 O ATOM 1625 CB ARG A 111 9.067 12.765 3.266 1.00 1.04 C ATOM 1626 CG ARG A 111 8.434 13.955 2.531 1.00 1.41 C ATOM 1627 CD ARG A 111 8.141 15.051 3.556 1.00 2.12 C ATOM 1628 NE ARG A 111 7.323 16.141 2.999 1.00 3.00 N ATOM 1629 CZ ARG A 111 6.181 16.578 3.550 1.00 4.40 C ATOM 1630 NH1 ARG A 111 5.888 16.272 4.813 1.00 5.12 N ATOM 1631 NH2 ARG A 111 5.326 17.286 2.821 1.00 5.65 N ATOM 0 H ARG A 111 9.736 10.414 3.970 1.00 0.64 H new ATOM 0 HA ARG A 111 8.584 11.655 1.547 1.00 0.80 H new ATOM 0 HB2 ARG A 111 8.395 12.422 4.053 1.00 1.04 H new ATOM 0 HB3 ARG A 111 9.989 13.084 3.752 1.00 1.04 H new ATOM 0 HG2 ARG A 111 9.108 14.327 1.759 1.00 1.41 H new ATOM 0 HG3 ARG A 111 7.516 13.648 2.031 1.00 1.41 H new ATOM 0 HD2 ARG A 111 7.625 14.615 4.412 1.00 2.12 H new ATOM 0 HD3 ARG A 111 9.082 15.459 3.925 1.00 2.12 H new ATOM 0 HE ARG A 111 7.644 16.591 2.142 1.00 3.00 H new ATOM 0 HH11 ARG A 111 6.533 15.704 5.363 1.00 5.12 H new ATOM 0 HH12 ARG A 111 5.019 16.605 5.230 1.00 5.12 H new ATOM 0 HH21 ARG A 111 5.539 17.496 1.846 1.00 5.65 H new ATOM 0 HH22 ARG A 111 4.456 17.620 3.236 1.00 5.65 H new ATOM 1645 N CYS A 112 10.793 11.606 0.338 1.00 0.95 N ATOM 1646 CA CYS A 112 12.034 11.785 -0.392 1.00 1.11 C ATOM 1647 C CYS A 112 12.474 13.241 -0.365 1.00 1.51 C ATOM 1648 O CYS A 112 11.690 14.139 -0.066 1.00 1.79 O ATOM 1649 CB CYS A 112 11.936 11.247 -1.822 1.00 1.27 C ATOM 1650 SG CYS A 112 11.208 9.614 -2.037 1.00 1.53 S ATOM 0 H CYS A 112 9.988 11.383 -0.248 1.00 0.95 H new ATOM 0 HA CYS A 112 12.802 11.197 0.111 1.00 1.11 H new ATOM 0 HB2 CYS A 112 11.355 11.956 -2.411 1.00 1.27 H new ATOM 0 HB3 CYS A 112 12.940 11.228 -2.246 1.00 1.27 H new ATOM 1655 N ASN A 113 13.742 13.469 -0.690 1.00 1.74 N ATOM 1656 CA ASN A 113 14.416 14.766 -0.697 1.00 2.37 C ATOM 1657 C ASN A 113 13.639 15.809 -1.505 1.00 3.00 C ATOM 1658 O ASN A 113 13.410 16.916 -1.030 1.00 3.70 O ATOM 1659 CB ASN A 113 15.858 14.610 -1.210 1.00 2.33 C ATOM 1660 CG ASN A 113 15.936 13.677 -2.412 1.00 1.89 C ATOM 1661 OD1 ASN A 113 15.677 14.079 -3.544 1.00 2.98 O ATOM 1662 ND2 ASN A 113 16.217 12.401 -2.175 1.00 2.71 N ATOM 0 H ASN A 113 14.364 12.711 -0.972 1.00 1.74 H new ATOM 0 HA ASN A 113 14.453 15.134 0.328 1.00 2.37 H new ATOM 0 HB2 ASN A 113 16.254 15.588 -1.483 1.00 2.33 H new ATOM 0 HB3 ASN A 113 16.488 14.224 -0.409 1.00 2.33 H new ATOM 0 HD21 ASN A 113 16.221 11.729 -2.942 1.00 2.71 H new ATOM 0 HD22 ASN A 113 16.429 12.093 -1.226 1.00 2.71 H new ATOM 1669 N ASN A 114 13.182 15.445 -2.703 1.00 2.99 N ATOM 1670 CA ASN A 114 12.329 16.276 -3.572 1.00 3.65 C ATOM 1671 C ASN A 114 10.946 16.575 -2.984 1.00 4.43 C ATOM 1672 O ASN A 114 10.181 17.322 -3.593 1.00 4.96 O ATOM 1673 CB ASN A 114 12.117 15.602 -4.936 1.00 3.57 C ATOM 1674 CG ASN A 114 11.884 14.115 -4.784 1.00 3.60 C ATOM 1675 OD1 ASN A 114 11.130 13.696 -3.914 1.00 4.27 O ATOM 1676 ND2 ASN A 114 12.597 13.299 -5.550 1.00 3.49 N ATOM 0 H ASN A 114 13.398 14.537 -3.114 1.00 2.99 H new ATOM 0 HA ASN A 114 12.868 17.218 -3.672 1.00 3.65 H new ATOM 0 HB2 ASN A 114 11.264 16.056 -5.440 1.00 3.57 H new ATOM 0 HB3 ASN A 114 12.989 15.773 -5.568 1.00 3.57 H new ATOM 0 HD21 ASN A 114 12.527 12.289 -5.423 1.00 3.49 H new ATOM 0 HD22 ASN A 114 13.215 13.681 -6.265 1.00 3.49 H new ATOM 1683 N GLY A 115 10.581 15.988 -1.848 1.00 4.60 N ATOM 1684 CA GLY A 115 9.279 16.198 -1.247 1.00 5.33 C ATOM 1685 C GLY A 115 8.206 15.314 -1.868 1.00 3.76 C ATOM 1686 O GLY A 115 7.025 15.507 -1.579 1.00 4.27 O ATOM 0 H GLY A 115 11.183 15.354 -1.323 1.00 4.60 H new ATOM 0 HA2 GLY A 115 9.338 15.996 -0.177 1.00 5.33 H new ATOM 0 HA3 GLY A 115 8.994 17.244 -1.359 1.00 5.33 H new ATOM 1690 N TRP A 116 8.573 14.326 -2.686 1.00 2.00 N ATOM 1691 CA TRP A 116 7.642 13.261 -2.994 1.00 0.99 C ATOM 1692 C TRP A 116 7.385 12.490 -1.700 1.00 0.87 C ATOM 1693 O TRP A 116 8.329 12.037 -1.052 1.00 0.98 O ATOM 1694 CB TRP A 116 8.208 12.334 -4.076 1.00 1.65 C ATOM 1695 CG TRP A 116 8.604 12.930 -5.401 1.00 2.00 C ATOM 1696 CD1 TRP A 116 9.638 12.497 -6.155 1.00 3.97 C ATOM 1697 CD2 TRP A 116 8.001 14.012 -6.174 1.00 1.31 C ATOM 1698 NE1 TRP A 116 9.770 13.284 -7.276 1.00 3.82 N ATOM 1699 CE2 TRP A 116 8.754 14.199 -7.370 1.00 1.93 C ATOM 1700 CE3 TRP A 116 6.876 14.840 -6.013 1.00 2.89 C ATOM 1701 CZ2 TRP A 116 8.402 15.138 -8.348 1.00 1.73 C ATOM 1702 CZ3 TRP A 116 6.504 15.782 -6.986 1.00 3.97 C ATOM 1703 CH2 TRP A 116 7.244 15.907 -8.171 1.00 2.88 C ATOM 0 H TRP A 116 9.487 14.248 -3.133 1.00 2.00 H new ATOM 0 HA TRP A 116 6.711 13.673 -3.384 1.00 0.99 H new ATOM 0 HB2 TRP A 116 9.085 11.838 -3.661 1.00 1.65 H new ATOM 0 HB3 TRP A 116 7.466 11.560 -4.270 1.00 1.65 H new ATOM 0 HD1 TRP A 116 10.270 11.655 -5.913 1.00 3.97 H new ATOM 0 HE1 TRP A 116 10.529 13.197 -7.952 1.00 3.82 H new ATOM 0 HE3 TRP A 116 6.281 14.749 -5.116 1.00 2.89 H new ATOM 0 HZ2 TRP A 116 9.015 15.268 -9.227 1.00 1.73 H new ATOM 0 HZ3 TRP A 116 5.644 16.414 -6.821 1.00 3.97 H new ATOM 0 HH2 TRP A 116 6.923 16.592 -8.942 1.00 2.88 H new ATOM 1714 N TRP A 117 6.115 12.300 -1.354 1.00 0.91 N ATOM 1715 CA TRP A 117 5.730 11.359 -0.325 1.00 0.97 C ATOM 1716 C TRP A 117 5.676 10.016 -1.043 1.00 0.99 C ATOM 1717 O TRP A 117 4.741 9.744 -1.794 1.00 1.35 O ATOM 1718 CB TRP A 117 4.362 11.743 0.263 1.00 1.02 C ATOM 1719 CG TRP A 117 4.374 12.530 1.537 1.00 1.19 C ATOM 1720 CD1 TRP A 117 3.772 13.723 1.749 1.00 1.62 C ATOM 1721 CD2 TRP A 117 4.956 12.145 2.816 1.00 1.13 C ATOM 1722 NE1 TRP A 117 3.909 14.083 3.074 1.00 1.82 N ATOM 1723 CE2 TRP A 117 4.623 13.138 3.781 1.00 1.57 C ATOM 1724 CE3 TRP A 117 5.720 11.044 3.260 1.00 0.89 C ATOM 1725 CZ2 TRP A 117 5.011 13.029 5.122 1.00 1.75 C ATOM 1726 CZ3 TRP A 117 6.120 10.931 4.603 1.00 1.11 C ATOM 1727 CH2 TRP A 117 5.772 11.923 5.533 1.00 1.52 C ATOM 0 H TRP A 117 5.332 12.795 -1.781 1.00 0.91 H new ATOM 0 HA TRP A 117 6.423 11.339 0.516 1.00 0.97 H new ATOM 0 HB2 TRP A 117 3.819 12.318 -0.487 1.00 1.02 H new ATOM 0 HB3 TRP A 117 3.796 10.827 0.434 1.00 1.02 H new ATOM 0 HD1 TRP A 117 3.262 14.305 0.996 1.00 1.62 H new ATOM 0 HE1 TRP A 117 3.530 14.939 3.479 1.00 1.82 H new ATOM 0 HE3 TRP A 117 6.002 10.275 2.556 1.00 0.89 H new ATOM 0 HZ2 TRP A 117 4.727 13.790 5.834 1.00 1.75 H new ATOM 0 HZ3 TRP A 117 6.698 10.076 4.921 1.00 1.11 H new ATOM 0 HH2 TRP A 117 6.089 11.836 6.562 1.00 1.52 H new ATOM 1738 N PHE A 118 6.723 9.219 -0.852 1.00 0.70 N ATOM 1739 CA PHE A 118 6.877 7.886 -1.396 1.00 0.63 C ATOM 1740 C PHE A 118 6.158 6.907 -0.486 1.00 0.56 C ATOM 1741 O PHE A 118 6.557 6.704 0.663 1.00 0.75 O ATOM 1742 CB PHE A 118 8.370 7.550 -1.490 1.00 0.67 C ATOM 1743 CG PHE A 118 8.805 6.342 -2.307 1.00 0.74 C ATOM 1744 CD1 PHE A 118 7.866 5.513 -2.953 1.00 1.71 C ATOM 1745 CD2 PHE A 118 10.126 5.883 -2.144 1.00 2.22 C ATOM 1746 CE1 PHE A 118 8.214 4.202 -3.315 1.00 1.81 C ATOM 1747 CE2 PHE A 118 10.478 4.579 -2.532 1.00 2.35 C ATOM 1748 CZ PHE A 118 9.507 3.717 -3.068 1.00 1.26 C ATOM 0 H PHE A 118 7.522 9.505 -0.286 1.00 0.70 H new ATOM 0 HA PHE A 118 6.446 7.824 -2.395 1.00 0.63 H new ATOM 0 HB2 PHE A 118 8.879 8.423 -1.898 1.00 0.67 H new ATOM 0 HB3 PHE A 118 8.740 7.411 -0.474 1.00 0.67 H new ATOM 0 HD1 PHE A 118 6.876 5.887 -3.170 1.00 1.71 H new ATOM 0 HD2 PHE A 118 10.873 6.537 -1.718 1.00 2.22 H new ATOM 0 HE1 PHE A 118 7.482 3.563 -3.786 1.00 1.81 H new ATOM 0 HE2 PHE A 118 11.497 4.239 -2.418 1.00 2.35 H new ATOM 0 HZ PHE A 118 9.754 2.689 -3.288 1.00 1.26 H new ATOM 1758 N ILE A 119 5.089 6.317 -1.008 1.00 0.55 N ATOM 1759 CA ILE A 119 4.347 5.265 -0.353 1.00 0.52 C ATOM 1760 C ILE A 119 4.713 3.949 -1.029 1.00 0.52 C ATOM 1761 O ILE A 119 4.812 3.867 -2.256 1.00 0.53 O ATOM 1762 CB ILE A 119 2.851 5.622 -0.378 1.00 0.61 C ATOM 1763 CG1 ILE A 119 2.622 6.560 0.817 1.00 0.70 C ATOM 1764 CG2 ILE A 119 1.967 4.374 -0.290 1.00 0.62 C ATOM 1765 CD1 ILE A 119 1.410 7.476 0.670 1.00 1.31 C ATOM 0 H ILE A 119 4.711 6.569 -1.921 1.00 0.55 H new ATOM 0 HA ILE A 119 4.600 5.153 0.701 1.00 0.52 H new ATOM 0 HB ILE A 119 2.579 6.103 -1.317 1.00 0.61 H new ATOM 0 HG12 ILE A 119 2.502 5.959 1.718 1.00 0.70 H new ATOM 0 HG13 ILE A 119 3.512 7.173 0.959 1.00 0.70 H new ATOM 0 HG21 ILE A 119 0.918 4.669 -0.311 1.00 0.62 H new ATOM 0 HG22 ILE A 119 2.177 3.719 -1.136 1.00 0.62 H new ATOM 0 HG23 ILE A 119 2.177 3.844 0.639 1.00 0.62 H new ATOM 0 HD11 ILE A 119 1.320 8.105 1.556 1.00 1.31 H new ATOM 0 HD12 ILE A 119 1.534 8.106 -0.211 1.00 1.31 H new ATOM 0 HD13 ILE A 119 0.509 6.872 0.560 1.00 1.31 H new ATOM 1777 N SER A 120 4.935 2.928 -0.207 1.00 0.67 N ATOM 1778 CA SER A 120 5.194 1.559 -0.594 1.00 0.63 C ATOM 1779 C SER A 120 4.319 0.719 0.327 1.00 0.62 C ATOM 1780 O SER A 120 4.231 1.055 1.510 1.00 0.63 O ATOM 1781 CB SER A 120 6.683 1.254 -0.381 1.00 0.64 C ATOM 1782 OG SER A 120 6.997 -0.075 -0.748 1.00 2.33 O ATOM 0 H SER A 120 4.937 3.049 0.806 1.00 0.67 H new ATOM 0 HA SER A 120 4.970 1.356 -1.641 1.00 0.63 H new ATOM 0 HB2 SER A 120 7.285 1.947 -0.969 1.00 0.64 H new ATOM 0 HB3 SER A 120 6.942 1.415 0.665 1.00 0.64 H new ATOM 0 HG SER A 120 7.838 -0.342 -0.322 1.00 2.33 H new ATOM 1788 N CYS A 121 3.677 -0.321 -0.207 1.00 0.71 N ATOM 1789 CA CYS A 121 3.022 -1.379 0.553 1.00 0.67 C ATOM 1790 C CYS A 121 3.641 -2.693 0.138 1.00 0.63 C ATOM 1791 O CYS A 121 3.738 -2.947 -1.060 1.00 0.77 O ATOM 1792 CB CYS A 121 1.513 -1.446 0.291 1.00 0.85 C ATOM 1793 SG CYS A 121 0.477 -0.911 1.660 1.00 1.39 S ATOM 0 H CYS A 121 3.598 -0.452 -1.216 1.00 0.71 H new ATOM 0 HA CYS A 121 3.160 -1.173 1.614 1.00 0.67 H new ATOM 0 HB2 CYS A 121 1.283 -0.832 -0.580 1.00 0.85 H new ATOM 0 HB3 CYS A 121 1.249 -2.472 0.036 1.00 0.85 H new ATOM 1798 N ASN A 122 4.037 -3.507 1.113 1.00 0.61 N ATOM 1799 CA ASN A 122 4.388 -4.907 0.951 1.00 0.63 C ATOM 1800 C ASN A 122 3.175 -5.749 1.349 1.00 0.64 C ATOM 1801 O ASN A 122 2.371 -5.312 2.179 1.00 0.68 O ATOM 1802 CB ASN A 122 5.602 -5.240 1.831 1.00 0.75 C ATOM 1803 CG ASN A 122 6.848 -5.460 0.994 1.00 0.98 C ATOM 1804 OD1 ASN A 122 7.668 -4.557 0.853 1.00 2.48 O ATOM 1805 ND2 ASN A 122 7.012 -6.651 0.430 1.00 1.42 N ATOM 0 H ASN A 122 4.124 -3.190 2.079 1.00 0.61 H new ATOM 0 HA ASN A 122 4.656 -5.122 -0.083 1.00 0.63 H new ATOM 0 HB2 ASN A 122 5.775 -4.428 2.537 1.00 0.75 H new ATOM 0 HB3 ASN A 122 5.393 -6.134 2.418 1.00 0.75 H new ATOM 0 HD21 ASN A 122 7.838 -6.836 -0.140 1.00 1.42 H new ATOM 0 HD22 ASN A 122 6.312 -7.381 0.566 1.00 1.42 H new ATOM 1812 N TYR A 123 3.034 -6.931 0.746 1.00 0.67 N ATOM 1813 CA TYR A 123 1.896 -7.841 0.877 1.00 0.70 C ATOM 1814 C TYR A 123 2.430 -9.256 1.167 1.00 0.85 C ATOM 1815 O TYR A 123 3.528 -9.570 0.706 1.00 0.95 O ATOM 1816 CB TYR A 123 1.095 -7.813 -0.433 1.00 0.63 C ATOM 1817 CG TYR A 123 0.466 -6.475 -0.812 1.00 0.59 C ATOM 1818 CD1 TYR A 123 1.268 -5.406 -1.263 1.00 1.80 C ATOM 1819 CD2 TYR A 123 -0.932 -6.381 -0.951 1.00 1.74 C ATOM 1820 CE1 TYR A 123 0.686 -4.267 -1.842 1.00 1.80 C ATOM 1821 CE2 TYR A 123 -1.500 -5.286 -1.627 1.00 1.69 C ATOM 1822 CZ TYR A 123 -0.691 -4.239 -2.093 1.00 0.47 C ATOM 1823 OH TYR A 123 -1.240 -3.192 -2.775 1.00 0.68 O ATOM 0 H TYR A 123 3.750 -7.298 0.119 1.00 0.67 H new ATOM 0 HA TYR A 123 1.242 -7.539 1.695 1.00 0.70 H new ATOM 0 HB2 TYR A 123 1.754 -8.123 -1.244 1.00 0.63 H new ATOM 0 HB3 TYR A 123 0.301 -8.557 -0.365 1.00 0.63 H new ATOM 0 HD1 TYR A 123 2.342 -5.464 -1.162 1.00 1.80 H new ATOM 0 HD2 TYR A 123 -1.568 -7.150 -0.538 1.00 1.74 H new ATOM 0 HE1 TYR A 123 1.299 -3.414 -2.093 1.00 1.80 H new ATOM 0 HE2 TYR A 123 -2.567 -5.251 -1.789 1.00 1.69 H new ATOM 0 HH TYR A 123 -0.937 -2.349 -2.378 1.00 0.68 H new ATOM 1833 N ASP A 124 1.706 -10.091 1.929 1.00 0.94 N ATOM 1834 CA ASP A 124 2.076 -11.489 2.226 1.00 1.11 C ATOM 1835 C ASP A 124 0.856 -12.406 2.058 1.00 0.99 C ATOM 1836 O ASP A 124 -0.219 -12.073 2.573 1.00 0.97 O ATOM 1837 CB ASP A 124 2.676 -11.646 3.643 1.00 1.42 C ATOM 1838 CG ASP A 124 2.760 -13.059 4.183 1.00 2.04 C ATOM 1839 OD1 ASP A 124 2.907 -14.016 3.402 1.00 2.30 O ATOM 1840 OD2 ASP A 124 2.808 -13.185 5.424 1.00 3.20 O ATOM 0 H ASP A 124 0.828 -9.810 2.366 1.00 0.94 H new ATOM 0 HA ASP A 124 2.848 -11.781 1.514 1.00 1.11 H new ATOM 0 HB2 ASP A 124 3.680 -11.221 3.639 1.00 1.42 H new ATOM 0 HB3 ASP A 124 2.081 -11.050 4.335 1.00 1.42 H new ATOM 1845 N PRO A 125 0.991 -13.558 1.381 1.00 0.95 N ATOM 1846 CA PRO A 125 2.081 -13.894 0.467 1.00 1.00 C ATOM 1847 C PRO A 125 2.145 -12.905 -0.702 1.00 1.03 C ATOM 1848 O PRO A 125 1.389 -11.933 -0.751 1.00 1.11 O ATOM 1849 CB PRO A 125 1.821 -15.338 0.020 1.00 0.99 C ATOM 1850 CG PRO A 125 0.329 -15.527 0.271 1.00 0.95 C ATOM 1851 CD PRO A 125 0.076 -14.674 1.509 1.00 0.92 C ATOM 0 HA PRO A 125 3.057 -13.820 0.946 1.00 1.00 H new ATOM 0 HB2 PRO A 125 2.073 -15.484 -1.030 1.00 0.99 H new ATOM 0 HB3 PRO A 125 2.417 -16.049 0.592 1.00 0.99 H new ATOM 0 HG2 PRO A 125 -0.268 -15.193 -0.578 1.00 0.95 H new ATOM 0 HG3 PRO A 125 0.079 -16.574 0.445 1.00 0.95 H new ATOM 0 HD2 PRO A 125 -0.959 -14.335 1.551 1.00 0.92 H new ATOM 0 HD3 PRO A 125 0.264 -15.237 2.423 1.00 0.92 H new ATOM 1859 N VAL A 126 3.094 -13.132 -1.610 1.00 1.03 N ATOM 1860 CA VAL A 126 3.356 -12.245 -2.731 1.00 1.01 C ATOM 1861 C VAL A 126 2.124 -12.006 -3.607 1.00 1.05 C ATOM 1862 O VAL A 126 1.145 -12.748 -3.552 1.00 1.42 O ATOM 1863 CB VAL A 126 4.560 -12.736 -3.557 1.00 1.07 C ATOM 1864 CG1 VAL A 126 5.823 -12.887 -2.701 1.00 1.12 C ATOM 1865 CG2 VAL A 126 4.264 -14.086 -4.224 1.00 1.29 C ATOM 0 H VAL A 126 3.706 -13.947 -1.583 1.00 1.03 H new ATOM 0 HA VAL A 126 3.612 -11.274 -2.307 1.00 1.01 H new ATOM 0 HB VAL A 126 4.734 -11.975 -4.318 1.00 1.07 H new ATOM 0 HG11 VAL A 126 6.646 -13.235 -3.325 1.00 1.12 H new ATOM 0 HG12 VAL A 126 6.083 -11.923 -2.262 1.00 1.12 H new ATOM 0 HG13 VAL A 126 5.639 -13.610 -1.906 1.00 1.12 H new ATOM 0 HG21 VAL A 126 5.133 -14.406 -4.800 1.00 1.29 H new ATOM 0 HG22 VAL A 126 4.042 -14.829 -3.458 1.00 1.29 H new ATOM 0 HG23 VAL A 126 3.406 -13.983 -4.889 1.00 1.29 H new ATOM 1875 N GLY A 127 2.206 -10.974 -4.447 1.00 0.86 N ATOM 1876 CA GLY A 127 1.170 -10.604 -5.388 1.00 0.86 C ATOM 1877 C GLY A 127 1.799 -10.274 -6.730 1.00 0.76 C ATOM 1878 O GLY A 127 2.995 -10.005 -6.803 1.00 0.93 O ATOM 0 H GLY A 127 3.020 -10.361 -4.486 1.00 0.86 H new ATOM 0 HA2 GLY A 127 0.457 -11.421 -5.500 1.00 0.86 H new ATOM 0 HA3 GLY A 127 0.614 -9.744 -5.014 1.00 0.86 H new ATOM 1882 N ASN A 128 0.997 -10.319 -7.797 1.00 0.75 N ATOM 1883 CA ASN A 128 1.438 -10.159 -9.185 1.00 0.94 C ATOM 1884 C ASN A 128 2.657 -11.024 -9.501 1.00 1.26 C ATOM 1885 O ASN A 128 3.563 -10.627 -10.234 1.00 1.70 O ATOM 1886 CB ASN A 128 1.653 -8.685 -9.539 1.00 0.91 C ATOM 1887 CG ASN A 128 0.350 -8.008 -9.920 1.00 0.93 C ATOM 1888 OD1 ASN A 128 -0.388 -8.492 -10.770 1.00 1.55 O ATOM 1889 ND2 ASN A 128 0.043 -6.858 -9.336 1.00 1.37 N ATOM 0 H ASN A 128 -0.008 -10.473 -7.716 1.00 0.75 H new ATOM 0 HA ASN A 128 0.635 -10.521 -9.827 1.00 0.94 H new ATOM 0 HB2 ASN A 128 2.098 -8.167 -8.690 1.00 0.91 H new ATOM 0 HB3 ASN A 128 2.359 -8.608 -10.365 1.00 0.91 H new ATOM 0 HD21 ASN A 128 -0.814 -6.368 -9.593 1.00 1.37 H new ATOM 0 HD22 ASN A 128 0.664 -6.463 -8.629 1.00 1.37 H new ATOM 1896 N TRP A 129 2.683 -12.212 -8.915 1.00 1.15 N ATOM 1897 CA TRP A 129 3.613 -13.273 -9.250 1.00 1.25 C ATOM 1898 C TRP A 129 2.863 -14.205 -10.224 1.00 1.32 C ATOM 1899 O TRP A 129 1.717 -13.905 -10.576 1.00 1.46 O ATOM 1900 CB TRP A 129 4.124 -13.813 -7.907 1.00 1.16 C ATOM 1901 CG TRP A 129 4.270 -15.268 -7.635 1.00 1.26 C ATOM 1902 CD1 TRP A 129 3.275 -16.137 -7.363 1.00 1.28 C ATOM 1903 CD2 TRP A 129 5.512 -15.981 -7.382 1.00 1.52 C ATOM 1904 NE1 TRP A 129 3.819 -17.348 -6.978 1.00 1.46 N ATOM 1905 CE2 TRP A 129 5.196 -17.297 -6.954 1.00 1.59 C ATOM 1906 CE3 TRP A 129 6.875 -15.621 -7.409 1.00 1.82 C ATOM 1907 CZ2 TRP A 129 6.183 -18.212 -6.574 1.00 1.86 C ATOM 1908 CZ3 TRP A 129 7.875 -16.546 -7.061 1.00 2.12 C ATOM 1909 CH2 TRP A 129 7.535 -17.844 -6.650 1.00 2.11 C ATOM 0 H TRP A 129 2.036 -12.469 -8.170 1.00 1.15 H new ATOM 0 HA TRP A 129 4.523 -13.016 -9.793 1.00 1.25 H new ATOM 0 HB2 TRP A 129 5.104 -13.365 -7.743 1.00 1.16 H new ATOM 0 HB3 TRP A 129 3.460 -13.417 -7.139 1.00 1.16 H new ATOM 0 HD1 TRP A 129 2.219 -15.921 -7.435 1.00 1.28 H new ATOM 0 HE1 TRP A 129 3.271 -18.175 -6.742 1.00 1.46 H new ATOM 0 HE3 TRP A 129 7.155 -14.620 -7.701 1.00 1.82 H new ATOM 0 HZ2 TRP A 129 5.906 -19.196 -6.224 1.00 1.86 H new ATOM 0 HZ3 TRP A 129 8.914 -16.255 -7.110 1.00 2.12 H new ATOM 0 HH2 TRP A 129 8.308 -18.554 -6.394 1.00 2.11 H new ATOM 1920 N ILE A 130 3.463 -15.288 -10.719 1.00 1.62 N ATOM 1921 CA ILE A 130 2.779 -16.202 -11.637 1.00 1.63 C ATOM 1922 C ILE A 130 1.867 -17.174 -10.880 1.00 1.56 C ATOM 1923 O ILE A 130 2.040 -17.400 -9.685 1.00 1.77 O ATOM 1924 CB ILE A 130 3.794 -16.890 -12.581 1.00 2.07 C ATOM 1925 CG1 ILE A 130 3.384 -16.703 -14.052 1.00 2.29 C ATOM 1926 CG2 ILE A 130 4.095 -18.349 -12.205 1.00 2.34 C ATOM 1927 CD1 ILE A 130 4.390 -17.314 -15.032 1.00 3.17 C ATOM 0 H ILE A 130 4.423 -15.555 -10.500 1.00 1.62 H new ATOM 0 HA ILE A 130 2.113 -15.628 -12.281 1.00 1.63 H new ATOM 0 HB ILE A 130 4.751 -16.385 -12.447 1.00 2.07 H new ATOM 0 HG12 ILE A 130 2.406 -17.157 -14.212 1.00 2.29 H new ATOM 0 HG13 ILE A 130 3.279 -15.639 -14.263 1.00 2.29 H new ATOM 0 HG21 ILE A 130 4.814 -18.766 -12.911 1.00 2.34 H new ATOM 0 HG22 ILE A 130 4.511 -18.387 -11.198 1.00 2.34 H new ATOM 0 HG23 ILE A 130 3.174 -18.931 -12.239 1.00 2.34 H new ATOM 0 HD11 ILE A 130 4.048 -17.151 -16.054 1.00 3.17 H new ATOM 0 HD12 ILE A 130 5.363 -16.842 -14.896 1.00 3.17 H new ATOM 0 HD13 ILE A 130 4.476 -18.384 -14.845 1.00 3.17 H new ATOM 1939 N GLY A 131 0.893 -17.774 -11.570 1.00 1.63 N ATOM 1940 CA GLY A 131 0.188 -18.975 -11.122 1.00 1.90 C ATOM 1941 C GLY A 131 -0.824 -18.772 -9.983 1.00 1.76 C ATOM 1942 O GLY A 131 -1.818 -19.497 -9.910 1.00 2.46 O ATOM 0 H GLY A 131 0.567 -17.430 -12.473 1.00 1.63 H new ATOM 0 HA2 GLY A 131 -0.336 -19.405 -11.976 1.00 1.90 H new ATOM 0 HA3 GLY A 131 0.927 -19.708 -10.799 1.00 1.90 H new ATOM 1946 N GLN A 132 -0.630 -17.782 -9.112 1.00 1.59 N ATOM 1947 CA GLN A 132 -1.566 -17.536 -8.030 1.00 1.65 C ATOM 1948 C GLN A 132 -2.699 -16.691 -8.608 1.00 1.58 C ATOM 1949 O GLN A 132 -2.458 -15.687 -9.277 1.00 2.36 O ATOM 1950 CB GLN A 132 -0.896 -16.784 -6.883 1.00 1.73 C ATOM 1951 CG GLN A 132 0.225 -17.553 -6.176 1.00 2.09 C ATOM 1952 CD GLN A 132 0.869 -16.677 -5.100 1.00 2.07 C ATOM 1953 OE1 GLN A 132 0.421 -15.563 -4.850 1.00 2.90 O ATOM 1954 NE2 GLN A 132 1.944 -17.138 -4.481 1.00 2.26 N ATOM 0 H GLN A 132 0.165 -17.143 -9.139 1.00 1.59 H new ATOM 0 HA GLN A 132 -1.934 -18.480 -7.629 1.00 1.65 H new ATOM 0 HB2 GLN A 132 -0.488 -15.850 -7.269 1.00 1.73 H new ATOM 0 HB3 GLN A 132 -1.656 -16.520 -6.147 1.00 1.73 H new ATOM 0 HG2 GLN A 132 -0.175 -18.461 -5.725 1.00 2.09 H new ATOM 0 HG3 GLN A 132 0.977 -17.863 -6.902 1.00 2.09 H new ATOM 0 HE21 GLN A 132 2.301 -18.067 -4.703 1.00 2.26 H new ATOM 0 HE22 GLN A 132 2.415 -16.564 -3.782 1.00 2.26 H new ATOM 1963 N ARG A 133 -3.939 -17.118 -8.395 1.00 1.57 N ATOM 1964 CA ARG A 133 -5.094 -16.484 -9.001 1.00 1.47 C ATOM 1965 C ARG A 133 -5.364 -15.145 -8.306 1.00 1.14 C ATOM 1966 O ARG A 133 -5.441 -15.117 -7.078 1.00 1.15 O ATOM 1967 CB ARG A 133 -6.290 -17.425 -8.837 1.00 1.77 C ATOM 1968 CG ARG A 133 -7.584 -16.844 -9.404 1.00 2.45 C ATOM 1969 CD ARG A 133 -8.697 -17.879 -9.254 1.00 3.09 C ATOM 1970 NE ARG A 133 -10.013 -17.246 -9.389 1.00 4.15 N ATOM 1971 CZ ARG A 133 -11.164 -17.856 -9.094 1.00 5.46 C ATOM 1972 NH1 ARG A 133 -11.176 -19.177 -8.897 1.00 5.95 N ATOM 1973 NH2 ARG A 133 -12.273 -17.138 -8.989 1.00 6.88 N ATOM 0 H ARG A 133 -4.167 -17.913 -7.797 1.00 1.57 H new ATOM 0 HA ARG A 133 -4.920 -16.291 -10.060 1.00 1.47 H new ATOM 0 HB2 ARG A 133 -6.073 -18.370 -9.334 1.00 1.77 H new ATOM 0 HB3 ARG A 133 -6.430 -17.646 -7.779 1.00 1.77 H new ATOM 0 HG2 ARG A 133 -7.848 -15.927 -8.877 1.00 2.45 H new ATOM 0 HG3 ARG A 133 -7.452 -16.582 -10.454 1.00 2.45 H new ATOM 0 HD2 ARG A 133 -8.582 -18.656 -10.010 1.00 3.09 H new ATOM 0 HD3 ARG A 133 -8.620 -18.366 -8.282 1.00 3.09 H new ATOM 0 HE ARG A 133 -10.052 -16.285 -9.728 1.00 4.15 H new ATOM 0 HH11 ARG A 133 -10.311 -19.712 -8.972 1.00 5.95 H new ATOM 0 HH12 ARG A 133 -12.050 -19.651 -8.671 1.00 5.95 H new ATOM 0 HH21 ARG A 133 -12.243 -16.129 -9.133 1.00 6.88 H new ATOM 0 HH22 ARG A 133 -13.157 -17.595 -8.764 1.00 6.88 H new ATOM 1987 N PRO A 134 -5.544 -14.042 -9.049 1.00 0.99 N ATOM 1988 CA PRO A 134 -5.869 -12.768 -8.436 1.00 0.75 C ATOM 1989 C PRO A 134 -7.272 -12.713 -7.812 1.00 0.64 C ATOM 1990 O PRO A 134 -7.412 -12.092 -6.763 1.00 0.63 O ATOM 1991 CB PRO A 134 -5.652 -11.695 -9.508 1.00 0.80 C ATOM 1992 CG PRO A 134 -5.567 -12.448 -10.839 1.00 1.14 C ATOM 1993 CD PRO A 134 -5.181 -13.877 -10.450 1.00 1.25 C ATOM 0 HA PRO A 134 -5.215 -12.598 -7.581 1.00 0.75 H new ATOM 0 HB2 PRO A 134 -6.473 -10.978 -9.516 1.00 0.80 H new ATOM 0 HB3 PRO A 134 -4.738 -11.131 -9.318 1.00 0.80 H new ATOM 0 HG2 PRO A 134 -6.519 -12.425 -11.369 1.00 1.14 H new ATOM 0 HG3 PRO A 134 -4.823 -12.002 -11.500 1.00 1.14 H new ATOM 0 HD2 PRO A 134 -5.704 -14.602 -11.073 1.00 1.25 H new ATOM 0 HD3 PRO A 134 -4.114 -14.043 -10.595 1.00 1.25 H new ATOM 2001 N TYR A 135 -8.313 -13.282 -8.435 1.00 0.81 N ATOM 2002 CA TYR A 135 -9.695 -13.070 -8.010 1.00 0.66 C ATOM 2003 C TYR A 135 -10.619 -14.126 -8.624 1.00 0.90 C ATOM 2004 O TYR A 135 -11.230 -14.875 -7.836 1.00 2.18 O ATOM 2005 CB TYR A 135 -10.181 -11.643 -8.340 1.00 0.57 C ATOM 2006 CG TYR A 135 -10.416 -11.281 -9.800 1.00 0.58 C ATOM 2007 CD1 TYR A 135 -9.370 -11.334 -10.741 1.00 1.89 C ATOM 2008 CD2 TYR A 135 -11.612 -10.634 -10.153 1.00 1.68 C ATOM 2009 CE1 TYR A 135 -9.528 -10.766 -12.018 1.00 1.94 C ATOM 2010 CE2 TYR A 135 -11.717 -9.950 -11.372 1.00 1.76 C ATOM 2011 CZ TYR A 135 -10.696 -10.051 -12.324 1.00 0.93 C ATOM 2012 OH TYR A 135 -10.769 -9.296 -13.450 1.00 1.18 O ATOM 2013 OXT TYR A 135 -10.327 -14.534 -9.764 1.00 1.84 O ATOM 0 H TYR A 135 -8.217 -13.898 -9.242 1.00 0.81 H new ATOM 0 HA TYR A 135 -9.728 -13.178 -6.926 1.00 0.66 H new ATOM 0 HB2 TYR A 135 -11.114 -11.477 -7.802 1.00 0.57 H new ATOM 0 HB3 TYR A 135 -9.451 -10.941 -7.937 1.00 0.57 H new ATOM 0 HD1 TYR A 135 -8.439 -11.815 -10.480 1.00 1.89 H new ATOM 0 HD2 TYR A 135 -12.456 -10.664 -9.480 1.00 1.68 H new ATOM 0 HE1 TYR A 135 -8.752 -10.880 -12.761 1.00 1.94 H new ATOM 0 HE2 TYR A 135 -12.587 -9.344 -11.577 1.00 1.76 H new ATOM 0 HH TYR A 135 -10.397 -9.798 -14.205 1.00 1.18 H new TER 2023 TYR A 135