USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 899 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 96 GLN : amide:sc= 0.528 K(o=1.5,f=-0.12) USER MOD Set 1.2: A 102 SER OG : rot -68:sc= 0.982 USER MOD Set 2.1: A 95 THR OG1 : rot 105:sc= 0.99 USER MOD Set 2.2: A 128 ASN :FLIP amide:sc= 0.591 F(o=0.057,f=1.6) USER MOD Set 3.1: A 82 THR OG1 : rot -150:sc= 0.972 USER MOD Set 3.2: A 84 GLN : amide:sc= 0.457 K(o=1.4,f=-4.9!) USER MOD Set 4.1: A 17 GLN : amide:sc= 1.45 K(o=1.9,f=0.61) USER MOD Set 4.2: A 78 TYR OH : rot 173:sc= 0.49 USER MOD Set 5.1: A 11 HIS : no HE2:sc= 1.62 K(o=4.1,f=-10!) USER MOD Set 5.2: A 54 ASN : amide:sc= 0.486 K(o=4.1,f=1.5!) USER MOD Set 5.3: A 123 TYR OH : rot -162:sc= 2.04 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 1 GLN N :NH3+ -177:sc= 1.14 (180deg=1.12) USER MOD Single : A 2 ASN : amide:sc= -0.0966 K(o=-0.097,f=-4.8!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 7 TYR OH : rot 113:sc= 0.0456 USER MOD Single : A 12 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.5) USER MOD Single : A 23 MET CE :methyl 159:sc= -2.21 (180deg=-4.01) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.05 K(o=1,f=-0.0015) USER MOD Single : A 31 SER OG : rot -44:sc= 0.0442 USER MOD Single : A 34 GLN : amide:sc= 0.633 K(o=0.63,f=-13!) USER MOD Single : A 35 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.53) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.531 K(o=0.53,f=0) USER MOD Single : A 39 SER OG : rot -74:sc= 0.919 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0.0535 (180deg=0.0534) USER MOD Single : A 63 THR OG1 : rot -10:sc= 0.674 USER MOD Single : A 69 GLN : amide:sc= 0.595 K(o=0.59,f=-3.9!) USER MOD Single : A 73 SER OG : rot 63:sc= 0.481 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 79 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.03) USER MOD Single : A 80 TYR OH : rot 150:sc= 1.09 USER MOD Single : A 83 ASN : amide:sc= 0.953 K(o=0.95,f=-0.66) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 94 TYR OH : rot 82:sc= 1.69 USER MOD Single : A 101 ASN :FLIP amide:sc= -1.14 F(o=-1.9,f=-1.1) USER MOD Single : A 120 SER OG : rot -112:sc= -0.224 USER MOD Single : A 122 ASN : amide:sc= 0.743 K(o=0.74,f=-0.069) USER MOD Single : A 132 GLN : amide:sc= 0.531 K(o=0.53,f=-5.2!) USER MOD Single : A 135 TYR OH : rot -164:sc= 0.635 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -6.836 9.452 5.877 1.00 1.78 N ATOM 2 CA GLN A 1 -6.314 9.166 4.531 1.00 1.32 C ATOM 3 C GLN A 1 -4.834 8.736 4.538 1.00 1.21 C ATOM 4 O GLN A 1 -4.297 8.408 3.479 1.00 1.32 O ATOM 5 CB GLN A 1 -6.582 10.288 3.523 1.00 1.33 C ATOM 6 CG GLN A 1 -8.075 10.480 3.193 1.00 2.36 C ATOM 7 CD GLN A 1 -8.276 11.367 1.963 1.00 3.06 C ATOM 8 OE1 GLN A 1 -7.312 11.830 1.360 1.00 3.50 O ATOM 9 NE2 GLN A 1 -9.511 11.622 1.553 1.00 4.04 N ATOM 0 H1 GLN A 1 -7.847 9.686 5.815 1.00 1.78 H new ATOM 0 H2 GLN A 1 -6.711 8.616 6.483 1.00 1.78 H new ATOM 0 H3 GLN A 1 -6.319 10.256 6.286 1.00 1.78 H new ATOM 0 HA GLN A 1 -6.886 8.305 4.184 1.00 1.32 H new ATOM 0 HB2 GLN A 1 -6.183 11.222 3.918 1.00 1.33 H new ATOM 0 HB3 GLN A 1 -6.040 10.074 2.602 1.00 1.33 H new ATOM 0 HG2 GLN A 1 -8.537 9.508 3.019 1.00 2.36 H new ATOM 0 HG3 GLN A 1 -8.582 10.925 4.049 1.00 2.36 H new ATOM 0 HE21 GLN A 1 -10.307 11.234 2.059 1.00 4.04 H new ATOM 0 HE22 GLN A 1 -9.665 12.206 0.731 1.00 4.04 H new ATOM 20 N ASN A 2 -4.152 8.733 5.685 1.00 1.31 N ATOM 21 CA ASN A 2 -2.749 8.337 5.821 1.00 1.48 C ATOM 22 C ASN A 2 -2.563 7.445 7.054 1.00 1.50 C ATOM 23 O ASN A 2 -1.533 7.527 7.721 1.00 2.47 O ATOM 24 CB ASN A 2 -1.856 9.585 5.925 1.00 2.08 C ATOM 25 CG ASN A 2 -2.198 10.467 7.125 1.00 2.40 C ATOM 26 OD1 ASN A 2 -3.263 10.331 7.723 1.00 3.76 O ATOM 27 ND2 ASN A 2 -1.330 11.394 7.497 1.00 2.33 N ATOM 0 H ASN A 2 -4.573 9.014 6.571 1.00 1.31 H new ATOM 0 HA ASN A 2 -2.458 7.770 4.937 1.00 1.48 H new ATOM 0 HB2 ASN A 2 -0.814 9.274 5.995 1.00 2.08 H new ATOM 0 HB3 ASN A 2 -1.953 10.171 5.011 1.00 2.08 H new ATOM 0 HD21 ASN A 2 -1.542 12.004 8.287 1.00 2.33 H new ATOM 0 HD22 ASN A 2 -0.449 11.499 6.994 1.00 2.33 H new ATOM 34 N SER A 3 -3.558 6.610 7.364 1.00 1.31 N ATOM 35 CA SER A 3 -3.490 5.600 8.417 1.00 1.15 C ATOM 36 C SER A 3 -3.307 4.200 7.812 1.00 1.01 C ATOM 37 O SER A 3 -3.515 4.009 6.614 1.00 1.16 O ATOM 38 CB SER A 3 -4.785 5.660 9.242 1.00 1.19 C ATOM 39 OG SER A 3 -4.580 6.238 10.517 1.00 1.69 O ATOM 0 H SER A 3 -4.454 6.620 6.876 1.00 1.31 H new ATOM 0 HA SER A 3 -2.633 5.801 9.060 1.00 1.15 H new ATOM 0 HB2 SER A 3 -5.533 6.238 8.699 1.00 1.19 H new ATOM 0 HB3 SER A 3 -5.185 4.653 9.361 1.00 1.19 H new ATOM 0 HG SER A 3 -5.428 6.258 11.007 1.00 1.69 H new ATOM 45 N PRO A 4 -3.021 3.188 8.644 1.00 0.94 N ATOM 46 CA PRO A 4 -2.939 1.805 8.207 1.00 0.89 C ATOM 47 C PRO A 4 -4.299 1.366 7.664 1.00 0.65 C ATOM 48 O PRO A 4 -4.416 0.870 6.541 1.00 0.58 O ATOM 49 CB PRO A 4 -2.518 1.015 9.451 1.00 1.09 C ATOM 50 CG PRO A 4 -2.974 1.875 10.631 1.00 1.14 C ATOM 51 CD PRO A 4 -2.854 3.299 10.084 1.00 1.11 C ATOM 0 HA PRO A 4 -2.224 1.646 7.400 1.00 0.89 H new ATOM 0 HB2 PRO A 4 -2.988 0.032 9.473 1.00 1.09 H new ATOM 0 HB3 PRO A 4 -1.440 0.854 9.472 1.00 1.09 H new ATOM 0 HG2 PRO A 4 -3.996 1.642 10.929 1.00 1.14 H new ATOM 0 HG3 PRO A 4 -2.344 1.725 11.508 1.00 1.14 H new ATOM 0 HD2 PRO A 4 -3.615 3.949 10.516 1.00 1.11 H new ATOM 0 HD3 PRO A 4 -1.885 3.733 10.333 1.00 1.11 H new ATOM 59 N GLN A 5 -5.346 1.612 8.459 1.00 0.58 N ATOM 60 CA GLN A 5 -6.713 1.304 8.091 1.00 0.47 C ATOM 61 C GLN A 5 -7.112 1.979 6.780 1.00 0.41 C ATOM 62 O GLN A 5 -8.034 1.513 6.133 1.00 0.47 O ATOM 63 CB GLN A 5 -7.682 1.654 9.230 1.00 0.52 C ATOM 64 CG GLN A 5 -7.866 3.155 9.517 1.00 1.96 C ATOM 65 CD GLN A 5 -9.121 3.454 10.341 1.00 2.69 C ATOM 66 OE1 GLN A 5 -9.785 2.559 10.859 1.00 3.04 O ATOM 67 NE2 GLN A 5 -9.489 4.724 10.455 1.00 3.91 N ATOM 0 H GLN A 5 -5.257 2.035 9.383 1.00 0.58 H new ATOM 0 HA GLN A 5 -6.776 0.229 7.924 1.00 0.47 H new ATOM 0 HB2 GLN A 5 -8.657 1.226 8.996 1.00 0.52 H new ATOM 0 HB3 GLN A 5 -7.331 1.170 10.141 1.00 0.52 H new ATOM 0 HG2 GLN A 5 -6.991 3.528 10.049 1.00 1.96 H new ATOM 0 HG3 GLN A 5 -7.920 3.697 8.573 1.00 1.96 H new ATOM 0 HE21 GLN A 5 -8.930 5.458 10.021 1.00 3.91 H new ATOM 0 HE22 GLN A 5 -10.331 4.966 10.977 1.00 3.91 H new ATOM 76 N ASP A 6 -6.459 3.072 6.372 1.00 0.47 N ATOM 77 CA ASP A 6 -6.814 3.716 5.116 1.00 0.54 C ATOM 78 C ASP A 6 -6.429 2.831 3.942 1.00 0.49 C ATOM 79 O ASP A 6 -7.256 2.613 3.057 1.00 0.56 O ATOM 80 CB ASP A 6 -6.173 5.093 4.943 1.00 0.76 C ATOM 81 CG ASP A 6 -6.904 6.181 5.681 1.00 1.00 C ATOM 82 OD1 ASP A 6 -8.119 6.354 5.437 1.00 2.19 O ATOM 83 OD2 ASP A 6 -6.236 6.928 6.422 1.00 1.63 O ATOM 0 H ASP A 6 -5.698 3.517 6.885 1.00 0.47 H new ATOM 0 HA ASP A 6 -7.894 3.862 5.143 1.00 0.54 H new ATOM 0 HB2 ASP A 6 -5.142 5.054 5.294 1.00 0.76 H new ATOM 0 HB3 ASP A 6 -6.140 5.341 3.882 1.00 0.76 H new ATOM 88 N TYR A 7 -5.186 2.336 3.891 1.00 0.48 N ATOM 89 CA TYR A 7 -4.827 1.450 2.792 1.00 0.51 C ATOM 90 C TYR A 7 -5.775 0.257 2.829 1.00 0.47 C ATOM 91 O TYR A 7 -6.399 -0.091 1.826 1.00 0.46 O ATOM 92 CB TYR A 7 -3.375 0.963 2.876 1.00 0.57 C ATOM 93 CG TYR A 7 -2.312 2.042 2.858 1.00 0.57 C ATOM 94 CD1 TYR A 7 -1.841 2.541 4.082 1.00 2.09 C ATOM 95 CD2 TYR A 7 -1.641 2.384 1.667 1.00 1.53 C ATOM 96 CE1 TYR A 7 -0.688 3.336 4.125 1.00 2.59 C ATOM 97 CE2 TYR A 7 -0.532 3.246 1.703 1.00 1.40 C ATOM 98 CZ TYR A 7 -0.047 3.714 2.937 1.00 1.51 C ATOM 99 OH TYR A 7 1.082 4.474 2.989 1.00 2.11 O ATOM 0 H TYR A 7 -4.446 2.526 4.567 1.00 0.48 H new ATOM 0 HA TYR A 7 -4.915 2.002 1.856 1.00 0.51 H new ATOM 0 HB2 TYR A 7 -3.260 0.382 3.791 1.00 0.57 H new ATOM 0 HB3 TYR A 7 -3.191 0.285 2.043 1.00 0.57 H new ATOM 0 HD1 TYR A 7 -2.370 2.311 4.995 1.00 2.09 H new ATOM 0 HD2 TYR A 7 -1.980 1.982 0.724 1.00 1.53 H new ATOM 0 HE1 TYR A 7 -0.292 3.659 5.077 1.00 2.59 H new ATOM 0 HE2 TYR A 7 -0.053 3.549 0.784 1.00 1.40 H new ATOM 0 HH TYR A 7 1.846 3.947 2.675 1.00 2.11 H new ATOM 109 N LEU A 8 -5.876 -0.360 4.004 1.00 0.45 N ATOM 110 CA LEU A 8 -6.718 -1.522 4.214 1.00 0.39 C ATOM 111 C LEU A 8 -8.166 -1.258 3.808 1.00 0.36 C ATOM 112 O LEU A 8 -8.788 -2.129 3.215 1.00 0.34 O ATOM 113 CB LEU A 8 -6.600 -1.992 5.666 1.00 0.42 C ATOM 114 CG LEU A 8 -5.428 -2.965 5.867 1.00 0.51 C ATOM 115 CD1 LEU A 8 -5.297 -3.238 7.362 1.00 0.55 C ATOM 116 CD2 LEU A 8 -5.619 -4.315 5.160 1.00 0.61 C ATOM 0 H LEU A 8 -5.371 -0.062 4.838 1.00 0.45 H new ATOM 0 HA LEU A 8 -6.368 -2.326 3.566 1.00 0.39 H new ATOM 0 HB2 LEU A 8 -6.468 -1.127 6.316 1.00 0.42 H new ATOM 0 HB3 LEU A 8 -7.529 -2.478 5.966 1.00 0.42 H new ATOM 0 HG LEU A 8 -4.543 -2.496 5.437 1.00 0.51 H new ATOM 0 HD11 LEU A 8 -4.471 -3.928 7.535 1.00 0.55 H new ATOM 0 HD12 LEU A 8 -5.105 -2.302 7.887 1.00 0.55 H new ATOM 0 HD13 LEU A 8 -6.222 -3.679 7.734 1.00 0.55 H new ATOM 0 HD21 LEU A 8 -4.752 -4.949 5.347 1.00 0.61 H new ATOM 0 HD22 LEU A 8 -6.515 -4.803 5.543 1.00 0.61 H new ATOM 0 HD23 LEU A 8 -5.725 -4.152 4.087 1.00 0.61 H new ATOM 128 N ALA A 9 -8.701 -0.068 4.070 1.00 0.42 N ATOM 129 CA ALA A 9 -10.062 0.289 3.709 1.00 0.41 C ATOM 130 C ALA A 9 -10.247 0.128 2.214 1.00 0.33 C ATOM 131 O ALA A 9 -11.150 -0.575 1.769 1.00 0.32 O ATOM 132 CB ALA A 9 -10.380 1.732 4.109 1.00 0.56 C ATOM 0 H ALA A 9 -8.194 0.679 4.543 1.00 0.42 H new ATOM 0 HA ALA A 9 -10.743 -0.373 4.244 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -11.405 1.970 3.826 1.00 0.56 H new ATOM 0 HB2 ALA A 9 -10.266 1.844 5.187 1.00 0.56 H new ATOM 0 HB3 ALA A 9 -9.696 2.410 3.599 1.00 0.56 H new ATOM 138 N VAL A 10 -9.393 0.790 1.437 1.00 0.34 N ATOM 139 CA VAL A 10 -9.504 0.775 -0.010 1.00 0.34 C ATOM 140 C VAL A 10 -9.311 -0.657 -0.525 1.00 0.28 C ATOM 141 O VAL A 10 -10.060 -1.116 -1.387 1.00 0.29 O ATOM 142 CB VAL A 10 -8.499 1.758 -0.628 1.00 0.40 C ATOM 143 CG1 VAL A 10 -8.675 1.782 -2.149 1.00 0.50 C ATOM 144 CG2 VAL A 10 -8.669 3.190 -0.103 1.00 0.49 C ATOM 0 H VAL A 10 -8.614 1.345 1.793 1.00 0.34 H new ATOM 0 HA VAL A 10 -10.499 1.104 -0.311 1.00 0.34 H new ATOM 0 HB VAL A 10 -7.505 1.409 -0.347 1.00 0.40 H new ATOM 0 HG11 VAL A 10 -7.961 2.480 -2.587 1.00 0.50 H new ATOM 0 HG12 VAL A 10 -8.500 0.784 -2.551 1.00 0.50 H new ATOM 0 HG13 VAL A 10 -9.689 2.099 -2.393 1.00 0.50 H new ATOM 0 HG21 VAL A 10 -7.932 3.840 -0.575 1.00 0.49 H new ATOM 0 HG22 VAL A 10 -9.672 3.547 -0.338 1.00 0.49 H new ATOM 0 HG23 VAL A 10 -8.524 3.201 0.977 1.00 0.49 H new ATOM 154 N HIS A 11 -8.307 -1.371 -0.004 1.00 0.29 N ATOM 155 CA HIS A 11 -8.075 -2.756 -0.394 1.00 0.28 C ATOM 156 C HIS A 11 -9.326 -3.589 -0.155 1.00 0.27 C ATOM 157 O HIS A 11 -9.797 -4.287 -1.048 1.00 0.30 O ATOM 158 CB HIS A 11 -6.908 -3.374 0.383 1.00 0.29 C ATOM 159 CG HIS A 11 -5.549 -2.936 -0.088 1.00 0.31 C ATOM 160 ND1 HIS A 11 -4.991 -1.693 0.076 1.00 0.37 N ATOM 161 CD2 HIS A 11 -4.636 -3.716 -0.739 1.00 0.35 C ATOM 162 CE1 HIS A 11 -3.766 -1.718 -0.467 1.00 0.45 C ATOM 163 NE2 HIS A 11 -3.510 -2.929 -0.986 1.00 0.44 N ATOM 0 H HIS A 11 -7.648 -1.010 0.685 1.00 0.29 H new ATOM 0 HA HIS A 11 -7.825 -2.756 -1.455 1.00 0.28 H new ATOM 0 HB2 HIS A 11 -7.014 -3.119 1.437 1.00 0.29 H new ATOM 0 HB3 HIS A 11 -6.972 -4.460 0.310 1.00 0.29 H new ATOM 0 HD1 HIS A 11 -5.430 -0.892 0.530 1.00 0.37 H new ATOM 0 HD2 HIS A 11 -4.762 -4.753 -1.013 1.00 0.35 H new ATOM 0 HE1 HIS A 11 -3.082 -0.882 -0.484 1.00 0.45 H new ATOM 171 N ASN A 12 -9.838 -3.529 1.066 1.00 0.30 N ATOM 172 CA ASN A 12 -10.997 -4.287 1.492 1.00 0.36 C ATOM 173 C ASN A 12 -12.202 -3.872 0.661 1.00 0.35 C ATOM 174 O ASN A 12 -13.017 -4.720 0.329 1.00 0.41 O ATOM 175 CB ASN A 12 -11.250 -4.110 2.994 1.00 0.51 C ATOM 176 CG ASN A 12 -10.193 -4.783 3.866 1.00 0.74 C ATOM 177 OD1 ASN A 12 -9.480 -5.684 3.429 1.00 1.53 O ATOM 178 ND2 ASN A 12 -10.074 -4.369 5.125 1.00 0.73 N ATOM 0 H ASN A 12 -9.448 -2.938 1.801 1.00 0.30 H new ATOM 0 HA ASN A 12 -10.814 -5.349 1.330 1.00 0.36 H new ATOM 0 HB2 ASN A 12 -11.280 -3.046 3.228 1.00 0.51 H new ATOM 0 HB3 ASN A 12 -12.230 -4.519 3.241 1.00 0.51 H new ATOM 0 HD21 ASN A 12 -9.385 -4.800 5.741 1.00 0.73 H new ATOM 0 HD22 ASN A 12 -10.672 -3.620 5.474 1.00 0.73 H new ATOM 185 N ASP A 13 -12.301 -2.601 0.264 1.00 0.36 N ATOM 186 CA ASP A 13 -13.312 -2.147 -0.685 1.00 0.38 C ATOM 187 C ASP A 13 -13.247 -2.893 -2.004 1.00 0.38 C ATOM 188 O ASP A 13 -14.226 -3.489 -2.442 1.00 0.45 O ATOM 189 CB ASP A 13 -13.233 -0.637 -0.936 1.00 0.42 C ATOM 190 CG ASP A 13 -14.598 -0.011 -0.954 1.00 0.55 C ATOM 191 OD1 ASP A 13 -15.219 -0.021 -2.038 1.00 1.55 O ATOM 192 OD2 ASP A 13 -15.032 0.496 0.103 1.00 1.76 O ATOM 0 H ASP A 13 -11.681 -1.861 0.593 1.00 0.36 H new ATOM 0 HA ASP A 13 -14.272 -2.369 -0.218 1.00 0.38 H new ATOM 0 HB2 ASP A 13 -12.627 -0.169 -0.160 1.00 0.42 H new ATOM 0 HB3 ASP A 13 -12.733 -0.451 -1.887 1.00 0.42 H new ATOM 197 N ALA A 14 -12.094 -2.826 -2.660 1.00 0.39 N ATOM 198 CA ALA A 14 -11.899 -3.483 -3.940 1.00 0.49 C ATOM 199 C ALA A 14 -12.189 -4.977 -3.796 1.00 0.52 C ATOM 200 O ALA A 14 -12.989 -5.541 -4.534 1.00 0.77 O ATOM 201 CB ALA A 14 -10.473 -3.212 -4.420 1.00 0.54 C ATOM 0 H ALA A 14 -11.277 -2.319 -2.320 1.00 0.39 H new ATOM 0 HA ALA A 14 -12.587 -3.090 -4.688 1.00 0.49 H new ATOM 0 HB1 ALA A 14 -10.314 -3.701 -5.381 1.00 0.54 H new ATOM 0 HB2 ALA A 14 -10.324 -2.138 -4.530 1.00 0.54 H new ATOM 0 HB3 ALA A 14 -9.763 -3.604 -3.692 1.00 0.54 H new ATOM 207 N ARG A 15 -11.565 -5.620 -2.812 1.00 0.40 N ATOM 208 CA ARG A 15 -11.782 -7.029 -2.540 1.00 0.48 C ATOM 209 C ARG A 15 -13.269 -7.323 -2.336 1.00 0.57 C ATOM 210 O ARG A 15 -13.806 -8.256 -2.928 1.00 0.67 O ATOM 211 CB ARG A 15 -10.929 -7.467 -1.343 1.00 0.45 C ATOM 212 CG ARG A 15 -9.459 -7.522 -1.766 1.00 0.47 C ATOM 213 CD ARG A 15 -8.550 -8.048 -0.655 1.00 0.74 C ATOM 214 NE ARG A 15 -7.163 -8.054 -1.113 1.00 1.53 N ATOM 215 CZ ARG A 15 -6.247 -9.005 -0.902 1.00 2.08 C ATOM 216 NH1 ARG A 15 -6.438 -10.000 -0.029 1.00 2.81 N ATOM 217 NH2 ARG A 15 -5.111 -8.915 -1.588 1.00 3.40 N ATOM 0 H ARG A 15 -10.896 -5.175 -2.184 1.00 0.40 H new ATOM 0 HA ARG A 15 -11.465 -7.615 -3.403 1.00 0.48 H new ATOM 0 HB2 ARG A 15 -11.056 -6.769 -0.516 1.00 0.45 H new ATOM 0 HB3 ARG A 15 -11.254 -8.445 -0.988 1.00 0.45 H new ATOM 0 HG2 ARG A 15 -9.361 -8.160 -2.644 1.00 0.47 H new ATOM 0 HG3 ARG A 15 -9.131 -6.525 -2.058 1.00 0.47 H new ATOM 0 HD2 ARG A 15 -8.647 -7.423 0.233 1.00 0.74 H new ATOM 0 HD3 ARG A 15 -8.853 -9.056 -0.371 1.00 0.74 H new ATOM 0 HE ARG A 15 -6.860 -7.244 -1.653 1.00 1.53 H new ATOM 0 HH11 ARG A 15 -7.306 -10.052 0.503 1.00 2.81 H new ATOM 0 HH12 ARG A 15 -5.715 -10.707 0.104 1.00 2.81 H new ATOM 0 HH21 ARG A 15 -4.969 -8.144 -2.241 1.00 3.40 H new ATOM 0 HH22 ARG A 15 -4.382 -9.617 -1.461 1.00 3.40 H new ATOM 231 N ALA A 16 -13.945 -6.508 -1.533 1.00 0.57 N ATOM 232 CA ALA A 16 -15.369 -6.630 -1.297 1.00 0.70 C ATOM 233 C ALA A 16 -16.120 -6.619 -2.626 1.00 0.76 C ATOM 234 O ALA A 16 -16.953 -7.494 -2.881 1.00 0.91 O ATOM 235 CB ALA A 16 -15.860 -5.514 -0.367 1.00 0.72 C ATOM 0 H ALA A 16 -13.510 -5.738 -1.025 1.00 0.57 H new ATOM 0 HA ALA A 16 -15.567 -7.580 -0.802 1.00 0.70 H new ATOM 0 HB1 ALA A 16 -16.932 -5.623 -0.202 1.00 0.72 H new ATOM 0 HB2 ALA A 16 -15.337 -5.579 0.587 1.00 0.72 H new ATOM 0 HB3 ALA A 16 -15.660 -4.545 -0.824 1.00 0.72 H new ATOM 241 N GLN A 17 -15.814 -5.643 -3.480 1.00 0.72 N ATOM 242 CA GLN A 17 -16.467 -5.494 -4.768 1.00 0.85 C ATOM 243 C GLN A 17 -16.420 -6.783 -5.584 1.00 0.94 C ATOM 244 O GLN A 17 -17.422 -7.127 -6.203 1.00 1.36 O ATOM 245 CB GLN A 17 -15.898 -4.311 -5.554 1.00 0.84 C ATOM 246 CG GLN A 17 -16.240 -2.951 -4.936 1.00 1.21 C ATOM 247 CD GLN A 17 -15.354 -1.858 -5.524 1.00 1.27 C ATOM 248 OE1 GLN A 17 -15.052 -1.868 -6.716 1.00 2.23 O ATOM 249 NE2 GLN A 17 -14.906 -0.911 -4.707 1.00 1.61 N ATOM 0 H GLN A 17 -15.104 -4.935 -3.292 1.00 0.72 H new ATOM 0 HA GLN A 17 -17.517 -5.280 -4.570 1.00 0.85 H new ATOM 0 HB2 GLN A 17 -14.814 -4.412 -5.615 1.00 0.84 H new ATOM 0 HB3 GLN A 17 -16.280 -4.345 -6.574 1.00 0.84 H new ATOM 0 HG2 GLN A 17 -17.288 -2.715 -5.119 1.00 1.21 H new ATOM 0 HG3 GLN A 17 -16.107 -2.993 -3.855 1.00 1.21 H new ATOM 0 HE21 GLN A 17 -15.169 -0.921 -3.721 1.00 1.61 H new ATOM 0 HE22 GLN A 17 -14.299 -0.173 -5.065 1.00 1.61 H new ATOM 258 N VAL A 18 -15.298 -7.503 -5.580 1.00 0.65 N ATOM 259 CA VAL A 18 -15.146 -8.754 -6.326 1.00 0.65 C ATOM 260 C VAL A 18 -15.274 -10.000 -5.440 1.00 0.70 C ATOM 261 O VAL A 18 -14.840 -11.084 -5.833 1.00 0.90 O ATOM 262 CB VAL A 18 -13.842 -8.723 -7.135 1.00 0.59 C ATOM 263 CG1 VAL A 18 -14.023 -7.796 -8.339 1.00 0.73 C ATOM 264 CG2 VAL A 18 -12.647 -8.235 -6.312 1.00 0.53 C ATOM 0 H VAL A 18 -14.465 -7.234 -5.057 1.00 0.65 H new ATOM 0 HA VAL A 18 -15.976 -8.832 -7.028 1.00 0.65 H new ATOM 0 HB VAL A 18 -13.630 -9.745 -7.449 1.00 0.59 H new ATOM 0 HG11 VAL A 18 -13.101 -7.769 -8.919 1.00 0.73 H new ATOM 0 HG12 VAL A 18 -14.834 -8.167 -8.965 1.00 0.73 H new ATOM 0 HG13 VAL A 18 -14.263 -6.791 -7.992 1.00 0.73 H new ATOM 0 HG21 VAL A 18 -11.752 -8.234 -6.935 1.00 0.53 H new ATOM 0 HG22 VAL A 18 -12.841 -7.224 -5.953 1.00 0.53 H new ATOM 0 HG23 VAL A 18 -12.496 -8.899 -5.461 1.00 0.53 H new ATOM 274 N GLY A 19 -15.884 -9.871 -4.260 1.00 0.68 N ATOM 275 CA GLY A 19 -16.120 -10.989 -3.358 1.00 0.72 C ATOM 276 C GLY A 19 -14.838 -11.786 -3.148 1.00 0.69 C ATOM 277 O GLY A 19 -14.788 -12.989 -3.408 1.00 0.93 O ATOM 0 H GLY A 19 -16.229 -8.979 -3.905 1.00 0.68 H new ATOM 0 HA2 GLY A 19 -16.487 -10.620 -2.400 1.00 0.72 H new ATOM 0 HA3 GLY A 19 -16.895 -11.637 -3.768 1.00 0.72 H new ATOM 281 N VAL A 20 -13.792 -11.083 -2.730 1.00 0.66 N ATOM 282 CA VAL A 20 -12.501 -11.616 -2.349 1.00 0.58 C ATOM 283 C VAL A 20 -12.412 -11.452 -0.833 1.00 0.62 C ATOM 284 O VAL A 20 -12.587 -10.344 -0.329 1.00 0.69 O ATOM 285 CB VAL A 20 -11.409 -10.808 -3.078 1.00 0.53 C ATOM 286 CG1 VAL A 20 -10.021 -11.051 -2.493 1.00 0.68 C ATOM 287 CG2 VAL A 20 -11.361 -11.113 -4.578 1.00 0.54 C ATOM 0 H VAL A 20 -13.830 -10.067 -2.645 1.00 0.66 H new ATOM 0 HA VAL A 20 -12.370 -12.664 -2.618 1.00 0.58 H new ATOM 0 HB VAL A 20 -11.684 -9.764 -2.932 1.00 0.53 H new ATOM 0 HG11 VAL A 20 -9.287 -10.460 -3.040 1.00 0.68 H new ATOM 0 HG12 VAL A 20 -10.012 -10.759 -1.443 1.00 0.68 H new ATOM 0 HG13 VAL A 20 -9.771 -12.109 -2.577 1.00 0.68 H new ATOM 0 HG21 VAL A 20 -10.576 -10.519 -5.045 1.00 0.54 H new ATOM 0 HG22 VAL A 20 -11.152 -12.172 -4.727 1.00 0.54 H new ATOM 0 HG23 VAL A 20 -12.321 -10.865 -5.031 1.00 0.54 H new ATOM 297 N GLY A 21 -12.119 -12.522 -0.098 1.00 0.76 N ATOM 298 CA GLY A 21 -11.856 -12.427 1.330 1.00 0.77 C ATOM 299 C GLY A 21 -10.719 -11.427 1.573 1.00 0.78 C ATOM 300 O GLY A 21 -9.757 -11.447 0.795 1.00 1.21 O ATOM 0 H GLY A 21 -12.058 -13.469 -0.473 1.00 0.76 H new ATOM 0 HA2 GLY A 21 -12.755 -12.107 1.856 1.00 0.77 H new ATOM 0 HA3 GLY A 21 -11.586 -13.405 1.727 1.00 0.77 H new ATOM 304 N PRO A 22 -10.816 -10.577 2.610 1.00 0.69 N ATOM 305 CA PRO A 22 -10.079 -9.319 2.767 1.00 0.86 C ATOM 306 C PRO A 22 -8.569 -9.512 3.009 1.00 0.97 C ATOM 307 O PRO A 22 -7.921 -10.315 2.333 1.00 1.42 O ATOM 308 CB PRO A 22 -10.854 -8.576 3.875 1.00 1.09 C ATOM 309 CG PRO A 22 -11.411 -9.702 4.738 1.00 1.08 C ATOM 310 CD PRO A 22 -11.802 -10.721 3.673 1.00 0.83 C ATOM 0 HA PRO A 22 -10.049 -8.723 1.855 1.00 0.86 H new ATOM 0 HB2 PRO A 22 -10.202 -7.917 4.448 1.00 1.09 H new ATOM 0 HB3 PRO A 22 -11.650 -7.956 3.461 1.00 1.09 H new ATOM 0 HG2 PRO A 22 -10.668 -10.095 5.432 1.00 1.08 H new ATOM 0 HG3 PRO A 22 -12.265 -9.380 5.334 1.00 1.08 H new ATOM 0 HD2 PRO A 22 -11.796 -11.733 4.078 1.00 0.83 H new ATOM 0 HD3 PRO A 22 -12.809 -10.532 3.301 1.00 0.83 H new ATOM 318 N MET A 23 -7.974 -8.709 3.891 1.00 0.73 N ATOM 319 CA MET A 23 -6.595 -8.829 4.340 1.00 0.75 C ATOM 320 C MET A 23 -6.431 -8.177 5.713 1.00 0.68 C ATOM 321 O MET A 23 -7.380 -7.599 6.252 1.00 0.67 O ATOM 322 CB MET A 23 -5.629 -8.208 3.320 1.00 0.78 C ATOM 323 CG MET A 23 -6.187 -6.974 2.607 1.00 0.84 C ATOM 324 SD MET A 23 -4.952 -5.995 1.722 1.00 1.25 S ATOM 325 CE MET A 23 -3.864 -7.300 1.119 1.00 0.90 C ATOM 0 H MET A 23 -8.463 -7.927 4.327 1.00 0.73 H new ATOM 0 HA MET A 23 -6.350 -9.888 4.426 1.00 0.75 H new ATOM 0 HB2 MET A 23 -4.705 -7.934 3.830 1.00 0.78 H new ATOM 0 HB3 MET A 23 -5.371 -8.960 2.575 1.00 0.78 H new ATOM 0 HG2 MET A 23 -6.953 -7.294 1.900 1.00 0.84 H new ATOM 0 HG3 MET A 23 -6.678 -6.337 3.342 1.00 0.84 H new ATOM 0 HE1 MET A 23 -3.287 -6.930 0.272 1.00 0.90 H new ATOM 0 HE2 MET A 23 -3.185 -7.605 1.915 1.00 0.90 H new ATOM 0 HE3 MET A 23 -4.462 -8.156 0.805 1.00 0.90 H new ATOM 335 N SER A 24 -5.218 -8.249 6.260 1.00 0.80 N ATOM 336 CA SER A 24 -4.817 -7.623 7.505 1.00 0.75 C ATOM 337 C SER A 24 -3.503 -6.861 7.381 1.00 0.63 C ATOM 338 O SER A 24 -2.774 -6.974 6.392 1.00 0.70 O ATOM 339 CB SER A 24 -4.827 -8.666 8.628 1.00 0.93 C ATOM 340 OG SER A 24 -3.549 -9.130 8.998 1.00 0.99 O ATOM 0 H SER A 24 -4.459 -8.771 5.822 1.00 0.80 H new ATOM 0 HA SER A 24 -5.544 -6.854 7.765 1.00 0.75 H new ATOM 0 HB2 SER A 24 -5.312 -8.235 9.504 1.00 0.93 H new ATOM 0 HB3 SER A 24 -5.433 -9.516 8.314 1.00 0.93 H new ATOM 0 HG SER A 24 -3.636 -9.789 9.718 1.00 0.99 H new ATOM 346 N TRP A 25 -3.239 -6.072 8.415 1.00 0.57 N ATOM 347 CA TRP A 25 -2.020 -5.297 8.569 1.00 0.50 C ATOM 348 C TRP A 25 -0.948 -6.246 9.102 1.00 0.51 C ATOM 349 O TRP A 25 -0.974 -6.570 10.292 1.00 1.12 O ATOM 350 CB TRP A 25 -2.229 -4.138 9.562 1.00 0.47 C ATOM 351 CG TRP A 25 -1.225 -3.037 9.414 1.00 0.47 C ATOM 352 CD1 TRP A 25 -0.256 -2.661 10.280 1.00 0.50 C ATOM 353 CD2 TRP A 25 -1.101 -2.151 8.276 1.00 0.52 C ATOM 354 NE1 TRP A 25 0.438 -1.586 9.751 1.00 0.55 N ATOM 355 CE2 TRP A 25 -0.045 -1.226 8.507 1.00 0.56 C ATOM 356 CE3 TRP A 25 -1.800 -2.048 7.065 1.00 0.58 C ATOM 357 CZ2 TRP A 25 0.281 -0.222 7.574 1.00 0.62 C ATOM 358 CZ3 TRP A 25 -1.500 -1.046 6.141 1.00 0.66 C ATOM 359 CH2 TRP A 25 -0.478 -0.114 6.392 1.00 0.66 C ATOM 0 H TRP A 25 -3.889 -5.952 9.192 1.00 0.57 H new ATOM 0 HA TRP A 25 -1.726 -4.864 7.613 1.00 0.50 H new ATOM 0 HB2 TRP A 25 -3.229 -3.728 9.424 1.00 0.47 H new ATOM 0 HB3 TRP A 25 -2.182 -4.528 10.579 1.00 0.47 H new ATOM 0 HD1 TRP A 25 -0.055 -3.126 11.234 1.00 0.50 H new ATOM 0 HE1 TRP A 25 1.212 -1.117 10.222 1.00 0.55 H new ATOM 0 HE3 TRP A 25 -2.584 -2.757 6.843 1.00 0.58 H new ATOM 0 HZ2 TRP A 25 1.101 0.455 7.762 1.00 0.62 H new ATOM 0 HZ3 TRP A 25 -2.061 -0.986 5.220 1.00 0.66 H new ATOM 0 HH2 TRP A 25 -0.277 0.677 5.685 1.00 0.66 H new ATOM 370 N ASP A 26 0.006 -6.677 8.275 1.00 0.64 N ATOM 371 CA ASP A 26 1.221 -7.271 8.816 1.00 0.58 C ATOM 372 C ASP A 26 2.131 -6.099 9.154 1.00 0.74 C ATOM 373 O ASP A 26 2.644 -5.411 8.268 1.00 1.33 O ATOM 374 CB ASP A 26 1.898 -8.244 7.842 1.00 0.59 C ATOM 375 CG ASP A 26 3.107 -8.922 8.474 1.00 1.77 C ATOM 376 OD1 ASP A 26 3.613 -8.423 9.498 1.00 2.95 O ATOM 377 OD2 ASP A 26 3.524 -9.968 7.930 1.00 2.95 O ATOM 0 H ASP A 26 -0.038 -6.627 7.257 1.00 0.64 H new ATOM 0 HA ASP A 26 0.992 -7.878 9.692 1.00 0.58 H new ATOM 0 HB2 ASP A 26 1.180 -9.001 7.526 1.00 0.59 H new ATOM 0 HB3 ASP A 26 2.209 -7.706 6.947 1.00 0.59 H new ATOM 382 N ALA A 27 2.319 -5.862 10.448 1.00 0.59 N ATOM 383 CA ALA A 27 3.126 -4.754 10.918 1.00 0.75 C ATOM 384 C ALA A 27 4.576 -4.937 10.470 1.00 0.64 C ATOM 385 O ALA A 27 5.304 -3.958 10.351 1.00 0.65 O ATOM 386 CB ALA A 27 3.034 -4.668 12.442 1.00 1.01 C ATOM 0 H ALA A 27 1.917 -6.432 11.192 1.00 0.59 H new ATOM 0 HA ALA A 27 2.753 -3.823 10.492 1.00 0.75 H new ATOM 0 HB1 ALA A 27 3.641 -3.835 12.797 1.00 1.01 H new ATOM 0 HB2 ALA A 27 1.996 -4.512 12.736 1.00 1.01 H new ATOM 0 HB3 ALA A 27 3.400 -5.596 12.882 1.00 1.01 H new ATOM 392 N ASN A 28 4.997 -6.166 10.175 1.00 0.63 N ATOM 393 CA ASN A 28 6.340 -6.440 9.698 1.00 0.63 C ATOM 394 C ASN A 28 6.464 -6.046 8.240 1.00 0.51 C ATOM 395 O ASN A 28 7.528 -5.610 7.807 1.00 0.50 O ATOM 396 CB ASN A 28 6.678 -7.925 9.796 1.00 0.69 C ATOM 397 CG ASN A 28 6.548 -8.464 11.201 1.00 0.95 C ATOM 398 OD1 ASN A 28 7.505 -8.403 11.966 1.00 1.55 O ATOM 399 ND2 ASN A 28 5.376 -8.930 11.598 1.00 2.05 N ATOM 0 H ASN A 28 4.411 -6.997 10.262 1.00 0.63 H new ATOM 0 HA ASN A 28 7.023 -5.864 10.323 1.00 0.63 H new ATOM 0 HB2 ASN A 28 6.020 -8.487 9.134 1.00 0.69 H new ATOM 0 HB3 ASN A 28 7.697 -8.085 9.443 1.00 0.69 H new ATOM 0 HD21 ASN A 28 5.253 -9.249 12.559 1.00 2.05 H new ATOM 0 HD22 ASN A 28 4.595 -8.971 10.943 1.00 2.05 H new ATOM 406 N LEU A 29 5.416 -6.236 7.438 1.00 0.54 N ATOM 407 CA LEU A 29 5.446 -5.724 6.085 1.00 0.47 C ATOM 408 C LEU A 29 5.432 -4.206 6.146 1.00 0.44 C ATOM 409 O LEU A 29 6.134 -3.565 5.374 1.00 0.45 O ATOM 410 CB LEU A 29 4.251 -6.216 5.272 1.00 0.52 C ATOM 411 CG LEU A 29 4.294 -7.688 4.851 1.00 0.64 C ATOM 412 CD1 LEU A 29 3.125 -7.898 3.891 1.00 1.23 C ATOM 413 CD2 LEU A 29 5.586 -8.071 4.124 1.00 0.52 C ATOM 0 H LEU A 29 4.562 -6.728 7.700 1.00 0.54 H new ATOM 0 HA LEU A 29 6.350 -6.083 5.593 1.00 0.47 H new ATOM 0 HB2 LEU A 29 3.345 -6.051 5.855 1.00 0.52 H new ATOM 0 HB3 LEU A 29 4.169 -5.603 4.375 1.00 0.52 H new ATOM 0 HG LEU A 29 4.240 -8.308 5.746 1.00 0.64 H new ATOM 0 HD11 LEU A 29 3.109 -8.936 3.559 1.00 1.23 H new ATOM 0 HD12 LEU A 29 2.190 -7.666 4.400 1.00 1.23 H new ATOM 0 HD13 LEU A 29 3.241 -7.242 3.028 1.00 1.23 H new ATOM 0 HD21 LEU A 29 5.552 -9.126 3.853 1.00 0.52 H new ATOM 0 HD22 LEU A 29 5.688 -7.468 3.222 1.00 0.52 H new ATOM 0 HD23 LEU A 29 6.439 -7.892 4.779 1.00 0.52 H new ATOM 425 N ALA A 30 4.638 -3.621 7.044 1.00 0.44 N ATOM 426 CA ALA A 30 4.602 -2.174 7.185 1.00 0.45 C ATOM 427 C ALA A 30 6.000 -1.655 7.513 1.00 0.46 C ATOM 428 O ALA A 30 6.521 -0.786 6.814 1.00 0.41 O ATOM 429 CB ALA A 30 3.568 -1.763 8.234 1.00 0.48 C ATOM 0 H ALA A 30 4.018 -4.126 7.677 1.00 0.44 H new ATOM 0 HA ALA A 30 4.292 -1.721 6.243 1.00 0.45 H new ATOM 0 HB1 ALA A 30 3.555 -0.677 8.326 1.00 0.48 H new ATOM 0 HB2 ALA A 30 2.582 -2.113 7.929 1.00 0.48 H new ATOM 0 HB3 ALA A 30 3.829 -2.205 9.195 1.00 0.48 H new ATOM 435 N SER A 31 6.622 -2.223 8.545 1.00 0.57 N ATOM 436 CA SER A 31 7.943 -1.844 8.991 1.00 0.65 C ATOM 437 C SER A 31 8.925 -1.973 7.828 1.00 0.61 C ATOM 438 O SER A 31 9.587 -1.013 7.449 1.00 0.64 O ATOM 439 CB SER A 31 8.311 -2.698 10.214 1.00 0.76 C ATOM 440 OG SER A 31 8.659 -4.029 9.893 1.00 1.12 O ATOM 0 H SER A 31 6.206 -2.972 9.098 1.00 0.57 H new ATOM 0 HA SER A 31 7.980 -0.802 9.307 1.00 0.65 H new ATOM 0 HB2 SER A 31 9.145 -2.229 10.736 1.00 0.76 H new ATOM 0 HB3 SER A 31 7.468 -2.709 10.905 1.00 0.76 H new ATOM 0 HG SER A 31 8.025 -4.383 9.235 1.00 1.12 H new ATOM 446 N ARG A 32 8.985 -3.159 7.228 1.00 0.61 N ATOM 447 CA ARG A 32 9.906 -3.489 6.155 1.00 0.70 C ATOM 448 C ARG A 32 9.696 -2.576 4.950 1.00 0.54 C ATOM 449 O ARG A 32 10.662 -2.153 4.321 1.00 0.57 O ATOM 450 CB ARG A 32 9.689 -4.966 5.803 1.00 0.92 C ATOM 451 CG ARG A 32 10.688 -5.601 4.859 1.00 0.95 C ATOM 452 CD ARG A 32 10.373 -5.386 3.369 1.00 2.08 C ATOM 453 NE ARG A 32 11.311 -6.129 2.515 1.00 2.76 N ATOM 454 CZ ARG A 32 12.595 -5.798 2.318 1.00 3.67 C ATOM 455 NH1 ARG A 32 13.102 -4.751 2.969 1.00 4.64 N ATOM 456 NH2 ARG A 32 13.340 -6.496 1.469 1.00 4.43 N ATOM 0 H ARG A 32 8.376 -3.935 7.485 1.00 0.61 H new ATOM 0 HA ARG A 32 10.937 -3.334 6.471 1.00 0.70 H new ATOM 0 HB2 ARG A 32 9.688 -5.539 6.730 1.00 0.92 H new ATOM 0 HB3 ARG A 32 8.696 -5.068 5.364 1.00 0.92 H new ATOM 0 HG2 ARG A 32 11.678 -5.198 5.071 1.00 0.95 H new ATOM 0 HG3 ARG A 32 10.730 -6.672 5.059 1.00 0.95 H new ATOM 0 HD2 ARG A 32 9.353 -5.709 3.160 1.00 2.08 H new ATOM 0 HD3 ARG A 32 10.426 -4.323 3.133 1.00 2.08 H new ATOM 0 HE ARG A 32 10.959 -6.958 2.037 1.00 2.76 H new ATOM 0 HH11 ARG A 32 12.515 -4.214 3.607 1.00 4.64 H new ATOM 0 HH12 ARG A 32 14.077 -4.487 2.829 1.00 4.64 H new ATOM 0 HH21 ARG A 32 12.935 -7.285 0.965 1.00 4.43 H new ATOM 0 HH22 ARG A 32 14.317 -6.243 1.320 1.00 4.43 H new ATOM 470 N ALA A 33 8.448 -2.305 4.580 1.00 0.45 N ATOM 471 CA ALA A 33 8.117 -1.487 3.426 1.00 0.47 C ATOM 472 C ALA A 33 8.542 -0.044 3.677 1.00 0.40 C ATOM 473 O ALA A 33 9.180 0.569 2.822 1.00 0.49 O ATOM 474 CB ALA A 33 6.620 -1.574 3.117 1.00 0.54 C ATOM 0 H ALA A 33 7.631 -2.653 5.082 1.00 0.45 H new ATOM 0 HA ALA A 33 8.658 -1.862 2.557 1.00 0.47 H new ATOM 0 HB1 ALA A 33 6.391 -0.955 2.250 1.00 0.54 H new ATOM 0 HB2 ALA A 33 6.352 -2.609 2.905 1.00 0.54 H new ATOM 0 HB3 ALA A 33 6.050 -1.220 3.976 1.00 0.54 H new ATOM 480 N GLN A 34 8.180 0.495 4.840 1.00 0.42 N ATOM 481 CA GLN A 34 8.523 1.851 5.233 1.00 0.57 C ATOM 482 C GLN A 34 10.038 2.011 5.282 1.00 0.53 C ATOM 483 O GLN A 34 10.596 2.960 4.733 1.00 0.52 O ATOM 484 CB GLN A 34 7.860 2.156 6.589 1.00 0.84 C ATOM 485 CG GLN A 34 8.228 3.506 7.225 1.00 0.97 C ATOM 486 CD GLN A 34 7.782 4.716 6.412 1.00 1.29 C ATOM 487 OE1 GLN A 34 7.826 4.705 5.190 1.00 2.78 O ATOM 488 NE2 GLN A 34 7.330 5.776 7.061 1.00 1.72 N ATOM 0 H GLN A 34 7.634 -0.007 5.540 1.00 0.42 H new ATOM 0 HA GLN A 34 8.150 2.568 4.502 1.00 0.57 H new ATOM 0 HB2 GLN A 34 6.778 2.120 6.460 1.00 0.84 H new ATOM 0 HB3 GLN A 34 8.124 1.362 7.288 1.00 0.84 H new ATOM 0 HG2 GLN A 34 7.780 3.563 8.217 1.00 0.97 H new ATOM 0 HG3 GLN A 34 9.309 3.550 7.360 1.00 0.97 H new ATOM 0 HE21 GLN A 34 7.298 5.774 8.080 1.00 1.72 H new ATOM 0 HE22 GLN A 34 7.014 6.595 6.542 1.00 1.72 H new ATOM 497 N ASN A 35 10.697 1.066 5.942 1.00 0.64 N ATOM 498 CA ASN A 35 12.142 0.985 6.056 1.00 0.81 C ATOM 499 C ASN A 35 12.754 0.950 4.669 1.00 0.74 C ATOM 500 O ASN A 35 13.656 1.727 4.384 1.00 0.81 O ATOM 501 CB ASN A 35 12.542 -0.284 6.815 1.00 1.03 C ATOM 502 CG ASN A 35 12.399 -0.155 8.326 1.00 1.45 C ATOM 503 OD1 ASN A 35 11.757 0.758 8.848 1.00 2.47 O ATOM 504 ND2 ASN A 35 13.010 -1.079 9.051 1.00 1.97 N ATOM 0 H ASN A 35 10.219 0.308 6.429 1.00 0.64 H new ATOM 0 HA ASN A 35 12.504 1.857 6.601 1.00 0.81 H new ATOM 0 HB2 ASN A 35 11.927 -1.115 6.469 1.00 1.03 H new ATOM 0 HB3 ASN A 35 13.576 -0.531 6.575 1.00 1.03 H new ATOM 0 HD21 ASN A 35 12.956 -1.046 10.069 1.00 1.97 H new ATOM 0 HD22 ASN A 35 13.534 -1.823 8.592 1.00 1.97 H new ATOM 511 N TYR A 36 12.277 0.065 3.792 1.00 0.72 N ATOM 512 CA TYR A 36 12.791 -0.037 2.435 1.00 0.85 C ATOM 513 C TYR A 36 12.688 1.323 1.757 1.00 0.77 C ATOM 514 O TYR A 36 13.666 1.837 1.237 1.00 0.90 O ATOM 515 CB TYR A 36 12.046 -1.119 1.635 1.00 0.94 C ATOM 516 CG TYR A 36 12.618 -1.378 0.251 1.00 1.26 C ATOM 517 CD1 TYR A 36 12.366 -0.485 -0.810 1.00 1.62 C ATOM 518 CD2 TYR A 36 13.444 -2.496 0.031 1.00 2.70 C ATOM 519 CE1 TYR A 36 12.994 -0.677 -2.052 1.00 1.92 C ATOM 520 CE2 TYR A 36 13.993 -2.735 -1.241 1.00 3.04 C ATOM 521 CZ TYR A 36 13.813 -1.797 -2.268 1.00 2.18 C ATOM 522 OH TYR A 36 14.292 -2.049 -3.519 1.00 2.61 O ATOM 0 H TYR A 36 11.529 -0.595 4.005 1.00 0.72 H new ATOM 0 HA TYR A 36 13.838 -0.337 2.472 1.00 0.85 H new ATOM 0 HB2 TYR A 36 12.062 -2.050 2.202 1.00 0.94 H new ATOM 0 HB3 TYR A 36 11.001 -0.825 1.534 1.00 0.94 H new ATOM 0 HD1 TYR A 36 11.691 0.346 -0.668 1.00 1.62 H new ATOM 0 HD2 TYR A 36 13.657 -3.174 0.844 1.00 2.70 H new ATOM 0 HE1 TYR A 36 12.846 0.041 -2.845 1.00 1.92 H new ATOM 0 HE2 TYR A 36 14.553 -3.640 -1.427 1.00 3.04 H new ATOM 0 HH TYR A 36 14.843 -2.859 -3.501 1.00 2.61 H new ATOM 532 N ALA A 37 11.496 1.911 1.748 1.00 0.62 N ATOM 533 CA ALA A 37 11.279 3.187 1.089 1.00 0.69 C ATOM 534 C ALA A 37 12.230 4.254 1.640 1.00 0.59 C ATOM 535 O ALA A 37 12.817 5.020 0.882 1.00 0.71 O ATOM 536 CB ALA A 37 9.815 3.573 1.264 1.00 0.78 C ATOM 0 H ALA A 37 10.665 1.520 2.192 1.00 0.62 H new ATOM 0 HA ALA A 37 11.497 3.105 0.024 1.00 0.69 H new ATOM 0 HB1 ALA A 37 9.630 4.530 0.776 1.00 0.78 H new ATOM 0 HB2 ALA A 37 9.181 2.808 0.815 1.00 0.78 H new ATOM 0 HB3 ALA A 37 9.585 3.657 2.326 1.00 0.78 H new ATOM 542 N ASN A 38 12.386 4.280 2.963 1.00 0.47 N ATOM 543 CA ASN A 38 13.308 5.164 3.665 1.00 0.52 C ATOM 544 C ASN A 38 14.730 4.973 3.155 1.00 0.58 C ATOM 545 O ASN A 38 15.349 5.899 2.633 1.00 0.64 O ATOM 546 CB ASN A 38 13.245 4.907 5.177 1.00 0.65 C ATOM 547 CG ASN A 38 12.355 5.912 5.889 1.00 0.88 C ATOM 548 OD1 ASN A 38 12.821 6.973 6.300 1.00 1.45 O ATOM 549 ND2 ASN A 38 11.073 5.608 6.027 1.00 1.78 N ATOM 0 H ASN A 38 11.860 3.671 3.590 1.00 0.47 H new ATOM 0 HA ASN A 38 13.010 6.195 3.472 1.00 0.52 H new ATOM 0 HB2 ASN A 38 12.871 3.899 5.358 1.00 0.65 H new ATOM 0 HB3 ASN A 38 14.251 4.954 5.595 1.00 0.65 H new ATOM 0 HD21 ASN A 38 10.440 6.263 6.486 1.00 1.78 H new ATOM 0 HD22 ASN A 38 10.719 4.719 5.674 1.00 1.78 H new ATOM 556 N SER A 39 15.268 3.773 3.344 1.00 0.80 N ATOM 557 CA SER A 39 16.658 3.481 3.054 1.00 1.08 C ATOM 558 C SER A 39 16.939 3.612 1.559 1.00 1.20 C ATOM 559 O SER A 39 18.051 3.978 1.181 1.00 1.43 O ATOM 560 CB SER A 39 17.031 2.090 3.586 1.00 1.54 C ATOM 561 OG SER A 39 16.086 1.115 3.182 1.00 1.66 O ATOM 0 H SER A 39 14.745 2.975 3.705 1.00 0.80 H new ATOM 0 HA SER A 39 17.286 4.211 3.565 1.00 1.08 H new ATOM 0 HB2 SER A 39 18.021 1.813 3.223 1.00 1.54 H new ATOM 0 HB3 SER A 39 17.086 2.117 4.674 1.00 1.54 H new ATOM 0 HG SER A 39 15.263 1.222 3.703 1.00 1.66 H new ATOM 567 N ARG A 40 15.954 3.296 0.716 1.00 1.29 N ATOM 568 CA ARG A 40 16.114 3.159 -0.721 1.00 1.81 C ATOM 569 C ARG A 40 15.577 4.407 -1.428 1.00 1.86 C ATOM 570 O ARG A 40 15.161 4.344 -2.586 1.00 2.52 O ATOM 571 CB ARG A 40 15.404 1.866 -1.153 1.00 2.47 C ATOM 572 CG ARG A 40 16.093 1.101 -2.283 1.00 2.60 C ATOM 573 CD ARG A 40 15.883 1.691 -3.685 1.00 2.01 C ATOM 574 NE ARG A 40 16.999 2.571 -4.073 1.00 2.58 N ATOM 575 CZ ARG A 40 18.093 2.166 -4.745 1.00 3.60 C ATOM 576 NH1 ARG A 40 18.263 0.873 -5.036 1.00 4.12 N ATOM 577 NH2 ARG A 40 19.011 3.044 -5.139 1.00 4.52 N ATOM 0 H ARG A 40 14.999 3.125 1.030 1.00 1.29 H new ATOM 0 HA ARG A 40 17.164 3.082 -1.002 1.00 1.81 H new ATOM 0 HB2 ARG A 40 15.319 1.209 -0.288 1.00 2.47 H new ATOM 0 HB3 ARG A 40 14.390 2.113 -1.466 1.00 2.47 H new ATOM 0 HG2 ARG A 40 17.163 1.063 -2.077 1.00 2.60 H new ATOM 0 HG3 ARG A 40 15.731 0.073 -2.279 1.00 2.60 H new ATOM 0 HD2 ARG A 40 15.786 0.883 -4.410 1.00 2.01 H new ATOM 0 HD3 ARG A 40 14.950 2.254 -3.708 1.00 2.01 H new ATOM 0 HE ARG A 40 16.939 3.556 -3.814 1.00 2.58 H new ATOM 0 HH11 ARG A 40 17.563 0.189 -4.749 1.00 4.12 H new ATOM 0 HH12 ARG A 40 19.093 0.570 -5.545 1.00 4.12 H new ATOM 0 HH21 ARG A 40 18.890 4.036 -4.933 1.00 4.52 H new ATOM 0 HH22 ARG A 40 19.836 2.726 -5.648 1.00 4.52 H new ATOM 591 N ALA A 41 15.548 5.548 -0.740 1.00 1.62 N ATOM 592 CA ALA A 41 15.117 6.794 -1.342 1.00 1.93 C ATOM 593 C ALA A 41 16.176 7.244 -2.349 1.00 2.35 C ATOM 594 O ALA A 41 16.120 6.821 -3.499 1.00 4.00 O ATOM 595 CB ALA A 41 14.794 7.812 -0.248 1.00 1.85 C ATOM 0 H ALA A 41 15.821 5.627 0.240 1.00 1.62 H new ATOM 0 HA ALA A 41 14.191 6.674 -1.904 1.00 1.93 H new ATOM 0 HB1 ALA A 41 14.470 8.747 -0.705 1.00 1.85 H new ATOM 0 HB2 ALA A 41 13.997 7.424 0.387 1.00 1.85 H new ATOM 0 HB3 ALA A 41 15.684 7.992 0.356 1.00 1.85 H new ATOM 601 N GLY A 42 17.135 8.077 -1.951 1.00 1.40 N ATOM 602 CA GLY A 42 18.276 8.481 -2.763 1.00 1.61 C ATOM 603 C GLY A 42 17.875 9.496 -3.827 1.00 1.18 C ATOM 604 O GLY A 42 18.312 10.646 -3.798 1.00 1.62 O ATOM 0 H GLY A 42 17.138 8.502 -1.024 1.00 1.40 H new ATOM 0 HA2 GLY A 42 19.046 8.910 -2.122 1.00 1.61 H new ATOM 0 HA3 GLY A 42 18.712 7.604 -3.242 1.00 1.61 H new ATOM 608 N ASP A 43 17.016 9.075 -4.747 1.00 1.51 N ATOM 609 CA ASP A 43 16.267 9.949 -5.633 1.00 2.50 C ATOM 610 C ASP A 43 14.857 9.952 -5.048 1.00 2.79 C ATOM 611 O ASP A 43 14.589 10.636 -4.058 1.00 4.18 O ATOM 612 CB ASP A 43 16.274 9.415 -7.082 1.00 3.55 C ATOM 613 CG ASP A 43 17.428 9.889 -7.937 1.00 4.61 C ATOM 614 OD1 ASP A 43 18.584 9.656 -7.532 1.00 4.91 O ATOM 615 OD2 ASP A 43 17.129 10.400 -9.039 1.00 5.80 O ATOM 0 H ASP A 43 16.817 8.086 -4.899 1.00 1.51 H new ATOM 0 HA ASP A 43 16.694 10.950 -5.691 1.00 2.50 H new ATOM 0 HB2 ASP A 43 16.289 8.326 -7.051 1.00 3.55 H new ATOM 0 HB3 ASP A 43 15.341 9.707 -7.564 1.00 3.55 H new ATOM 620 N CYS A 44 13.991 9.130 -5.643 1.00 2.33 N ATOM 621 CA CYS A 44 12.582 8.884 -5.348 1.00 2.32 C ATOM 622 C CYS A 44 12.081 7.894 -6.398 1.00 1.88 C ATOM 623 O CYS A 44 11.008 8.051 -6.980 1.00 2.45 O ATOM 624 CB CYS A 44 11.773 10.179 -5.449 1.00 2.78 C ATOM 625 SG CYS A 44 10.077 10.099 -4.826 1.00 3.06 S ATOM 0 H CYS A 44 14.296 8.558 -6.430 1.00 2.33 H new ATOM 0 HA CYS A 44 12.467 8.496 -4.336 1.00 2.32 H new ATOM 0 HB2 CYS A 44 12.304 10.960 -4.904 1.00 2.78 H new ATOM 0 HB3 CYS A 44 11.742 10.485 -6.495 1.00 2.78 H new ATOM 630 N ASN A 45 12.928 6.922 -6.740 1.00 1.54 N ATOM 631 CA ASN A 45 12.696 6.049 -7.877 1.00 1.68 C ATOM 632 C ASN A 45 11.887 4.885 -7.346 1.00 1.61 C ATOM 633 O ASN A 45 12.234 4.308 -6.312 1.00 2.46 O ATOM 634 CB ASN A 45 14.017 5.586 -8.510 1.00 2.19 C ATOM 635 CG ASN A 45 14.815 6.742 -9.108 1.00 3.16 C ATOM 636 OD1 ASN A 45 14.287 7.828 -9.345 1.00 4.04 O ATOM 637 ND2 ASN A 45 16.099 6.543 -9.357 1.00 3.72 N ATOM 0 H ASN A 45 13.791 6.723 -6.234 1.00 1.54 H new ATOM 0 HA ASN A 45 12.161 6.567 -8.673 1.00 1.68 H new ATOM 0 HB2 ASN A 45 14.622 5.084 -7.755 1.00 2.19 H new ATOM 0 HB3 ASN A 45 13.806 4.853 -9.289 1.00 2.19 H new ATOM 0 HD21 ASN A 45 16.665 7.295 -9.750 1.00 3.72 H new ATOM 0 HD22 ASN A 45 16.523 5.638 -9.155 1.00 3.72 H new ATOM 644 N LEU A 46 10.786 4.558 -8.016 1.00 1.42 N ATOM 645 CA LEU A 46 9.849 3.561 -7.541 1.00 1.55 C ATOM 646 C LEU A 46 10.424 2.180 -7.834 1.00 1.78 C ATOM 647 O LEU A 46 9.934 1.466 -8.706 1.00 2.05 O ATOM 648 CB LEU A 46 8.486 3.764 -8.213 1.00 1.76 C ATOM 649 CG LEU A 46 7.855 5.136 -7.948 1.00 1.45 C ATOM 650 CD1 LEU A 46 6.567 5.225 -8.770 1.00 1.80 C ATOM 651 CD2 LEU A 46 7.559 5.341 -6.461 1.00 1.77 C ATOM 0 H LEU A 46 10.523 4.982 -8.906 1.00 1.42 H new ATOM 0 HA LEU A 46 9.697 3.657 -6.466 1.00 1.55 H new ATOM 0 HB2 LEU A 46 8.600 3.630 -9.289 1.00 1.76 H new ATOM 0 HB3 LEU A 46 7.803 2.989 -7.866 1.00 1.76 H new ATOM 0 HG LEU A 46 8.552 5.921 -8.241 1.00 1.45 H new ATOM 0 HD11 LEU A 46 6.094 6.193 -8.602 1.00 1.80 H new ATOM 0 HD12 LEU A 46 6.803 5.115 -9.829 1.00 1.80 H new ATOM 0 HD13 LEU A 46 5.886 4.430 -8.466 1.00 1.80 H new ATOM 0 HD21 LEU A 46 7.113 6.324 -6.311 1.00 1.77 H new ATOM 0 HD22 LEU A 46 6.867 4.572 -6.118 1.00 1.77 H new ATOM 0 HD23 LEU A 46 8.487 5.273 -5.893 1.00 1.77 H new ATOM 718 N ALA A 51 8.117 -8.527 -7.099 1.00 1.69 N ATOM 719 CA ALA A 51 7.585 -9.847 -6.844 1.00 1.68 C ATOM 720 C ALA A 51 6.742 -9.693 -5.584 1.00 1.42 C ATOM 721 O ALA A 51 7.178 -10.050 -4.494 1.00 2.42 O ATOM 722 CB ALA A 51 8.718 -10.864 -6.685 1.00 2.63 C ATOM 0 HA ALA A 51 6.980 -10.228 -7.667 1.00 1.68 H new ATOM 0 HB1 ALA A 51 8.297 -11.851 -6.494 1.00 2.63 H new ATOM 0 HB2 ALA A 51 9.311 -10.894 -7.599 1.00 2.63 H new ATOM 0 HB3 ALA A 51 9.354 -10.573 -5.849 1.00 2.63 H new ATOM 728 N GLY A 52 5.545 -9.137 -5.763 1.00 1.19 N ATOM 729 CA GLY A 52 4.563 -8.938 -4.711 1.00 1.01 C ATOM 730 C GLY A 52 4.554 -7.510 -4.180 1.00 0.90 C ATOM 731 O GLY A 52 4.404 -7.297 -2.977 1.00 1.42 O ATOM 0 H GLY A 52 5.227 -8.804 -6.673 1.00 1.19 H new ATOM 0 HA2 GLY A 52 3.572 -9.186 -5.092 1.00 1.01 H new ATOM 0 HA3 GLY A 52 4.770 -9.625 -3.891 1.00 1.01 H new ATOM 735 N GLU A 53 4.675 -6.524 -5.076 1.00 1.01 N ATOM 736 CA GLU A 53 4.719 -5.127 -4.731 1.00 1.01 C ATOM 737 C GLU A 53 3.858 -4.263 -5.646 1.00 0.97 C ATOM 738 O GLU A 53 3.536 -4.615 -6.782 1.00 1.17 O ATOM 739 CB GLU A 53 6.167 -4.663 -4.878 1.00 1.28 C ATOM 740 CG GLU A 53 7.020 -5.153 -3.710 1.00 1.80 C ATOM 741 CD GLU A 53 7.594 -6.536 -3.902 1.00 3.25 C ATOM 742 OE1 GLU A 53 8.121 -6.783 -5.010 1.00 4.32 O ATOM 743 OE2 GLU A 53 7.616 -7.269 -2.898 1.00 3.98 O ATOM 0 H GLU A 53 4.745 -6.695 -6.079 1.00 1.01 H new ATOM 0 HA GLU A 53 4.337 -5.019 -3.716 1.00 1.01 H new ATOM 0 HB2 GLU A 53 6.579 -5.036 -5.816 1.00 1.28 H new ATOM 0 HB3 GLU A 53 6.201 -3.575 -4.926 1.00 1.28 H new ATOM 0 HG2 GLU A 53 7.838 -4.451 -3.552 1.00 1.80 H new ATOM 0 HG3 GLU A 53 6.414 -5.145 -2.804 1.00 1.80 H new ATOM 750 N ASN A 54 3.575 -3.071 -5.134 1.00 0.84 N ATOM 751 CA ASN A 54 3.173 -1.871 -5.846 1.00 0.80 C ATOM 752 C ASN A 54 3.831 -0.732 -5.070 1.00 0.72 C ATOM 753 O ASN A 54 4.303 -0.933 -3.946 1.00 1.21 O ATOM 754 CB ASN A 54 1.651 -1.700 -5.956 1.00 1.02 C ATOM 755 CG ASN A 54 0.937 -1.756 -4.613 1.00 1.25 C ATOM 756 OD1 ASN A 54 1.388 -1.183 -3.632 1.00 2.84 O ATOM 757 ND2 ASN A 54 -0.183 -2.465 -4.555 1.00 1.35 N ATOM 0 H ASN A 54 3.626 -2.909 -4.128 1.00 0.84 H new ATOM 0 HA ASN A 54 3.492 -1.906 -6.888 1.00 0.80 H new ATOM 0 HB2 ASN A 54 1.434 -0.745 -6.435 1.00 1.02 H new ATOM 0 HB3 ASN A 54 1.251 -2.480 -6.604 1.00 1.02 H new ATOM 0 HD21 ASN A 54 -0.692 -2.543 -3.675 1.00 1.35 H new ATOM 0 HD22 ASN A 54 -0.535 -2.932 -5.391 1.00 1.35 H new ATOM 764 N LEU A 55 3.947 0.434 -5.694 1.00 0.42 N ATOM 765 CA LEU A 55 4.498 1.630 -5.086 1.00 0.38 C ATOM 766 C LEU A 55 3.723 2.806 -5.680 1.00 0.39 C ATOM 767 O LEU A 55 2.999 2.632 -6.664 1.00 0.47 O ATOM 768 CB LEU A 55 5.996 1.769 -5.420 1.00 0.62 C ATOM 769 CG LEU A 55 6.933 0.608 -5.024 1.00 0.81 C ATOM 770 CD1 LEU A 55 8.269 0.753 -5.754 1.00 0.94 C ATOM 771 CD2 LEU A 55 7.248 0.590 -3.526 1.00 0.90 C ATOM 0 H LEU A 55 3.652 0.573 -6.660 1.00 0.42 H new ATOM 0 HA LEU A 55 4.408 1.593 -4.000 1.00 0.38 H new ATOM 0 HB2 LEU A 55 6.087 1.920 -6.496 1.00 0.62 H new ATOM 0 HB3 LEU A 55 6.364 2.675 -4.939 1.00 0.62 H new ATOM 0 HG LEU A 55 6.413 -0.311 -5.293 1.00 0.81 H new ATOM 0 HD11 LEU A 55 8.928 -0.068 -5.472 1.00 0.94 H new ATOM 0 HD12 LEU A 55 8.100 0.730 -6.831 1.00 0.94 H new ATOM 0 HD13 LEU A 55 8.732 1.701 -5.480 1.00 0.94 H new ATOM 0 HD21 LEU A 55 7.910 -0.247 -3.304 1.00 0.90 H new ATOM 0 HD22 LEU A 55 7.736 1.524 -3.245 1.00 0.90 H new ATOM 0 HD23 LEU A 55 6.322 0.480 -2.961 1.00 0.90 H new ATOM 783 N ALA A 56 3.896 3.992 -5.111 1.00 0.40 N ATOM 784 CA ALA A 56 3.382 5.252 -5.610 1.00 0.41 C ATOM 785 C ALA A 56 4.277 6.356 -5.057 1.00 0.43 C ATOM 786 O ALA A 56 5.098 6.114 -4.173 1.00 0.67 O ATOM 787 CB ALA A 56 1.937 5.449 -5.143 1.00 0.47 C ATOM 0 H ALA A 56 4.426 4.102 -4.246 1.00 0.40 H new ATOM 0 HA ALA A 56 3.384 5.270 -6.700 1.00 0.41 H new ATOM 0 HB1 ALA A 56 1.558 6.398 -5.522 1.00 0.47 H new ATOM 0 HB2 ALA A 56 1.318 4.635 -5.520 1.00 0.47 H new ATOM 0 HB3 ALA A 56 1.904 5.455 -4.054 1.00 0.47 H new ATOM 793 N LYS A 57 4.112 7.572 -5.555 1.00 0.77 N ATOM 794 CA LYS A 57 4.729 8.749 -4.977 1.00 0.97 C ATOM 795 C LYS A 57 3.906 9.972 -5.357 1.00 0.85 C ATOM 796 O LYS A 57 3.037 9.873 -6.226 1.00 1.11 O ATOM 797 CB LYS A 57 6.185 8.884 -5.445 1.00 1.47 C ATOM 798 CG LYS A 57 6.315 8.874 -6.973 1.00 1.70 C ATOM 799 CD LYS A 57 7.796 9.049 -7.328 1.00 2.68 C ATOM 800 CE LYS A 57 8.111 9.061 -8.829 1.00 2.75 C ATOM 801 NZ LYS A 57 7.154 9.857 -9.622 1.00 2.89 N ATOM 0 H LYS A 57 3.541 7.768 -6.378 1.00 0.77 H new ATOM 0 HA LYS A 57 4.750 8.659 -3.891 1.00 0.97 H new ATOM 0 HB2 LYS A 57 6.604 9.811 -5.054 1.00 1.47 H new ATOM 0 HB3 LYS A 57 6.774 8.067 -5.028 1.00 1.47 H new ATOM 0 HG2 LYS A 57 5.934 7.938 -7.381 1.00 1.70 H new ATOM 0 HG3 LYS A 57 5.722 9.677 -7.410 1.00 1.70 H new ATOM 0 HD2 LYS A 57 8.150 9.983 -6.891 1.00 2.68 H new ATOM 0 HD3 LYS A 57 8.363 8.244 -6.861 1.00 2.68 H new ATOM 0 HE2 LYS A 57 9.115 9.458 -8.979 1.00 2.75 H new ATOM 0 HE3 LYS A 57 8.115 8.036 -9.200 1.00 2.75 H new ATOM 0 HZ1 LYS A 57 7.413 9.810 -10.628 1.00 2.89 H new ATOM 0 HZ2 LYS A 57 6.195 9.476 -9.493 1.00 2.89 H new ATOM 0 HZ3 LYS A 57 7.179 10.847 -9.304 1.00 2.89 H new ATOM 815 N GLY A 58 4.197 11.109 -4.734 1.00 0.83 N ATOM 816 CA GLY A 58 3.617 12.385 -5.110 1.00 1.08 C ATOM 817 C GLY A 58 4.417 13.518 -4.489 1.00 1.07 C ATOM 818 O GLY A 58 5.376 13.264 -3.762 1.00 2.11 O ATOM 0 H GLY A 58 4.846 11.167 -3.950 1.00 0.83 H new ATOM 0 HA2 GLY A 58 3.609 12.485 -6.195 1.00 1.08 H new ATOM 0 HA3 GLY A 58 2.580 12.435 -4.778 1.00 1.08 H new ATOM 822 N GLY A 59 4.073 14.760 -4.821 1.00 1.38 N ATOM 823 CA GLY A 59 4.893 15.913 -4.505 1.00 1.55 C ATOM 824 C GLY A 59 4.729 16.295 -3.044 1.00 1.69 C ATOM 825 O GLY A 59 5.687 16.290 -2.274 1.00 2.97 O ATOM 0 H GLY A 59 3.213 14.990 -5.319 1.00 1.38 H new ATOM 0 HA2 GLY A 59 5.940 15.691 -4.714 1.00 1.55 H new ATOM 0 HA3 GLY A 59 4.612 16.753 -5.141 1.00 1.55 H new ATOM 829 N GLY A 60 3.513 16.678 -2.670 1.00 1.22 N ATOM 830 CA GLY A 60 3.179 16.961 -1.288 1.00 1.79 C ATOM 831 C GLY A 60 3.142 15.663 -0.489 1.00 2.21 C ATOM 832 O GLY A 60 3.348 14.574 -1.029 1.00 2.79 O ATOM 0 H GLY A 60 2.735 16.799 -3.319 1.00 1.22 H new ATOM 0 HA2 GLY A 60 3.914 17.642 -0.859 1.00 1.79 H new ATOM 0 HA3 GLY A 60 2.212 17.460 -1.233 1.00 1.79 H new ATOM 836 N ASP A 61 2.844 15.785 0.801 1.00 2.81 N ATOM 837 CA ASP A 61 2.581 14.699 1.728 1.00 3.27 C ATOM 838 C ASP A 61 1.305 13.971 1.311 1.00 2.43 C ATOM 839 O ASP A 61 0.244 14.100 1.912 1.00 2.54 O ATOM 840 CB ASP A 61 2.551 15.228 3.168 1.00 4.65 C ATOM 841 CG ASP A 61 1.603 16.385 3.422 1.00 5.18 C ATOM 842 OD1 ASP A 61 1.325 17.165 2.490 1.00 5.07 O ATOM 843 OD2 ASP A 61 1.266 16.600 4.606 1.00 6.32 O ATOM 0 H ASP A 61 2.777 16.699 1.249 1.00 2.81 H new ATOM 0 HA ASP A 61 3.385 13.964 1.696 1.00 3.27 H new ATOM 0 HB2 ASP A 61 2.280 14.407 3.832 1.00 4.65 H new ATOM 0 HB3 ASP A 61 3.559 15.540 3.442 1.00 4.65 H new ATOM 848 N PHE A 62 1.456 13.175 0.256 1.00 1.80 N ATOM 849 CA PHE A 62 0.419 12.611 -0.592 1.00 1.09 C ATOM 850 C PHE A 62 -0.285 11.415 0.073 1.00 0.70 C ATOM 851 O PHE A 62 -0.423 10.340 -0.500 1.00 1.82 O ATOM 852 CB PHE A 62 1.096 12.306 -1.945 1.00 0.87 C ATOM 853 CG PHE A 62 0.290 11.517 -2.962 1.00 0.87 C ATOM 854 CD1 PHE A 62 -1.023 11.906 -3.287 1.00 2.64 C ATOM 855 CD2 PHE A 62 0.823 10.336 -3.514 1.00 1.77 C ATOM 856 CE1 PHE A 62 -1.808 11.099 -4.128 1.00 3.05 C ATOM 857 CE2 PHE A 62 0.038 9.532 -4.355 1.00 1.58 C ATOM 858 CZ PHE A 62 -1.291 9.893 -4.632 1.00 1.56 C ATOM 0 H PHE A 62 2.385 12.886 -0.050 1.00 1.80 H new ATOM 0 HA PHE A 62 -0.404 13.306 -0.757 1.00 1.09 H new ATOM 0 HB2 PHE A 62 1.381 13.254 -2.402 1.00 0.87 H new ATOM 0 HB3 PHE A 62 2.017 11.759 -1.746 1.00 0.87 H new ATOM 0 HD1 PHE A 62 -1.427 12.825 -2.890 1.00 2.64 H new ATOM 0 HD2 PHE A 62 1.839 10.048 -3.289 1.00 1.77 H new ATOM 0 HE1 PHE A 62 -2.810 11.406 -4.388 1.00 3.05 H new ATOM 0 HE2 PHE A 62 0.456 8.636 -4.789 1.00 1.58 H new ATOM 0 HZ PHE A 62 -1.914 9.245 -5.231 1.00 1.56 H new ATOM 868 N THR A 63 -0.805 11.605 1.283 1.00 1.48 N ATOM 869 CA THR A 63 -1.703 10.664 1.931 1.00 0.96 C ATOM 870 C THR A 63 -1.149 9.235 1.974 1.00 1.48 C ATOM 871 O THR A 63 -0.126 8.975 2.604 1.00 3.43 O ATOM 872 CB THR A 63 -3.131 10.820 1.371 1.00 0.72 C ATOM 873 OG1 THR A 63 -3.270 10.276 0.070 1.00 1.36 O ATOM 874 CG2 THR A 63 -3.582 12.281 1.368 1.00 1.17 C ATOM 0 H THR A 63 -0.608 12.432 1.847 1.00 1.48 H new ATOM 0 HA THR A 63 -1.775 10.912 2.990 1.00 0.96 H new ATOM 0 HB THR A 63 -3.774 10.252 2.043 1.00 0.72 H new ATOM 0 HG1 THR A 63 -2.385 10.051 -0.287 1.00 1.36 H new ATOM 0 HG21 THR A 63 -4.593 12.349 0.966 1.00 1.17 H new ATOM 0 HG22 THR A 63 -3.570 12.668 2.387 1.00 1.17 H new ATOM 0 HG23 THR A 63 -2.905 12.869 0.749 1.00 1.17 H new ATOM 882 N GLY A 64 -1.846 8.323 1.323 1.00 0.68 N ATOM 883 CA GLY A 64 -1.583 6.906 1.169 1.00 0.61 C ATOM 884 C GLY A 64 -2.865 6.305 0.606 1.00 0.50 C ATOM 885 O GLY A 64 -2.852 5.584 -0.389 1.00 0.57 O ATOM 0 H GLY A 64 -2.703 8.587 0.837 1.00 0.68 H new ATOM 0 HA2 GLY A 64 -0.743 6.735 0.496 1.00 0.61 H new ATOM 0 HA3 GLY A 64 -1.324 6.450 2.125 1.00 0.61 H new ATOM 889 N ARG A 65 -4.000 6.698 1.188 1.00 0.42 N ATOM 890 CA ARG A 65 -5.309 6.332 0.681 1.00 0.41 C ATOM 891 C ARG A 65 -5.437 6.731 -0.782 1.00 0.37 C ATOM 892 O ARG A 65 -5.846 5.907 -1.588 1.00 0.38 O ATOM 893 CB ARG A 65 -6.420 6.993 1.497 1.00 0.47 C ATOM 894 CG ARG A 65 -7.688 6.165 1.308 1.00 0.89 C ATOM 895 CD ARG A 65 -8.915 6.833 1.913 1.00 1.14 C ATOM 896 NE ARG A 65 -10.070 5.939 1.778 1.00 1.83 N ATOM 897 CZ ARG A 65 -10.658 5.259 2.772 1.00 2.74 C ATOM 898 NH1 ARG A 65 -10.130 5.251 3.997 1.00 3.77 N ATOM 899 NH2 ARG A 65 -11.774 4.579 2.525 1.00 3.41 N ATOM 0 H ARG A 65 -4.029 7.280 2.025 1.00 0.42 H new ATOM 0 HA ARG A 65 -5.413 5.251 0.770 1.00 0.41 H new ATOM 0 HB2 ARG A 65 -6.146 7.038 2.551 1.00 0.47 H new ATOM 0 HB3 ARG A 65 -6.580 8.019 1.165 1.00 0.47 H new ATOM 0 HG2 ARG A 65 -7.855 6.000 0.244 1.00 0.89 H new ATOM 0 HG3 ARG A 65 -7.550 5.185 1.764 1.00 0.89 H new ATOM 0 HD2 ARG A 65 -8.738 7.061 2.964 1.00 1.14 H new ATOM 0 HD3 ARG A 65 -9.113 7.780 1.410 1.00 1.14 H new ATOM 0 HE ARG A 65 -10.461 5.824 0.843 1.00 1.83 H new ATOM 0 HH11 ARG A 65 -9.270 5.766 4.185 1.00 3.77 H new ATOM 0 HH12 ARG A 65 -10.586 4.730 4.746 1.00 3.77 H new ATOM 0 HH21 ARG A 65 -12.174 4.579 1.587 1.00 3.41 H new ATOM 0 HH22 ARG A 65 -12.230 4.058 3.274 1.00 3.41 H new ATOM 913 N ALA A 66 -5.098 7.976 -1.129 1.00 0.40 N ATOM 914 CA ALA A 66 -5.233 8.445 -2.504 1.00 0.53 C ATOM 915 C ALA A 66 -4.417 7.565 -3.451 1.00 0.60 C ATOM 916 O ALA A 66 -4.839 7.304 -4.572 1.00 0.69 O ATOM 917 CB ALA A 66 -4.813 9.911 -2.620 1.00 0.66 C ATOM 0 H ALA A 66 -4.731 8.671 -0.479 1.00 0.40 H new ATOM 0 HA ALA A 66 -6.282 8.373 -2.792 1.00 0.53 H new ATOM 0 HB1 ALA A 66 -4.922 10.240 -3.654 1.00 0.66 H new ATOM 0 HB2 ALA A 66 -5.445 10.523 -1.976 1.00 0.66 H new ATOM 0 HB3 ALA A 66 -3.772 10.017 -2.313 1.00 0.66 H new ATOM 923 N ALA A 67 -3.259 7.075 -3.004 1.00 0.63 N ATOM 924 CA ALA A 67 -2.479 6.141 -3.795 1.00 0.75 C ATOM 925 C ALA A 67 -3.297 4.873 -4.047 1.00 0.65 C ATOM 926 O ALA A 67 -3.514 4.503 -5.197 1.00 0.78 O ATOM 927 CB ALA A 67 -1.139 5.846 -3.120 1.00 0.87 C ATOM 0 H ALA A 67 -2.848 7.313 -2.101 1.00 0.63 H new ATOM 0 HA ALA A 67 -2.248 6.586 -4.763 1.00 0.75 H new ATOM 0 HB1 ALA A 67 -0.571 5.144 -3.730 1.00 0.87 H new ATOM 0 HB2 ALA A 67 -0.574 6.772 -3.012 1.00 0.87 H new ATOM 0 HB3 ALA A 67 -1.315 5.412 -2.136 1.00 0.87 H new ATOM 933 N VAL A 68 -3.786 4.205 -3.001 1.00 0.47 N ATOM 934 CA VAL A 68 -4.576 2.995 -3.224 1.00 0.37 C ATOM 935 C VAL A 68 -5.796 3.305 -4.093 1.00 0.43 C ATOM 936 O VAL A 68 -6.138 2.548 -4.993 1.00 0.56 O ATOM 937 CB VAL A 68 -4.974 2.279 -1.926 1.00 0.34 C ATOM 938 CG1 VAL A 68 -5.404 0.842 -2.258 1.00 0.42 C ATOM 939 CG2 VAL A 68 -3.813 2.192 -0.937 1.00 0.54 C ATOM 0 H VAL A 68 -3.656 4.469 -2.024 1.00 0.47 H new ATOM 0 HA VAL A 68 -3.934 2.295 -3.758 1.00 0.37 H new ATOM 0 HB VAL A 68 -5.782 2.854 -1.473 1.00 0.34 H new ATOM 0 HG11 VAL A 68 -5.688 0.326 -1.341 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -6.254 0.865 -2.940 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -4.575 0.314 -2.729 1.00 0.42 H new ATOM 0 HG21 VAL A 68 -4.142 1.678 -0.034 1.00 0.54 H new ATOM 0 HG22 VAL A 68 -2.990 1.639 -1.390 1.00 0.54 H new ATOM 0 HG23 VAL A 68 -3.478 3.197 -0.680 1.00 0.54 H new ATOM 949 N GLN A 69 -6.457 4.427 -3.851 1.00 0.45 N ATOM 950 CA GLN A 69 -7.573 4.857 -4.666 1.00 0.65 C ATOM 951 C GLN A 69 -7.141 5.003 -6.128 1.00 0.81 C ATOM 952 O GLN A 69 -7.845 4.501 -6.996 1.00 0.95 O ATOM 953 CB GLN A 69 -8.232 6.094 -4.036 1.00 0.77 C ATOM 954 CG GLN A 69 -9.369 5.626 -3.123 1.00 0.86 C ATOM 955 CD GLN A 69 -9.844 6.647 -2.096 1.00 1.73 C ATOM 956 OE1 GLN A 69 -10.250 6.274 -0.997 1.00 3.19 O ATOM 957 NE2 GLN A 69 -9.804 7.933 -2.413 1.00 2.29 N ATOM 0 H GLN A 69 -6.232 5.061 -3.084 1.00 0.45 H new ATOM 0 HA GLN A 69 -8.357 4.100 -4.689 1.00 0.65 H new ATOM 0 HB2 GLN A 69 -7.499 6.665 -3.466 1.00 0.77 H new ATOM 0 HB3 GLN A 69 -8.617 6.755 -4.812 1.00 0.77 H new ATOM 0 HG2 GLN A 69 -10.217 5.339 -3.745 1.00 0.86 H new ATOM 0 HG3 GLN A 69 -9.043 4.730 -2.595 1.00 0.86 H new ATOM 0 HE21 GLN A 69 -9.464 8.222 -3.330 1.00 2.29 H new ATOM 0 HE22 GLN A 69 -10.113 8.634 -1.740 1.00 2.29 H new ATOM 966 N LEU A 70 -5.958 5.558 -6.413 1.00 0.91 N ATOM 967 CA LEU A 70 -5.463 5.685 -7.779 1.00 1.10 C ATOM 968 C LEU A 70 -5.305 4.285 -8.381 1.00 1.04 C ATOM 969 O LEU A 70 -5.528 4.065 -9.573 1.00 1.07 O ATOM 970 CB LEU A 70 -4.138 6.467 -7.755 1.00 1.20 C ATOM 971 CG LEU A 70 -3.316 6.415 -9.050 1.00 1.43 C ATOM 972 CD1 LEU A 70 -4.061 7.143 -10.168 1.00 2.68 C ATOM 973 CD2 LEU A 70 -1.962 7.094 -8.819 1.00 1.59 C ATOM 0 H LEU A 70 -5.324 5.928 -5.705 1.00 0.91 H new ATOM 0 HA LEU A 70 -6.163 6.237 -8.406 1.00 1.10 H new ATOM 0 HB2 LEU A 70 -4.356 7.510 -7.525 1.00 1.20 H new ATOM 0 HB3 LEU A 70 -3.524 6.083 -6.940 1.00 1.20 H new ATOM 0 HG LEU A 70 -3.164 5.375 -9.337 1.00 1.43 H new ATOM 0 HD11 LEU A 70 -3.472 7.102 -11.084 1.00 2.68 H new ATOM 0 HD12 LEU A 70 -5.025 6.663 -10.335 1.00 2.68 H new ATOM 0 HD13 LEU A 70 -4.218 8.183 -9.883 1.00 2.68 H new ATOM 0 HD21 LEU A 70 -1.376 7.059 -9.737 1.00 1.59 H new ATOM 0 HD22 LEU A 70 -2.121 8.133 -8.530 1.00 1.59 H new ATOM 0 HD23 LEU A 70 -1.425 6.574 -8.026 1.00 1.59 H new ATOM 985 N TRP A 71 -4.897 3.321 -7.558 1.00 0.94 N ATOM 986 CA TRP A 71 -4.783 1.932 -7.968 1.00 0.92 C ATOM 987 C TRP A 71 -6.173 1.372 -8.292 1.00 0.94 C ATOM 988 O TRP A 71 -6.347 0.688 -9.298 1.00 1.08 O ATOM 989 CB TRP A 71 -4.052 1.118 -6.887 1.00 0.83 C ATOM 990 CG TRP A 71 -2.719 1.654 -6.420 1.00 0.79 C ATOM 991 CD1 TRP A 71 -2.054 2.704 -6.955 1.00 0.94 C ATOM 992 CD2 TRP A 71 -1.983 1.317 -5.201 1.00 0.67 C ATOM 993 NE1 TRP A 71 -1.070 3.119 -6.088 1.00 0.86 N ATOM 994 CE2 TRP A 71 -0.975 2.303 -4.982 1.00 0.72 C ATOM 995 CE3 TRP A 71 -2.121 0.322 -4.214 1.00 0.63 C ATOM 996 CZ2 TRP A 71 -0.187 2.324 -3.817 1.00 0.69 C ATOM 997 CZ3 TRP A 71 -1.319 0.315 -3.059 1.00 0.66 C ATOM 998 CH2 TRP A 71 -0.379 1.334 -2.846 1.00 0.68 C ATOM 0 H TRP A 71 -4.636 3.487 -6.586 1.00 0.94 H new ATOM 0 HA TRP A 71 -4.185 1.860 -8.876 1.00 0.92 H new ATOM 0 HB2 TRP A 71 -4.708 1.036 -6.021 1.00 0.83 H new ATOM 0 HB3 TRP A 71 -3.898 0.108 -7.267 1.00 0.83 H new ATOM 0 HD1 TRP A 71 -2.264 3.149 -7.917 1.00 0.94 H new ATOM 0 HE1 TRP A 71 -0.480 3.936 -6.246 1.00 0.86 H new ATOM 0 HE3 TRP A 71 -2.860 -0.454 -4.347 1.00 0.63 H new ATOM 0 HZ2 TRP A 71 0.557 3.094 -3.673 1.00 0.69 H new ATOM 0 HZ3 TRP A 71 -1.427 -0.478 -2.333 1.00 0.66 H new ATOM 0 HH2 TRP A 71 0.197 1.355 -1.933 1.00 0.68 H new ATOM 1009 N VAL A 72 -7.172 1.662 -7.460 1.00 0.86 N ATOM 1010 CA VAL A 72 -8.544 1.264 -7.740 1.00 0.90 C ATOM 1011 C VAL A 72 -9.078 1.994 -8.978 1.00 0.92 C ATOM 1012 O VAL A 72 -9.922 1.442 -9.679 1.00 0.87 O ATOM 1013 CB VAL A 72 -9.432 1.366 -6.486 1.00 0.90 C ATOM 1014 CG1 VAL A 72 -10.868 0.895 -6.760 1.00 0.88 C ATOM 1015 CG2 VAL A 72 -8.876 0.446 -5.389 1.00 0.89 C ATOM 0 H VAL A 72 -7.053 2.173 -6.585 1.00 0.86 H new ATOM 0 HA VAL A 72 -8.567 0.205 -7.998 1.00 0.90 H new ATOM 0 HB VAL A 72 -9.436 2.414 -6.186 1.00 0.90 H new ATOM 0 HG11 VAL A 72 -11.460 0.984 -5.849 1.00 0.88 H new ATOM 0 HG12 VAL A 72 -11.310 1.512 -7.542 1.00 0.88 H new ATOM 0 HG13 VAL A 72 -10.854 -0.146 -7.084 1.00 0.88 H new ATOM 0 HG21 VAL A 72 -9.504 0.518 -4.501 1.00 0.89 H new ATOM 0 HG22 VAL A 72 -8.869 -0.584 -5.747 1.00 0.89 H new ATOM 0 HG23 VAL A 72 -7.859 0.750 -5.140 1.00 0.89 H new ATOM 1025 N SER A 73 -8.555 3.171 -9.330 1.00 1.11 N ATOM 1026 CA SER A 73 -8.894 3.855 -10.573 1.00 1.11 C ATOM 1027 C SER A 73 -8.456 3.094 -11.836 1.00 0.68 C ATOM 1028 O SER A 73 -8.725 3.553 -12.947 1.00 0.66 O ATOM 1029 CB SER A 73 -8.368 5.295 -10.549 1.00 1.61 C ATOM 1030 OG SER A 73 -8.667 5.899 -9.310 1.00 2.81 O ATOM 0 H SER A 73 -7.881 3.676 -8.755 1.00 1.11 H new ATOM 0 HA SER A 73 -9.982 3.886 -10.632 1.00 1.11 H new ATOM 0 HB2 SER A 73 -7.291 5.300 -10.714 1.00 1.61 H new ATOM 0 HB3 SER A 73 -8.817 5.868 -11.360 1.00 1.61 H new ATOM 0 HG SER A 73 -8.205 5.418 -8.592 1.00 2.81 H new ATOM 1036 N GLU A 74 -7.845 1.910 -11.721 1.00 0.76 N ATOM 1037 CA GLU A 74 -7.809 0.952 -12.823 1.00 0.72 C ATOM 1038 C GLU A 74 -9.197 0.329 -13.077 1.00 0.63 C ATOM 1039 O GLU A 74 -9.328 -0.506 -13.966 1.00 0.85 O ATOM 1040 CB GLU A 74 -6.733 -0.106 -12.560 1.00 0.94 C ATOM 1041 CG GLU A 74 -5.329 0.488 -12.340 1.00 1.50 C ATOM 1042 CD GLU A 74 -4.736 1.089 -13.595 1.00 2.17 C ATOM 1043 OE1 GLU A 74 -4.259 0.340 -14.468 1.00 2.61 O ATOM 1044 OE2 GLU A 74 -4.716 2.336 -13.666 1.00 3.39 O ATOM 0 H GLU A 74 -7.370 1.595 -10.875 1.00 0.76 H new ATOM 0 HA GLU A 74 -7.542 1.480 -13.739 1.00 0.72 H new ATOM 0 HB2 GLU A 74 -7.014 -0.689 -11.683 1.00 0.94 H new ATOM 0 HB3 GLU A 74 -6.699 -0.796 -13.403 1.00 0.94 H new ATOM 0 HG2 GLU A 74 -5.382 1.255 -11.567 1.00 1.50 H new ATOM 0 HG3 GLU A 74 -4.665 -0.293 -11.969 1.00 1.50 H new ATOM 1051 N ARG A 75 -10.229 0.752 -12.338 1.00 0.65 N ATOM 1052 CA ARG A 75 -11.623 0.345 -12.474 1.00 0.74 C ATOM 1053 C ARG A 75 -12.046 0.054 -13.922 1.00 0.84 C ATOM 1054 O ARG A 75 -12.535 -1.045 -14.156 1.00 0.98 O ATOM 1055 CB ARG A 75 -12.561 1.357 -11.789 1.00 0.87 C ATOM 1056 CG ARG A 75 -13.916 0.723 -11.428 1.00 1.08 C ATOM 1057 CD ARG A 75 -14.031 0.399 -9.926 1.00 1.29 C ATOM 1058 NE ARG A 75 -14.263 1.592 -9.087 1.00 1.89 N ATOM 1059 CZ ARG A 75 -15.407 2.298 -9.052 1.00 2.34 C ATOM 1060 NH1 ARG A 75 -16.424 1.934 -9.834 1.00 2.84 N ATOM 1061 NH2 ARG A 75 -15.525 3.349 -8.244 1.00 3.70 N ATOM 0 H ARG A 75 -10.100 1.428 -11.585 1.00 0.65 H new ATOM 0 HA ARG A 75 -11.714 -0.610 -11.956 1.00 0.74 H new ATOM 0 HB2 ARG A 75 -12.086 1.740 -10.886 1.00 0.87 H new ATOM 0 HB3 ARG A 75 -12.722 2.209 -12.450 1.00 0.87 H new ATOM 0 HG2 ARG A 75 -14.719 1.402 -11.713 1.00 1.08 H new ATOM 0 HG3 ARG A 75 -14.052 -0.191 -12.006 1.00 1.08 H new ATOM 0 HD2 ARG A 75 -14.848 -0.307 -9.775 1.00 1.29 H new ATOM 0 HD3 ARG A 75 -13.117 -0.096 -9.597 1.00 1.29 H new ATOM 0 HE ARG A 75 -13.498 1.904 -8.489 1.00 1.89 H new ATOM 0 HH11 ARG A 75 -16.330 1.127 -10.451 1.00 2.84 H new ATOM 0 HH12 ARG A 75 -17.296 2.462 -9.815 1.00 2.84 H new ATOM 0 HH21 ARG A 75 -14.745 3.623 -7.647 1.00 3.70 H new ATOM 0 HH22 ARG A 75 -16.395 3.880 -8.222 1.00 3.70 H new ATOM 1075 N PRO A 76 -11.860 0.964 -14.899 1.00 0.93 N ATOM 1076 CA PRO A 76 -12.132 0.676 -16.300 1.00 1.18 C ATOM 1077 C PRO A 76 -11.656 -0.712 -16.747 1.00 1.12 C ATOM 1078 O PRO A 76 -12.438 -1.454 -17.347 1.00 1.64 O ATOM 1079 CB PRO A 76 -11.489 1.813 -17.112 1.00 1.65 C ATOM 1080 CG PRO A 76 -10.674 2.617 -16.096 1.00 1.40 C ATOM 1081 CD PRO A 76 -11.400 2.338 -14.784 1.00 0.99 C ATOM 0 HA PRO A 76 -13.208 0.638 -16.468 1.00 1.18 H new ATOM 0 HB2 PRO A 76 -10.853 1.420 -17.905 1.00 1.65 H new ATOM 0 HB3 PRO A 76 -12.247 2.434 -17.589 1.00 1.65 H new ATOM 0 HG2 PRO A 76 -9.635 2.289 -16.061 1.00 1.40 H new ATOM 0 HG3 PRO A 76 -10.665 3.680 -16.335 1.00 1.40 H new ATOM 0 HD2 PRO A 76 -10.735 2.462 -13.930 1.00 0.99 H new ATOM 0 HD3 PRO A 76 -12.235 3.024 -14.640 1.00 0.99 H new ATOM 1089 N SER A 77 -10.397 -1.075 -16.487 1.00 0.98 N ATOM 1090 CA SER A 77 -9.890 -2.372 -16.893 1.00 1.13 C ATOM 1091 C SER A 77 -10.226 -3.477 -15.890 1.00 1.14 C ATOM 1092 O SER A 77 -10.098 -4.652 -16.213 1.00 1.41 O ATOM 1093 CB SER A 77 -8.379 -2.334 -17.162 1.00 1.48 C ATOM 1094 OG SER A 77 -7.728 -1.175 -16.658 1.00 1.59 O ATOM 0 H SER A 77 -9.720 -0.488 -16.000 1.00 0.98 H new ATOM 0 HA SER A 77 -10.399 -2.613 -17.826 1.00 1.13 H new ATOM 0 HB2 SER A 77 -7.920 -3.217 -16.718 1.00 1.48 H new ATOM 0 HB3 SER A 77 -8.211 -2.393 -18.237 1.00 1.48 H new ATOM 0 HG SER A 77 -6.771 -1.221 -16.865 1.00 1.59 H new ATOM 1100 N TYR A 78 -10.651 -3.147 -14.677 1.00 1.10 N ATOM 1101 CA TYR A 78 -10.931 -4.162 -13.678 1.00 1.28 C ATOM 1102 C TYR A 78 -12.349 -4.652 -13.960 1.00 1.20 C ATOM 1103 O TYR A 78 -13.321 -3.902 -13.872 1.00 1.39 O ATOM 1104 CB TYR A 78 -10.663 -3.605 -12.265 1.00 1.56 C ATOM 1105 CG TYR A 78 -11.714 -3.820 -11.188 1.00 1.32 C ATOM 1106 CD1 TYR A 78 -12.389 -5.048 -11.045 1.00 1.80 C ATOM 1107 CD2 TYR A 78 -11.974 -2.788 -10.268 1.00 2.32 C ATOM 1108 CE1 TYR A 78 -13.511 -5.130 -10.206 1.00 2.17 C ATOM 1109 CE2 TYR A 78 -13.004 -2.928 -9.325 1.00 2.45 C ATOM 1110 CZ TYR A 78 -13.833 -4.057 -9.360 1.00 1.96 C ATOM 1111 OH TYR A 78 -14.898 -4.133 -8.521 1.00 2.55 O ATOM 0 H TYR A 78 -10.808 -2.189 -14.365 1.00 1.10 H new ATOM 0 HA TYR A 78 -10.272 -5.029 -13.729 1.00 1.28 H new ATOM 0 HB2 TYR A 78 -9.730 -4.041 -11.909 1.00 1.56 H new ATOM 0 HB3 TYR A 78 -10.499 -2.531 -12.358 1.00 1.56 H new ATOM 0 HD1 TYR A 78 -12.045 -5.922 -11.578 1.00 1.80 H new ATOM 0 HD2 TYR A 78 -11.380 -1.886 -10.287 1.00 2.32 H new ATOM 0 HE1 TYR A 78 -14.126 -6.018 -10.211 1.00 2.17 H new ATOM 0 HE2 TYR A 78 -13.157 -2.167 -8.574 1.00 2.45 H new ATOM 0 HH TYR A 78 -14.907 -3.350 -7.932 1.00 2.55 H new ATOM 1121 N ASN A 79 -12.470 -5.916 -14.368 1.00 1.05 N ATOM 1122 CA ASN A 79 -13.755 -6.465 -14.745 1.00 1.01 C ATOM 1123 C ASN A 79 -13.734 -7.967 -14.588 1.00 0.94 C ATOM 1124 O ASN A 79 -12.666 -8.558 -14.732 1.00 1.61 O ATOM 1125 CB ASN A 79 -14.063 -6.070 -16.186 1.00 1.21 C ATOM 1126 CG ASN A 79 -15.560 -5.915 -16.352 1.00 1.68 C ATOM 1127 OD1 ASN A 79 -16.192 -6.602 -17.143 1.00 1.71 O ATOM 1128 ND2 ASN A 79 -16.132 -4.965 -15.625 1.00 3.02 N ATOM 0 H ASN A 79 -11.691 -6.570 -14.443 1.00 1.05 H new ATOM 0 HA ASN A 79 -14.536 -6.067 -14.097 1.00 1.01 H new ATOM 0 HB2 ASN A 79 -13.559 -5.136 -16.435 1.00 1.21 H new ATOM 0 HB3 ASN A 79 -13.686 -6.829 -16.872 1.00 1.21 H new ATOM 0 HD21 ASN A 79 -17.132 -4.787 -15.715 1.00 3.02 H new ATOM 0 HD22 ASN A 79 -15.572 -4.413 -14.976 1.00 3.02 H new ATOM 1135 N TYR A 80 -14.871 -8.562 -14.234 1.00 1.02 N ATOM 1136 CA TYR A 80 -14.993 -9.935 -13.793 1.00 1.01 C ATOM 1137 C TYR A 80 -15.740 -10.692 -14.892 1.00 1.29 C ATOM 1138 O TYR A 80 -15.680 -10.298 -16.055 1.00 2.08 O ATOM 1139 CB TYR A 80 -15.718 -9.888 -12.436 1.00 1.06 C ATOM 1140 CG TYR A 80 -15.353 -10.842 -11.311 1.00 1.06 C ATOM 1141 CD1 TYR A 80 -14.262 -11.736 -11.365 1.00 1.99 C ATOM 1142 CD2 TYR A 80 -16.062 -10.696 -10.106 1.00 2.10 C ATOM 1143 CE1 TYR A 80 -13.862 -12.428 -10.208 1.00 2.19 C ATOM 1144 CE2 TYR A 80 -15.646 -11.366 -8.949 1.00 2.38 C ATOM 1145 CZ TYR A 80 -14.544 -12.229 -8.998 1.00 1.81 C ATOM 1146 OH TYR A 80 -14.118 -12.854 -7.865 1.00 2.39 O ATOM 0 H TYR A 80 -15.766 -8.073 -14.250 1.00 1.02 H new ATOM 0 HA TYR A 80 -14.049 -10.458 -13.640 1.00 1.01 H new ATOM 0 HB2 TYR A 80 -15.598 -8.877 -12.047 1.00 1.06 H new ATOM 0 HB3 TYR A 80 -16.780 -10.027 -12.638 1.00 1.06 H new ATOM 0 HD1 TYR A 80 -13.734 -11.889 -12.295 1.00 1.99 H new ATOM 0 HD2 TYR A 80 -16.935 -10.061 -10.072 1.00 2.10 H new ATOM 0 HE1 TYR A 80 -13.029 -13.114 -10.251 1.00 2.19 H new ATOM 0 HE2 TYR A 80 -16.175 -11.217 -8.019 1.00 2.38 H new ATOM 0 HH TYR A 80 -14.334 -12.301 -7.085 1.00 2.39 H new ATOM 1156 N ALA A 81 -16.357 -11.819 -14.557 1.00 1.93 N ATOM 1157 CA ALA A 81 -17.147 -12.717 -15.379 1.00 2.31 C ATOM 1158 C ALA A 81 -16.210 -13.665 -16.109 1.00 2.28 C ATOM 1159 O ALA A 81 -16.421 -14.871 -16.182 1.00 2.54 O ATOM 1160 CB ALA A 81 -18.107 -11.970 -16.288 1.00 2.72 C ATOM 0 H ALA A 81 -16.308 -12.159 -13.597 1.00 1.93 H new ATOM 0 HA ALA A 81 -17.800 -13.318 -14.746 1.00 2.31 H new ATOM 0 HB1 ALA A 81 -18.675 -12.685 -16.883 1.00 2.72 H new ATOM 0 HB2 ALA A 81 -18.792 -11.375 -15.684 1.00 2.72 H new ATOM 0 HB3 ALA A 81 -17.544 -11.313 -16.951 1.00 2.72 H new ATOM 1166 N THR A 82 -15.144 -13.083 -16.634 1.00 2.13 N ATOM 1167 CA THR A 82 -14.121 -13.713 -17.427 1.00 2.19 C ATOM 1168 C THR A 82 -12.844 -13.906 -16.594 1.00 1.94 C ATOM 1169 O THR A 82 -11.845 -14.404 -17.106 1.00 2.10 O ATOM 1170 CB THR A 82 -13.947 -12.761 -18.614 1.00 2.51 C ATOM 1171 OG1 THR A 82 -13.726 -11.451 -18.120 1.00 2.74 O ATOM 1172 CG2 THR A 82 -15.267 -12.715 -19.394 1.00 2.85 C ATOM 0 H THR A 82 -14.966 -12.087 -16.503 1.00 2.13 H new ATOM 0 HA THR A 82 -14.373 -14.717 -17.769 1.00 2.19 H new ATOM 0 HB THR A 82 -13.118 -13.098 -19.237 1.00 2.51 H new ATOM 0 HG1 THR A 82 -14.075 -10.797 -18.760 1.00 2.74 H new ATOM 0 HG21 THR A 82 -15.164 -12.041 -20.245 1.00 2.85 H new ATOM 0 HG22 THR A 82 -15.514 -13.715 -19.751 1.00 2.85 H new ATOM 0 HG23 THR A 82 -16.063 -12.356 -18.741 1.00 2.85 H new ATOM 1180 N ASN A 83 -12.879 -13.506 -15.313 1.00 1.77 N ATOM 1181 CA ASN A 83 -11.773 -13.571 -14.366 1.00 1.59 C ATOM 1182 C ASN A 83 -10.475 -13.055 -14.997 1.00 1.55 C ATOM 1183 O ASN A 83 -9.517 -13.808 -15.162 1.00 1.81 O ATOM 1184 CB ASN A 83 -11.632 -14.990 -13.789 1.00 1.72 C ATOM 1185 CG ASN A 83 -10.736 -15.022 -12.551 1.00 1.64 C ATOM 1186 OD1 ASN A 83 -9.514 -15.097 -12.655 1.00 2.09 O ATOM 1187 ND2 ASN A 83 -11.328 -14.983 -11.365 1.00 1.73 N ATOM 0 H ASN A 83 -13.723 -13.111 -14.897 1.00 1.77 H new ATOM 0 HA ASN A 83 -11.992 -12.910 -13.528 1.00 1.59 H new ATOM 0 HB2 ASN A 83 -12.618 -15.376 -13.532 1.00 1.72 H new ATOM 0 HB3 ASN A 83 -11.220 -15.651 -14.551 1.00 1.72 H new ATOM 0 HD21 ASN A 83 -10.767 -15.015 -10.514 1.00 1.73 H new ATOM 0 HD22 ASN A 83 -12.344 -14.921 -11.304 1.00 1.73 H new ATOM 1194 N GLN A 84 -10.415 -11.771 -15.360 1.00 1.45 N ATOM 1195 CA GLN A 84 -9.211 -11.169 -15.914 1.00 1.49 C ATOM 1196 C GLN A 84 -9.199 -9.668 -15.607 1.00 1.47 C ATOM 1197 O GLN A 84 -9.440 -9.285 -14.466 1.00 2.24 O ATOM 1198 CB GLN A 84 -8.996 -11.608 -17.377 1.00 1.71 C ATOM 1199 CG GLN A 84 -10.225 -11.522 -18.294 1.00 2.36 C ATOM 1200 CD GLN A 84 -10.498 -10.102 -18.754 1.00 3.87 C ATOM 1201 OE1 GLN A 84 -9.594 -9.449 -19.267 1.00 4.24 O ATOM 1202 NE2 GLN A 84 -11.695 -9.589 -18.521 1.00 5.52 N ATOM 0 H GLN A 84 -11.200 -11.125 -15.276 1.00 1.45 H new ATOM 0 HA GLN A 84 -8.310 -11.542 -15.427 1.00 1.49 H new ATOM 0 HB2 GLN A 84 -8.204 -10.995 -17.807 1.00 1.71 H new ATOM 0 HB3 GLN A 84 -8.638 -12.638 -17.378 1.00 1.71 H new ATOM 0 HG2 GLN A 84 -10.073 -12.161 -19.164 1.00 2.36 H new ATOM 0 HG3 GLN A 84 -11.098 -11.905 -17.766 1.00 2.36 H new ATOM 0 HE21 GLN A 84 -12.421 -10.163 -18.093 1.00 5.52 H new ATOM 0 HE22 GLN A 84 -11.892 -8.619 -18.770 1.00 5.52 H new ATOM 1211 N CYS A 85 -8.848 -8.805 -16.558 1.00 1.50 N ATOM 1212 CA CYS A 85 -8.673 -7.382 -16.271 1.00 1.48 C ATOM 1213 C CYS A 85 -8.634 -6.607 -17.588 1.00 1.44 C ATOM 1214 O CYS A 85 -7.664 -5.936 -17.924 1.00 2.59 O ATOM 1215 CB CYS A 85 -7.426 -7.167 -15.399 1.00 2.05 C ATOM 1216 SG CYS A 85 -7.657 -6.135 -13.929 1.00 2.79 S ATOM 0 H CYS A 85 -8.680 -9.064 -17.530 1.00 1.50 H new ATOM 0 HA CYS A 85 -9.515 -6.999 -15.695 1.00 1.48 H new ATOM 0 HB2 CYS A 85 -7.057 -8.142 -15.080 1.00 2.05 H new ATOM 0 HB3 CYS A 85 -6.648 -6.718 -16.016 1.00 2.05 H new ATOM 1221 N VAL A 86 -9.681 -6.807 -18.381 1.00 1.34 N ATOM 1222 CA VAL A 86 -9.967 -6.206 -19.690 1.00 1.18 C ATOM 1223 C VAL A 86 -8.685 -6.248 -20.528 1.00 1.44 C ATOM 1224 O VAL A 86 -8.040 -5.255 -20.855 1.00 1.63 O ATOM 1225 CB VAL A 86 -10.527 -4.803 -19.467 1.00 1.12 C ATOM 1226 CG1 VAL A 86 -10.419 -3.767 -20.589 1.00 1.39 C ATOM 1227 CG2 VAL A 86 -11.956 -4.853 -18.930 1.00 1.11 C ATOM 0 H VAL A 86 -10.421 -7.451 -18.104 1.00 1.34 H new ATOM 0 HA VAL A 86 -10.725 -6.755 -20.249 1.00 1.18 H new ATOM 0 HB VAL A 86 -9.827 -4.417 -18.726 1.00 1.12 H new ATOM 0 HG11 VAL A 86 -10.866 -2.828 -20.262 1.00 1.39 H new ATOM 0 HG12 VAL A 86 -9.369 -3.603 -20.833 1.00 1.39 H new ATOM 0 HG13 VAL A 86 -10.945 -4.131 -21.472 1.00 1.39 H new ATOM 0 HG21 VAL A 86 -12.325 -3.838 -18.782 1.00 1.11 H new ATOM 0 HG22 VAL A 86 -12.595 -5.371 -19.645 1.00 1.11 H new ATOM 0 HG23 VAL A 86 -11.969 -5.386 -17.979 1.00 1.11 H new ATOM 1295 N CYS A 91 -3.668 -3.330 -15.752 1.00 1.67 N ATOM 1296 CA CYS A 91 -4.330 -3.177 -14.464 1.00 1.37 C ATOM 1297 C CYS A 91 -3.233 -2.998 -13.426 1.00 1.21 C ATOM 1298 O CYS A 91 -3.044 -1.928 -12.861 1.00 2.43 O ATOM 1299 CB CYS A 91 -5.195 -4.411 -14.165 1.00 1.87 C ATOM 1300 SG CYS A 91 -6.967 -4.228 -14.416 1.00 2.96 S ATOM 0 HA CYS A 91 -4.998 -2.316 -14.456 1.00 1.37 H new ATOM 0 HB2 CYS A 91 -4.845 -5.233 -14.790 1.00 1.87 H new ATOM 0 HB3 CYS A 91 -5.025 -4.704 -13.129 1.00 1.87 H new ATOM 1305 N ARG A 92 -2.471 -4.070 -13.206 1.00 1.26 N ATOM 1306 CA ARG A 92 -1.302 -4.163 -12.340 1.00 1.02 C ATOM 1307 C ARG A 92 -1.514 -3.817 -10.868 1.00 1.33 C ATOM 1308 O ARG A 92 -1.305 -4.660 -9.998 1.00 2.54 O ATOM 1309 CB ARG A 92 -0.097 -3.414 -12.913 1.00 1.40 C ATOM 1310 CG ARG A 92 0.759 -4.401 -13.707 1.00 1.35 C ATOM 1311 CD ARG A 92 1.478 -5.349 -12.732 1.00 1.41 C ATOM 1312 NE ARG A 92 2.869 -4.925 -12.500 1.00 2.77 N ATOM 1313 CZ ARG A 92 3.880 -5.056 -13.373 1.00 3.78 C ATOM 1314 NH1 ARG A 92 3.683 -5.615 -14.563 1.00 4.27 N ATOM 1315 NH2 ARG A 92 5.101 -4.625 -13.071 1.00 5.10 N ATOM 0 H ARG A 92 -2.672 -4.959 -13.663 1.00 1.26 H new ATOM 0 HA ARG A 92 -1.092 -5.233 -12.334 1.00 1.02 H new ATOM 0 HB2 ARG A 92 -0.429 -2.599 -13.556 1.00 1.40 H new ATOM 0 HB3 ARG A 92 0.488 -2.968 -12.109 1.00 1.40 H new ATOM 0 HG2 ARG A 92 0.134 -4.972 -14.393 1.00 1.35 H new ATOM 0 HG3 ARG A 92 1.488 -3.863 -14.313 1.00 1.35 H new ATOM 0 HD2 ARG A 92 0.941 -5.375 -11.784 1.00 1.41 H new ATOM 0 HD3 ARG A 92 1.467 -6.363 -13.132 1.00 1.41 H new ATOM 0 HE ARG A 92 3.082 -4.495 -11.600 1.00 2.77 H new ATOM 0 HH11 ARG A 92 2.755 -5.950 -14.822 1.00 4.27 H new ATOM 0 HH12 ARG A 92 4.460 -5.709 -15.217 1.00 4.27 H new ATOM 0 HH21 ARG A 92 5.279 -4.188 -12.166 1.00 5.10 H new ATOM 0 HH22 ARG A 92 5.860 -4.731 -13.744 1.00 5.10 H new ATOM 1329 N HIS A 93 -1.926 -2.601 -10.541 1.00 0.81 N ATOM 1330 CA HIS A 93 -2.078 -2.278 -9.141 1.00 0.83 C ATOM 1331 C HIS A 93 -3.325 -2.996 -8.638 1.00 0.65 C ATOM 1332 O HIS A 93 -3.280 -3.628 -7.589 1.00 0.70 O ATOM 1333 CB HIS A 93 -2.208 -0.777 -8.926 1.00 1.10 C ATOM 1334 CG HIS A 93 -1.088 0.077 -9.442 1.00 1.16 C ATOM 1335 ND1 HIS A 93 -1.229 1.349 -9.970 1.00 1.62 N ATOM 1336 CD2 HIS A 93 0.246 -0.176 -9.276 1.00 1.17 C ATOM 1337 CE1 HIS A 93 -0.001 1.873 -10.096 1.00 1.86 C ATOM 1338 NE2 HIS A 93 0.903 0.967 -9.680 1.00 1.60 N ATOM 0 H HIS A 93 -2.151 -1.854 -11.198 1.00 0.81 H new ATOM 0 HA HIS A 93 -1.195 -2.601 -8.590 1.00 0.83 H new ATOM 0 HB2 HIS A 93 -3.134 -0.445 -9.396 1.00 1.10 H new ATOM 0 HB3 HIS A 93 -2.310 -0.594 -7.856 1.00 1.10 H new ATOM 0 HD2 HIS A 93 0.694 -1.086 -8.904 1.00 1.17 H new ATOM 0 HE1 HIS A 93 0.225 2.861 -10.470 1.00 1.86 H new ATOM 0 HE2 HIS A 93 1.914 1.104 -9.666 1.00 1.60 H new ATOM 1347 N TYR A 94 -4.420 -2.946 -9.403 1.00 0.57 N ATOM 1348 CA TYR A 94 -5.664 -3.578 -8.989 1.00 0.59 C ATOM 1349 C TYR A 94 -5.455 -5.056 -8.676 1.00 0.53 C ATOM 1350 O TYR A 94 -5.838 -5.515 -7.607 1.00 0.53 O ATOM 1351 CB TYR A 94 -6.762 -3.406 -10.038 1.00 0.67 C ATOM 1352 CG TYR A 94 -8.116 -3.798 -9.486 1.00 0.69 C ATOM 1353 CD1 TYR A 94 -8.769 -2.904 -8.622 1.00 1.78 C ATOM 1354 CD2 TYR A 94 -8.619 -5.104 -9.650 1.00 1.52 C ATOM 1355 CE1 TYR A 94 -9.915 -3.306 -7.925 1.00 2.19 C ATOM 1356 CE2 TYR A 94 -9.789 -5.496 -8.975 1.00 1.53 C ATOM 1357 CZ TYR A 94 -10.431 -4.598 -8.105 1.00 1.48 C ATOM 1358 OH TYR A 94 -11.561 -4.952 -7.437 1.00 1.98 O ATOM 0 H TYR A 94 -4.465 -2.475 -10.307 1.00 0.57 H new ATOM 0 HA TYR A 94 -5.989 -3.076 -8.078 1.00 0.59 H new ATOM 0 HB2 TYR A 94 -6.789 -2.369 -10.372 1.00 0.67 H new ATOM 0 HB3 TYR A 94 -6.532 -4.016 -10.911 1.00 0.67 H new ATOM 0 HD1 TYR A 94 -8.386 -1.902 -8.495 1.00 1.78 H new ATOM 0 HD2 TYR A 94 -8.106 -5.804 -10.294 1.00 1.52 H new ATOM 0 HE1 TYR A 94 -10.402 -2.620 -7.248 1.00 2.19 H new ATOM 0 HE2 TYR A 94 -10.194 -6.486 -9.125 1.00 1.53 H new ATOM 0 HH TYR A 94 -12.345 -4.613 -7.918 1.00 1.98 H new ATOM 1368 N THR A 95 -4.828 -5.792 -9.594 1.00 0.52 N ATOM 1369 CA THR A 95 -4.494 -7.194 -9.406 1.00 0.52 C ATOM 1370 C THR A 95 -3.864 -7.400 -8.021 1.00 0.46 C ATOM 1371 O THR A 95 -4.329 -8.231 -7.252 1.00 0.51 O ATOM 1372 CB THR A 95 -3.529 -7.626 -10.529 1.00 0.59 C ATOM 1373 OG1 THR A 95 -2.810 -6.507 -10.987 1.00 0.71 O ATOM 1374 CG2 THR A 95 -4.187 -8.121 -11.808 1.00 0.92 C ATOM 0 H THR A 95 -4.536 -5.422 -10.499 1.00 0.52 H new ATOM 0 HA THR A 95 -5.393 -7.808 -9.456 1.00 0.52 H new ATOM 0 HB THR A 95 -2.948 -8.422 -10.064 1.00 0.59 H new ATOM 0 HG1 THR A 95 -1.891 -6.548 -10.649 1.00 0.71 H new ATOM 0 HG21 THR A 95 -3.418 -8.398 -12.529 1.00 0.92 H new ATOM 0 HG22 THR A 95 -4.806 -8.990 -11.586 1.00 0.92 H new ATOM 0 HG23 THR A 95 -4.809 -7.330 -12.227 1.00 0.92 H new ATOM 1382 N GLN A 96 -2.817 -6.639 -7.691 1.00 0.46 N ATOM 1383 CA GLN A 96 -2.112 -6.790 -6.425 1.00 0.48 C ATOM 1384 C GLN A 96 -3.036 -6.449 -5.249 1.00 0.48 C ATOM 1385 O GLN A 96 -3.103 -7.192 -4.270 1.00 0.58 O ATOM 1386 CB GLN A 96 -0.837 -5.930 -6.456 1.00 0.56 C ATOM 1387 CG GLN A 96 -0.077 -5.886 -5.121 1.00 0.93 C ATOM 1388 CD GLN A 96 0.396 -7.263 -4.664 1.00 0.87 C ATOM 1389 OE1 GLN A 96 1.484 -7.695 -5.022 1.00 1.88 O ATOM 1390 NE2 GLN A 96 -0.421 -7.978 -3.900 1.00 0.74 N ATOM 0 H GLN A 96 -2.440 -5.907 -8.293 1.00 0.46 H new ATOM 0 HA GLN A 96 -1.810 -7.828 -6.281 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -0.171 -6.315 -7.228 1.00 0.56 H new ATOM 0 HB3 GLN A 96 -1.104 -4.913 -6.743 1.00 0.56 H new ATOM 0 HG2 GLN A 96 0.784 -5.225 -5.220 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -0.722 -5.456 -4.355 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -1.322 -7.593 -3.617 1.00 0.74 H new ATOM 0 HE22 GLN A 96 -0.148 -8.913 -3.596 1.00 0.74 H new ATOM 1399 N VAL A 97 -3.737 -5.319 -5.329 1.00 0.44 N ATOM 1400 CA VAL A 97 -4.642 -4.860 -4.282 1.00 0.45 C ATOM 1401 C VAL A 97 -5.620 -5.985 -3.949 1.00 0.51 C ATOM 1402 O VAL A 97 -5.762 -6.412 -2.801 1.00 0.75 O ATOM 1403 CB VAL A 97 -5.363 -3.587 -4.765 1.00 0.45 C ATOM 1404 CG1 VAL A 97 -6.569 -3.206 -3.904 1.00 0.56 C ATOM 1405 CG2 VAL A 97 -4.390 -2.408 -4.738 1.00 0.51 C ATOM 0 H VAL A 97 -3.691 -4.692 -6.132 1.00 0.44 H new ATOM 0 HA VAL A 97 -4.097 -4.608 -3.372 1.00 0.45 H new ATOM 0 HB VAL A 97 -5.719 -3.805 -5.772 1.00 0.45 H new ATOM 0 HG11 VAL A 97 -7.028 -2.301 -4.301 1.00 0.56 H new ATOM 0 HG12 VAL A 97 -7.296 -4.018 -3.917 1.00 0.56 H new ATOM 0 HG13 VAL A 97 -6.243 -3.027 -2.879 1.00 0.56 H new ATOM 0 HG21 VAL A 97 -4.900 -1.507 -5.080 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -4.030 -2.257 -3.720 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -3.546 -2.618 -5.395 1.00 0.51 H new ATOM 1415 N VAL A 98 -6.228 -6.538 -4.988 1.00 0.39 N ATOM 1416 CA VAL A 98 -7.281 -7.522 -4.904 1.00 0.38 C ATOM 1417 C VAL A 98 -6.764 -8.948 -4.729 1.00 0.45 C ATOM 1418 O VAL A 98 -7.565 -9.856 -4.597 1.00 0.76 O ATOM 1419 CB VAL A 98 -8.215 -7.318 -6.117 1.00 0.35 C ATOM 1420 CG1 VAL A 98 -8.200 -8.455 -7.144 1.00 0.41 C ATOM 1421 CG2 VAL A 98 -9.640 -7.163 -5.605 1.00 0.42 C ATOM 0 H VAL A 98 -5.986 -6.299 -5.950 1.00 0.39 H new ATOM 0 HA VAL A 98 -7.860 -7.372 -3.993 1.00 0.38 H new ATOM 0 HB VAL A 98 -7.846 -6.433 -6.635 1.00 0.35 H new ATOM 0 HG11 VAL A 98 -8.887 -8.220 -7.957 1.00 0.41 H new ATOM 0 HG12 VAL A 98 -7.192 -8.572 -7.542 1.00 0.41 H new ATOM 0 HG13 VAL A 98 -8.510 -9.383 -6.664 1.00 0.41 H new ATOM 0 HG21 VAL A 98 -10.316 -7.018 -6.448 1.00 0.42 H new ATOM 0 HG22 VAL A 98 -9.930 -8.060 -5.058 1.00 0.42 H new ATOM 0 HG23 VAL A 98 -9.696 -6.300 -4.942 1.00 0.42 H new ATOM 1431 N TRP A 99 -5.448 -9.153 -4.664 1.00 0.48 N ATOM 1432 CA TRP A 99 -4.872 -10.484 -4.786 1.00 0.48 C ATOM 1433 C TRP A 99 -5.276 -11.354 -3.596 1.00 0.52 C ATOM 1434 O TRP A 99 -4.604 -11.321 -2.566 1.00 0.62 O ATOM 1435 CB TRP A 99 -3.348 -10.411 -4.948 1.00 0.50 C ATOM 1436 CG TRP A 99 -2.725 -11.624 -5.564 1.00 0.58 C ATOM 1437 CD1 TRP A 99 -2.130 -12.634 -4.896 1.00 0.73 C ATOM 1438 CD2 TRP A 99 -2.585 -11.952 -6.979 1.00 0.65 C ATOM 1439 NE1 TRP A 99 -1.573 -13.517 -5.794 1.00 0.81 N ATOM 1440 CE2 TRP A 99 -1.819 -13.147 -7.095 1.00 0.76 C ATOM 1441 CE3 TRP A 99 -2.966 -11.323 -8.183 1.00 0.70 C ATOM 1442 CZ2 TRP A 99 -1.432 -13.667 -8.336 1.00 0.88 C ATOM 1443 CZ3 TRP A 99 -2.681 -11.904 -9.434 1.00 0.87 C ATOM 1444 CH2 TRP A 99 -1.900 -13.067 -9.513 1.00 0.93 C ATOM 0 H TRP A 99 -4.763 -8.410 -4.527 1.00 0.48 H new ATOM 0 HA TRP A 99 -5.269 -10.952 -5.687 1.00 0.48 H new ATOM 0 HB2 TRP A 99 -3.103 -9.543 -5.560 1.00 0.50 H new ATOM 0 HB3 TRP A 99 -2.900 -10.247 -3.968 1.00 0.50 H new ATOM 0 HD1 TRP A 99 -2.096 -12.735 -3.821 1.00 0.73 H new ATOM 0 HE1 TRP A 99 -1.042 -14.346 -5.526 1.00 0.81 H new ATOM 0 HE3 TRP A 99 -3.486 -10.377 -8.145 1.00 0.70 H new ATOM 0 HZ2 TRP A 99 -0.777 -14.525 -8.386 1.00 0.88 H new ATOM 0 HZ3 TRP A 99 -3.065 -11.452 -10.337 1.00 0.87 H new ATOM 0 HH2 TRP A 99 -1.661 -13.497 -10.474 1.00 0.93 H new ATOM 1455 N ARG A 100 -6.366 -12.105 -3.733 1.00 0.67 N ATOM 1456 CA ARG A 100 -6.941 -13.019 -2.757 1.00 0.73 C ATOM 1457 C ARG A 100 -5.845 -13.719 -1.963 1.00 0.68 C ATOM 1458 O ARG A 100 -5.865 -13.730 -0.735 1.00 0.79 O ATOM 1459 CB ARG A 100 -7.813 -14.024 -3.530 1.00 0.80 C ATOM 1460 CG ARG A 100 -8.377 -15.193 -2.712 1.00 0.95 C ATOM 1461 CD ARG A 100 -9.509 -14.815 -1.747 1.00 2.34 C ATOM 1462 NE ARG A 100 -9.082 -14.009 -0.587 1.00 4.15 N ATOM 1463 CZ ARG A 100 -8.487 -14.496 0.515 1.00 5.39 C ATOM 1464 NH1 ARG A 100 -8.111 -15.776 0.560 1.00 5.19 N ATOM 1465 NH2 ARG A 100 -8.283 -13.686 1.556 1.00 7.38 N ATOM 0 H ARG A 100 -6.909 -12.087 -4.596 1.00 0.67 H new ATOM 0 HA ARG A 100 -7.550 -12.480 -2.032 1.00 0.73 H new ATOM 0 HB2 ARG A 100 -8.647 -13.483 -3.976 1.00 0.80 H new ATOM 0 HB3 ARG A 100 -7.222 -14.432 -4.350 1.00 0.80 H new ATOM 0 HG2 ARG A 100 -8.744 -15.956 -3.399 1.00 0.95 H new ATOM 0 HG3 ARG A 100 -7.566 -15.643 -2.140 1.00 0.95 H new ATOM 0 HD2 ARG A 100 -10.269 -14.261 -2.298 1.00 2.34 H new ATOM 0 HD3 ARG A 100 -9.980 -15.729 -1.385 1.00 2.34 H new ATOM 0 HE ARG A 100 -9.252 -13.004 -0.625 1.00 4.15 H new ATOM 0 HH11 ARG A 100 -8.275 -16.384 -0.242 1.00 5.19 H new ATOM 0 HH12 ARG A 100 -7.659 -16.146 1.396 1.00 5.19 H new ATOM 0 HH21 ARG A 100 -8.578 -12.711 1.509 1.00 7.38 H new ATOM 0 HH22 ARG A 100 -7.832 -14.042 2.399 1.00 7.38 H new ATOM 1479 N ASN A 101 -4.887 -14.296 -2.687 1.00 0.59 N ATOM 1480 CA ASN A 101 -3.808 -15.085 -2.107 1.00 0.52 C ATOM 1481 C ASN A 101 -3.027 -14.304 -1.055 1.00 0.60 C ATOM 1482 O ASN A 101 -2.621 -14.877 -0.047 1.00 1.28 O ATOM 1483 CB ASN A 101 -2.860 -15.581 -3.205 1.00 0.63 C ATOM 1484 CG ASN A 101 -2.677 -17.088 -3.129 1.00 1.13 C ATOM 1485 OD1 ASN A 101 -1.917 -17.589 -2.171 1.00 1.82 O flip ATOM 1486 ND2 ASN A 101 -3.239 -17.816 -3.939 1.00 1.96 N flip ATOM 0 H ASN A 101 -4.840 -14.226 -3.704 1.00 0.59 H new ATOM 0 HA ASN A 101 -4.265 -15.940 -1.609 1.00 0.52 H new ATOM 0 HB2 ASN A 101 -3.257 -15.308 -4.183 1.00 0.63 H new ATOM 0 HB3 ASN A 101 -1.893 -15.088 -3.105 1.00 0.63 H new ATOM 0 HD21 ASN A 101 -3.822 -17.410 -4.671 1.00 1.96 H new ATOM 0 HD22 ASN A 101 -3.124 -18.828 -3.881 1.00 1.96 H new ATOM 1493 N SER A 102 -2.806 -13.007 -1.280 1.00 0.58 N ATOM 1494 CA SER A 102 -2.062 -12.166 -0.363 1.00 0.61 C ATOM 1495 C SER A 102 -3.033 -11.699 0.717 1.00 0.66 C ATOM 1496 O SER A 102 -3.899 -10.861 0.453 1.00 1.05 O ATOM 1497 CB SER A 102 -1.455 -10.957 -1.088 1.00 0.77 C ATOM 1498 OG SER A 102 -0.759 -11.323 -2.267 1.00 1.94 O ATOM 0 H SER A 102 -3.143 -12.517 -2.109 1.00 0.58 H new ATOM 0 HA SER A 102 -1.236 -12.729 0.072 1.00 0.61 H new ATOM 0 HB2 SER A 102 -2.248 -10.254 -1.342 1.00 0.77 H new ATOM 0 HB3 SER A 102 -0.773 -10.438 -0.414 1.00 0.77 H new ATOM 0 HG SER A 102 0.045 -11.830 -2.028 1.00 1.94 H new ATOM 1504 N VAL A 103 -2.902 -12.262 1.916 1.00 0.53 N ATOM 1505 CA VAL A 103 -3.758 -11.963 3.057 1.00 0.54 C ATOM 1506 C VAL A 103 -3.160 -10.877 3.947 1.00 0.57 C ATOM 1507 O VAL A 103 -3.871 -10.241 4.719 1.00 0.88 O ATOM 1508 CB VAL A 103 -4.067 -13.248 3.841 1.00 0.63 C ATOM 1509 CG1 VAL A 103 -5.000 -14.130 3.006 1.00 0.75 C ATOM 1510 CG2 VAL A 103 -2.811 -14.039 4.237 1.00 0.70 C ATOM 0 H VAL A 103 -2.182 -12.954 2.124 1.00 0.53 H new ATOM 0 HA VAL A 103 -4.700 -11.564 2.681 1.00 0.54 H new ATOM 0 HB VAL A 103 -4.546 -12.950 4.774 1.00 0.63 H new ATOM 0 HG11 VAL A 103 -5.224 -15.044 3.555 1.00 0.75 H new ATOM 0 HG12 VAL A 103 -5.926 -13.591 2.804 1.00 0.75 H new ATOM 0 HG13 VAL A 103 -4.515 -14.383 2.063 1.00 0.75 H new ATOM 0 HG21 VAL A 103 -3.103 -14.933 4.787 1.00 0.70 H new ATOM 0 HG22 VAL A 103 -2.265 -14.328 3.339 1.00 0.70 H new ATOM 0 HG23 VAL A 103 -2.173 -13.418 4.866 1.00 0.70 H new ATOM 1520 N ARG A 104 -1.861 -10.638 3.817 1.00 0.56 N ATOM 1521 CA ARG A 104 -1.207 -9.527 4.480 1.00 0.61 C ATOM 1522 C ARG A 104 -1.022 -8.377 3.514 1.00 0.59 C ATOM 1523 O ARG A 104 -0.805 -8.592 2.321 1.00 0.62 O ATOM 1524 CB ARG A 104 0.152 -9.917 5.053 1.00 0.74 C ATOM 1525 CG ARG A 104 0.995 -10.891 4.239 1.00 1.90 C ATOM 1526 CD ARG A 104 2.271 -11.189 5.039 1.00 2.65 C ATOM 1527 NE ARG A 104 2.313 -12.596 5.463 1.00 2.35 N ATOM 1528 CZ ARG A 104 2.105 -13.081 6.694 1.00 2.53 C ATOM 1529 NH1 ARG A 104 2.132 -12.300 7.778 1.00 3.11 N ATOM 1530 NH2 ARG A 104 1.827 -14.375 6.795 1.00 3.40 N ATOM 0 H ARG A 104 -1.236 -11.210 3.249 1.00 0.56 H new ATOM 0 HA ARG A 104 -1.852 -9.226 5.306 1.00 0.61 H new ATOM 0 HB2 ARG A 104 0.732 -9.006 5.197 1.00 0.74 H new ATOM 0 HB3 ARG A 104 -0.009 -10.352 6.040 1.00 0.74 H new ATOM 0 HG2 ARG A 104 0.440 -11.810 4.049 1.00 1.90 H new ATOM 0 HG3 ARG A 104 1.244 -10.462 3.268 1.00 1.90 H new ATOM 0 HD2 ARG A 104 3.147 -10.963 4.430 1.00 2.65 H new ATOM 0 HD3 ARG A 104 2.315 -10.541 5.914 1.00 2.65 H new ATOM 0 HE ARG A 104 2.525 -13.281 4.737 1.00 2.35 H new ATOM 0 HH11 ARG A 104 2.315 -11.301 7.682 1.00 3.11 H new ATOM 0 HH12 ARG A 104 1.969 -12.703 8.701 1.00 3.11 H new ATOM 0 HH21 ARG A 104 1.780 -14.953 5.956 1.00 3.40 H new ATOM 0 HH22 ARG A 104 1.661 -14.791 7.711 1.00 3.40 H new ATOM 1544 N LEU A 105 -1.035 -7.170 4.062 1.00 0.65 N ATOM 1545 CA LEU A 105 -0.489 -5.982 3.450 1.00 0.57 C ATOM 1546 C LEU A 105 0.190 -5.199 4.560 1.00 0.50 C ATOM 1547 O LEU A 105 -0.123 -5.356 5.738 1.00 0.73 O ATOM 1548 CB LEU A 105 -1.628 -5.222 2.765 1.00 0.89 C ATOM 1549 CG LEU A 105 -1.389 -3.797 2.241 1.00 0.87 C ATOM 1550 CD1 LEU A 105 -1.690 -2.731 3.292 1.00 2.07 C ATOM 1551 CD2 LEU A 105 -0.072 -3.529 1.515 1.00 2.62 C ATOM 0 H LEU A 105 -1.443 -6.992 4.980 1.00 0.65 H new ATOM 0 HA LEU A 105 0.250 -6.189 2.676 1.00 0.57 H new ATOM 0 HB2 LEU A 105 -1.961 -5.827 1.922 1.00 0.89 H new ATOM 0 HB3 LEU A 105 -2.457 -5.174 3.471 1.00 0.89 H new ATOM 0 HG LEU A 105 -2.125 -3.720 1.441 1.00 0.87 H new ATOM 0 HD11 LEU A 105 -1.505 -1.743 2.871 1.00 2.07 H new ATOM 0 HD12 LEU A 105 -2.734 -2.806 3.598 1.00 2.07 H new ATOM 0 HD13 LEU A 105 -1.046 -2.882 4.159 1.00 2.07 H new ATOM 0 HD21 LEU A 105 -0.036 -2.486 1.200 1.00 2.62 H new ATOM 0 HD22 LEU A 105 0.762 -3.734 2.186 1.00 2.62 H new ATOM 0 HD23 LEU A 105 -0.001 -4.175 0.640 1.00 2.62 H new ATOM 1563 N GLY A 106 1.141 -4.374 4.166 1.00 0.51 N ATOM 1564 CA GLY A 106 1.841 -3.441 5.020 1.00 0.50 C ATOM 1565 C GLY A 106 2.486 -2.423 4.095 1.00 0.49 C ATOM 1566 O GLY A 106 3.058 -2.799 3.068 1.00 0.60 O ATOM 0 H GLY A 106 1.459 -4.336 3.198 1.00 0.51 H new ATOM 0 HA2 GLY A 106 1.154 -2.957 5.713 1.00 0.50 H new ATOM 0 HA3 GLY A 106 2.593 -3.952 5.621 1.00 0.50 H new ATOM 1570 N CYS A 107 2.303 -1.140 4.397 1.00 0.49 N ATOM 1571 CA CYS A 107 2.670 -0.045 3.511 1.00 0.53 C ATOM 1572 C CYS A 107 3.567 0.929 4.258 1.00 0.56 C ATOM 1573 O CYS A 107 3.777 0.776 5.461 1.00 0.67 O ATOM 1574 CB CYS A 107 1.411 0.643 2.987 1.00 0.63 C ATOM 1575 SG CYS A 107 0.513 -0.218 1.677 1.00 1.19 S ATOM 0 H CYS A 107 1.890 -0.830 5.277 1.00 0.49 H new ATOM 0 HA CYS A 107 3.221 -0.429 2.653 1.00 0.53 H new ATOM 0 HB2 CYS A 107 0.731 0.795 3.825 1.00 0.63 H new ATOM 0 HB3 CYS A 107 1.689 1.631 2.619 1.00 0.63 H new ATOM 1580 N GLY A 108 4.102 1.915 3.544 1.00 0.68 N ATOM 1581 CA GLY A 108 5.079 2.870 4.018 1.00 0.76 C ATOM 1582 C GLY A 108 4.810 4.228 3.383 1.00 0.87 C ATOM 1583 O GLY A 108 4.078 4.319 2.397 1.00 1.49 O ATOM 0 H GLY A 108 3.847 2.071 2.569 1.00 0.68 H new ATOM 0 HA2 GLY A 108 5.030 2.948 5.104 1.00 0.76 H new ATOM 0 HA3 GLY A 108 6.085 2.532 3.768 1.00 0.76 H new ATOM 1587 N ARG A 109 5.414 5.256 3.969 1.00 0.72 N ATOM 1588 CA ARG A 109 5.218 6.681 3.779 1.00 0.84 C ATOM 1589 C ARG A 109 6.573 7.331 4.086 1.00 0.83 C ATOM 1590 O ARG A 109 6.739 7.931 5.150 1.00 1.40 O ATOM 1591 CB ARG A 109 4.125 7.111 4.734 1.00 0.97 C ATOM 1592 CG ARG A 109 3.729 8.579 4.600 1.00 1.40 C ATOM 1593 CD ARG A 109 3.355 9.146 3.220 1.00 1.22 C ATOM 1594 NE ARG A 109 2.243 10.119 3.315 1.00 1.42 N ATOM 1595 CZ ARG A 109 2.236 11.303 3.953 1.00 2.32 C ATOM 1596 NH1 ARG A 109 3.385 11.803 4.395 1.00 3.35 N ATOM 1597 NH2 ARG A 109 1.093 11.969 4.131 1.00 2.91 N ATOM 0 H ARG A 109 6.136 5.085 4.669 1.00 0.72 H new ATOM 0 HA ARG A 109 4.908 6.968 2.774 1.00 0.84 H new ATOM 0 HB2 ARG A 109 3.245 6.491 4.566 1.00 0.97 H new ATOM 0 HB3 ARG A 109 4.455 6.926 5.756 1.00 0.97 H new ATOM 0 HG2 ARG A 109 2.880 8.749 5.262 1.00 1.40 H new ATOM 0 HG3 ARG A 109 4.557 9.176 4.983 1.00 1.40 H new ATOM 0 HD2 ARG A 109 4.225 9.629 2.776 1.00 1.22 H new ATOM 0 HD3 ARG A 109 3.070 8.330 2.556 1.00 1.22 H new ATOM 0 HE ARG A 109 1.378 9.860 2.840 1.00 1.42 H new ATOM 0 HH11 ARG A 109 4.254 11.290 4.248 1.00 3.35 H new ATOM 0 HH12 ARG A 109 3.398 12.700 4.881 1.00 3.35 H new ATOM 0 HH21 ARG A 109 0.217 11.581 3.782 1.00 2.91 H new ATOM 0 HH22 ARG A 109 1.096 12.866 4.616 1.00 2.91 H new ATOM 1611 N ALA A 110 7.566 7.131 3.220 1.00 0.56 N ATOM 1612 CA ALA A 110 8.932 7.600 3.441 1.00 0.71 C ATOM 1613 C ALA A 110 9.131 8.845 2.592 1.00 0.76 C ATOM 1614 O ALA A 110 8.889 8.794 1.390 1.00 0.86 O ATOM 1615 CB ALA A 110 9.962 6.539 3.034 1.00 0.86 C ATOM 0 H ALA A 110 7.443 6.634 2.338 1.00 0.56 H new ATOM 0 HA ALA A 110 9.076 7.811 4.501 1.00 0.71 H new ATOM 0 HB1 ALA A 110 10.967 6.921 3.212 1.00 0.86 H new ATOM 0 HB2 ALA A 110 9.807 5.636 3.625 1.00 0.86 H new ATOM 0 HB3 ALA A 110 9.844 6.305 1.976 1.00 0.86 H new ATOM 1621 N ARG A 111 9.554 9.967 3.164 1.00 0.86 N ATOM 1622 CA ARG A 111 9.874 11.118 2.340 1.00 0.97 C ATOM 1623 C ARG A 111 11.073 10.789 1.449 1.00 0.99 C ATOM 1624 O ARG A 111 12.148 10.459 1.947 1.00 1.31 O ATOM 1625 CB ARG A 111 10.132 12.351 3.208 1.00 1.31 C ATOM 1626 CG ARG A 111 10.356 13.566 2.305 1.00 1.78 C ATOM 1627 CD ARG A 111 10.371 14.834 3.152 1.00 2.09 C ATOM 1628 NE ARG A 111 10.695 16.018 2.340 1.00 2.24 N ATOM 1629 CZ ARG A 111 9.776 16.775 1.729 1.00 2.40 C ATOM 1630 NH1 ARG A 111 8.511 16.361 1.743 1.00 2.85 N ATOM 1631 NH2 ARG A 111 10.105 17.906 1.112 1.00 3.37 N ATOM 0 H ARG A 111 9.680 10.100 4.167 1.00 0.86 H new ATOM 0 HA ARG A 111 9.024 11.353 1.699 1.00 0.97 H new ATOM 0 HB2 ARG A 111 9.285 12.527 3.871 1.00 1.31 H new ATOM 0 HB3 ARG A 111 11.004 12.188 3.841 1.00 1.31 H new ATOM 0 HG2 ARG A 111 11.299 13.464 1.767 1.00 1.78 H new ATOM 0 HG3 ARG A 111 9.567 13.626 1.556 1.00 1.78 H new ATOM 0 HD2 ARG A 111 9.398 14.970 3.624 1.00 2.09 H new ATOM 0 HD3 ARG A 111 11.102 14.729 3.954 1.00 2.09 H new ATOM 0 HE ARG A 111 11.676 16.276 2.237 1.00 2.24 H new ATOM 0 HH11 ARG A 111 8.265 15.489 2.211 1.00 2.85 H new ATOM 0 HH12 ARG A 111 7.788 16.916 1.286 1.00 2.85 H new ATOM 0 HH21 ARG A 111 11.077 18.215 1.097 1.00 3.37 H new ATOM 0 HH22 ARG A 111 9.385 18.465 0.654 1.00 3.37 H new ATOM 1645 N CYS A 112 10.907 10.889 0.130 1.00 0.93 N ATOM 1646 CA CYS A 112 12.022 10.752 -0.790 1.00 1.03 C ATOM 1647 C CYS A 112 13.046 11.855 -0.606 1.00 1.58 C ATOM 1648 O CYS A 112 12.711 13.003 -0.323 1.00 1.91 O ATOM 1649 CB CYS A 112 11.618 10.704 -2.260 1.00 1.05 C ATOM 1650 SG CYS A 112 10.274 9.639 -2.798 1.00 1.77 S ATOM 0 H CYS A 112 10.008 11.065 -0.320 1.00 0.93 H new ATOM 0 HA CYS A 112 12.459 9.786 -0.535 1.00 1.03 H new ATOM 0 HB2 CYS A 112 11.362 11.721 -2.558 1.00 1.05 H new ATOM 0 HB3 CYS A 112 12.503 10.418 -2.829 1.00 1.05 H new ATOM 1690 N TRP A 116 9.974 14.737 -2.787 1.00 2.35 N ATOM 1691 CA TRP A 116 8.663 14.125 -2.930 1.00 1.30 C ATOM 1692 C TRP A 116 8.468 13.083 -1.828 1.00 1.20 C ATOM 1693 O TRP A 116 9.365 12.848 -1.020 1.00 1.46 O ATOM 1694 CB TRP A 116 8.566 13.500 -4.323 1.00 1.37 C ATOM 1695 CG TRP A 116 8.546 14.446 -5.483 1.00 1.29 C ATOM 1696 CD1 TRP A 116 8.439 15.791 -5.434 1.00 1.62 C ATOM 1697 CD2 TRP A 116 8.591 14.107 -6.894 1.00 1.25 C ATOM 1698 NE1 TRP A 116 8.330 16.287 -6.713 1.00 1.74 N ATOM 1699 CE2 TRP A 116 8.424 15.294 -7.660 1.00 1.45 C ATOM 1700 CE3 TRP A 116 8.748 12.902 -7.597 1.00 1.48 C ATOM 1701 CZ2 TRP A 116 8.374 15.280 -9.061 1.00 1.64 C ATOM 1702 CZ3 TRP A 116 8.750 12.878 -9.003 1.00 1.69 C ATOM 1703 CH2 TRP A 116 8.510 14.054 -9.732 1.00 1.66 C ATOM 0 HA TRP A 116 7.873 14.869 -2.828 1.00 1.30 H new ATOM 0 HB2 TRP A 116 9.409 12.822 -4.451 1.00 1.37 H new ATOM 0 HB3 TRP A 116 7.661 12.894 -4.362 1.00 1.37 H new ATOM 0 HD1 TRP A 116 8.439 16.385 -4.532 1.00 1.62 H new ATOM 0 HE1 TRP A 116 8.195 17.274 -6.933 1.00 1.74 H new ATOM 0 HE3 TRP A 116 8.869 11.979 -7.049 1.00 1.48 H new ATOM 0 HZ2 TRP A 116 8.233 16.197 -9.615 1.00 1.64 H new ATOM 0 HZ3 TRP A 116 8.937 11.951 -9.525 1.00 1.69 H new ATOM 0 HH2 TRP A 116 8.430 14.016 -10.808 1.00 1.66 H new ATOM 1714 N TRP A 117 7.300 12.448 -1.791 1.00 1.07 N ATOM 1715 CA TRP A 117 6.989 11.389 -0.848 1.00 1.10 C ATOM 1716 C TRP A 117 6.880 10.058 -1.572 1.00 1.05 C ATOM 1717 O TRP A 117 6.209 9.968 -2.596 1.00 1.33 O ATOM 1718 CB TRP A 117 5.703 11.722 -0.105 1.00 1.20 C ATOM 1719 CG TRP A 117 5.881 12.788 0.923 1.00 1.32 C ATOM 1720 CD1 TRP A 117 5.886 14.116 0.690 1.00 1.74 C ATOM 1721 CD2 TRP A 117 6.147 12.632 2.343 1.00 1.14 C ATOM 1722 NE1 TRP A 117 5.990 14.794 1.883 1.00 1.70 N ATOM 1723 CE2 TRP A 117 6.169 13.926 2.942 1.00 1.35 C ATOM 1724 CE3 TRP A 117 6.384 11.522 3.179 1.00 0.92 C ATOM 1725 CZ2 TRP A 117 6.349 14.102 4.320 1.00 1.29 C ATOM 1726 CZ3 TRP A 117 6.603 11.692 4.556 1.00 0.96 C ATOM 1727 CH2 TRP A 117 6.531 12.971 5.132 1.00 1.09 C ATOM 0 H TRP A 117 6.533 12.662 -2.428 1.00 1.07 H new ATOM 0 HA TRP A 117 7.794 11.306 -0.117 1.00 1.10 H new ATOM 0 HB2 TRP A 117 4.947 12.041 -0.823 1.00 1.20 H new ATOM 0 HB3 TRP A 117 5.325 10.820 0.377 1.00 1.20 H new ATOM 0 HD1 TRP A 117 5.819 14.577 -0.284 1.00 1.74 H new ATOM 0 HE1 TRP A 117 5.941 15.809 1.974 1.00 1.70 H new ATOM 0 HE3 TRP A 117 6.397 10.529 2.755 1.00 0.92 H new ATOM 0 HZ2 TRP A 117 6.348 15.092 4.751 1.00 1.29 H new ATOM 0 HZ3 TRP A 117 6.828 10.836 5.174 1.00 0.96 H new ATOM 0 HH2 TRP A 117 6.616 13.085 6.203 1.00 1.09 H new ATOM 1738 N PHE A 118 7.530 9.045 -1.008 1.00 0.84 N ATOM 1739 CA PHE A 118 7.507 7.655 -1.426 1.00 0.78 C ATOM 1740 C PHE A 118 6.377 6.987 -0.641 1.00 0.52 C ATOM 1741 O PHE A 118 6.387 7.040 0.592 1.00 0.77 O ATOM 1742 CB PHE A 118 8.857 7.008 -1.038 1.00 1.06 C ATOM 1743 CG PHE A 118 9.472 5.973 -1.963 1.00 1.15 C ATOM 1744 CD1 PHE A 118 8.683 5.199 -2.834 1.00 1.30 C ATOM 1745 CD2 PHE A 118 10.844 5.681 -1.829 1.00 2.81 C ATOM 1746 CE1 PHE A 118 9.259 4.132 -3.542 1.00 1.30 C ATOM 1747 CE2 PHE A 118 11.422 4.623 -2.551 1.00 2.95 C ATOM 1748 CZ PHE A 118 10.627 3.842 -3.406 1.00 1.49 C ATOM 0 H PHE A 118 8.126 9.187 -0.192 1.00 0.84 H new ATOM 0 HA PHE A 118 7.354 7.550 -2.500 1.00 0.78 H new ATOM 0 HB2 PHE A 118 9.583 7.811 -0.915 1.00 1.06 H new ATOM 0 HB3 PHE A 118 8.729 6.541 -0.061 1.00 1.06 H new ATOM 0 HD1 PHE A 118 7.634 5.426 -2.958 1.00 1.30 H new ATOM 0 HD2 PHE A 118 11.456 6.275 -1.166 1.00 2.81 H new ATOM 0 HE1 PHE A 118 8.646 3.530 -4.196 1.00 1.30 H new ATOM 0 HE2 PHE A 118 12.476 4.411 -2.449 1.00 2.95 H new ATOM 0 HZ PHE A 118 11.065 3.022 -3.956 1.00 1.49 H new ATOM 1758 N ILE A 119 5.414 6.367 -1.321 1.00 0.45 N ATOM 1759 CA ILE A 119 4.438 5.488 -0.693 1.00 0.53 C ATOM 1760 C ILE A 119 4.696 4.093 -1.248 1.00 0.52 C ATOM 1761 O ILE A 119 4.743 3.910 -2.464 1.00 0.51 O ATOM 1762 CB ILE A 119 3.012 6.004 -0.946 1.00 0.76 C ATOM 1763 CG1 ILE A 119 2.720 7.096 0.094 1.00 0.84 C ATOM 1764 CG2 ILE A 119 1.966 4.885 -0.830 1.00 0.96 C ATOM 1765 CD1 ILE A 119 1.774 8.164 -0.450 1.00 1.03 C ATOM 0 H ILE A 119 5.291 6.463 -2.329 1.00 0.45 H new ATOM 0 HA ILE A 119 4.537 5.461 0.392 1.00 0.53 H new ATOM 0 HB ILE A 119 2.949 6.395 -1.962 1.00 0.76 H new ATOM 0 HG12 ILE A 119 2.282 6.642 0.983 1.00 0.84 H new ATOM 0 HG13 ILE A 119 3.655 7.563 0.402 1.00 0.84 H new ATOM 0 HG21 ILE A 119 0.973 5.294 -1.016 1.00 0.96 H new ATOM 0 HG22 ILE A 119 2.182 4.108 -1.563 1.00 0.96 H new ATOM 0 HG23 ILE A 119 2.000 4.458 0.172 1.00 0.96 H new ATOM 0 HD11 ILE A 119 1.595 8.916 0.318 1.00 1.03 H new ATOM 0 HD12 ILE A 119 2.223 8.637 -1.323 1.00 1.03 H new ATOM 0 HD13 ILE A 119 0.828 7.702 -0.733 1.00 1.03 H new ATOM 1777 N SER A 120 4.904 3.112 -0.375 1.00 0.69 N ATOM 1778 CA SER A 120 5.547 1.868 -0.765 1.00 0.63 C ATOM 1779 C SER A 120 4.946 0.708 0.000 1.00 0.63 C ATOM 1780 O SER A 120 4.735 0.851 1.196 1.00 0.71 O ATOM 1781 CB SER A 120 7.032 1.992 -0.430 1.00 1.10 C ATOM 1782 OG SER A 120 7.534 3.157 -1.059 1.00 2.21 O ATOM 0 H SER A 120 4.635 3.158 0.608 1.00 0.69 H new ATOM 0 HA SER A 120 5.404 1.685 -1.830 1.00 0.63 H new ATOM 0 HB2 SER A 120 7.174 2.052 0.649 1.00 1.10 H new ATOM 0 HB3 SER A 120 7.574 1.111 -0.774 1.00 1.10 H new ATOM 0 HG SER A 120 8.163 2.902 -1.766 1.00 2.21 H new ATOM 1788 N CYS A 121 4.696 -0.430 -0.648 1.00 0.89 N ATOM 1789 CA CYS A 121 4.069 -1.573 0.007 1.00 1.06 C ATOM 1790 C CYS A 121 4.754 -2.853 -0.455 1.00 1.31 C ATOM 1791 O CYS A 121 5.454 -2.848 -1.472 1.00 2.04 O ATOM 1792 CB CYS A 121 2.569 -1.605 -0.307 1.00 1.21 C ATOM 1793 SG CYS A 121 1.642 -0.059 -0.079 1.00 2.04 S ATOM 0 H CYS A 121 4.920 -0.583 -1.631 1.00 0.89 H new ATOM 0 HA CYS A 121 4.181 -1.485 1.088 1.00 1.06 H new ATOM 0 HB2 CYS A 121 2.447 -1.923 -1.342 1.00 1.21 H new ATOM 0 HB3 CYS A 121 2.109 -2.371 0.318 1.00 1.21 H new ATOM 1798 N ASN A 122 4.596 -3.922 0.322 1.00 0.94 N ATOM 1799 CA ASN A 122 5.008 -5.295 0.041 1.00 0.97 C ATOM 1800 C ASN A 122 3.819 -6.169 0.429 1.00 0.93 C ATOM 1801 O ASN A 122 2.969 -5.710 1.196 1.00 0.95 O ATOM 1802 CB ASN A 122 6.222 -5.705 0.893 1.00 1.05 C ATOM 1803 CG ASN A 122 7.562 -5.182 0.387 1.00 1.43 C ATOM 1804 OD1 ASN A 122 8.200 -4.340 1.020 1.00 2.85 O ATOM 1805 ND2 ASN A 122 8.040 -5.659 -0.752 1.00 1.64 N ATOM 0 H ASN A 122 4.143 -3.845 1.233 1.00 0.94 H new ATOM 0 HA ASN A 122 5.293 -5.400 -1.006 1.00 0.97 H new ATOM 0 HB2 ASN A 122 6.070 -5.349 1.912 1.00 1.05 H new ATOM 0 HB3 ASN A 122 6.266 -6.793 0.938 1.00 1.05 H new ATOM 0 HD21 ASN A 122 8.938 -5.329 -1.106 1.00 1.64 H new ATOM 0 HD22 ASN A 122 7.510 -6.356 -1.275 1.00 1.64 H new ATOM 1812 N TYR A 123 3.727 -7.385 -0.111 1.00 0.92 N ATOM 1813 CA TYR A 123 2.667 -8.345 0.169 1.00 0.88 C ATOM 1814 C TYR A 123 3.277 -9.747 0.116 1.00 1.00 C ATOM 1815 O TYR A 123 4.206 -9.969 -0.658 1.00 1.10 O ATOM 1816 CB TYR A 123 1.544 -8.223 -0.871 1.00 0.59 C ATOM 1817 CG TYR A 123 0.905 -6.853 -1.016 1.00 0.60 C ATOM 1818 CD1 TYR A 123 1.586 -5.853 -1.730 1.00 1.91 C ATOM 1819 CD2 TYR A 123 -0.384 -6.593 -0.513 1.00 1.66 C ATOM 1820 CE1 TYR A 123 0.975 -4.621 -1.999 1.00 1.91 C ATOM 1821 CE2 TYR A 123 -1.032 -5.389 -0.861 1.00 1.67 C ATOM 1822 CZ TYR A 123 -0.357 -4.420 -1.623 1.00 0.65 C ATOM 1823 OH TYR A 123 -0.964 -3.255 -1.969 1.00 0.72 O ATOM 0 H TYR A 123 4.414 -7.737 -0.778 1.00 0.92 H new ATOM 0 HA TYR A 123 2.238 -8.151 1.152 1.00 0.88 H new ATOM 0 HB2 TYR A 123 1.943 -8.518 -1.841 1.00 0.59 H new ATOM 0 HB3 TYR A 123 0.763 -8.939 -0.616 1.00 0.59 H new ATOM 0 HD1 TYR A 123 2.593 -6.036 -2.076 1.00 1.91 H new ATOM 0 HD2 TYR A 123 -0.872 -7.308 0.133 1.00 1.66 H new ATOM 0 HE1 TYR A 123 1.527 -3.834 -2.492 1.00 1.91 H new ATOM 0 HE2 TYR A 123 -2.048 -5.212 -0.541 1.00 1.67 H new ATOM 0 HH TYR A 123 -1.760 -3.124 -1.413 1.00 0.72 H new ATOM 1833 N ASP A 124 2.750 -10.684 0.909 1.00 1.09 N ATOM 1834 CA ASP A 124 3.084 -12.107 0.866 1.00 1.17 C ATOM 1835 C ASP A 124 1.764 -12.883 0.953 1.00 0.96 C ATOM 1836 O ASP A 124 0.833 -12.378 1.588 1.00 0.93 O ATOM 1837 CB ASP A 124 3.968 -12.498 2.058 1.00 1.45 C ATOM 1838 CG ASP A 124 4.506 -13.910 1.929 1.00 1.93 C ATOM 1839 OD1 ASP A 124 3.764 -14.859 2.261 1.00 2.48 O ATOM 1840 OD2 ASP A 124 5.665 -14.069 1.499 1.00 2.89 O ATOM 0 H ASP A 124 2.055 -10.463 1.623 1.00 1.09 H new ATOM 0 HA ASP A 124 3.629 -12.333 -0.051 1.00 1.17 H new ATOM 0 HB2 ASP A 124 4.801 -11.799 2.136 1.00 1.45 H new ATOM 0 HB3 ASP A 124 3.392 -12.412 2.980 1.00 1.45 H new ATOM 1845 N PRO A 125 1.637 -14.084 0.370 1.00 0.89 N ATOM 1846 CA PRO A 125 2.467 -14.613 -0.697 1.00 1.03 C ATOM 1847 C PRO A 125 2.525 -13.630 -1.856 1.00 0.97 C ATOM 1848 O PRO A 125 1.621 -12.804 -2.008 1.00 0.99 O ATOM 1849 CB PRO A 125 1.823 -15.940 -1.112 1.00 1.08 C ATOM 1850 CG PRO A 125 0.395 -15.842 -0.589 1.00 0.85 C ATOM 1851 CD PRO A 125 0.577 -15.018 0.677 1.00 0.76 C ATOM 0 HA PRO A 125 3.497 -14.769 -0.375 1.00 1.03 H new ATOM 0 HB2 PRO A 125 1.843 -16.071 -2.194 1.00 1.08 H new ATOM 0 HB3 PRO A 125 2.349 -16.791 -0.678 1.00 1.08 H new ATOM 0 HG2 PRO A 125 -0.268 -15.353 -1.302 1.00 0.85 H new ATOM 0 HG3 PRO A 125 -0.031 -16.823 -0.379 1.00 0.85 H new ATOM 0 HD2 PRO A 125 -0.342 -14.497 0.944 1.00 0.76 H new ATOM 0 HD3 PRO A 125 0.842 -15.650 1.524 1.00 0.76 H new ATOM 1859 N VAL A 126 3.618 -13.677 -2.618 1.00 0.93 N ATOM 1860 CA VAL A 126 3.851 -12.691 -3.653 1.00 0.86 C ATOM 1861 C VAL A 126 2.658 -12.558 -4.594 1.00 0.82 C ATOM 1862 O VAL A 126 2.146 -13.534 -5.141 1.00 1.19 O ATOM 1863 CB VAL A 126 5.193 -12.859 -4.376 1.00 0.97 C ATOM 1864 CG1 VAL A 126 6.369 -12.828 -3.395 1.00 1.08 C ATOM 1865 CG2 VAL A 126 5.283 -14.170 -5.169 1.00 1.14 C ATOM 0 H VAL A 126 4.347 -14.385 -2.533 1.00 0.93 H new ATOM 0 HA VAL A 126 3.944 -11.732 -3.143 1.00 0.86 H new ATOM 0 HB VAL A 126 5.250 -12.018 -5.067 1.00 0.97 H new ATOM 0 HG11 VAL A 126 7.303 -12.950 -3.943 1.00 1.08 H new ATOM 0 HG12 VAL A 126 6.379 -11.873 -2.869 1.00 1.08 H new ATOM 0 HG13 VAL A 126 6.263 -13.639 -2.674 1.00 1.08 H new ATOM 0 HG21 VAL A 126 6.255 -14.233 -5.659 1.00 1.14 H new ATOM 0 HG22 VAL A 126 5.163 -15.015 -4.490 1.00 1.14 H new ATOM 0 HG23 VAL A 126 4.495 -14.195 -5.922 1.00 1.14 H new ATOM 1875 N GLY A 127 2.192 -11.324 -4.737 1.00 0.74 N ATOM 1876 CA GLY A 127 1.023 -11.007 -5.520 1.00 0.77 C ATOM 1877 C GLY A 127 1.392 -10.770 -6.975 1.00 0.80 C ATOM 1878 O GLY A 127 2.555 -10.583 -7.328 1.00 1.03 O ATOM 0 H GLY A 127 2.627 -10.510 -4.303 1.00 0.74 H new ATOM 0 HA2 GLY A 127 0.303 -11.822 -5.452 1.00 0.77 H new ATOM 0 HA3 GLY A 127 0.539 -10.119 -5.114 1.00 0.77 H new ATOM 1882 N ASN A 128 0.374 -10.753 -7.833 1.00 0.82 N ATOM 1883 CA ASN A 128 0.487 -10.514 -9.269 1.00 0.96 C ATOM 1884 C ASN A 128 1.346 -11.562 -9.978 1.00 1.16 C ATOM 1885 O ASN A 128 1.882 -11.312 -11.057 1.00 1.41 O ATOM 1886 CB ASN A 128 0.990 -9.089 -9.541 1.00 1.01 C ATOM 1887 CG ASN A 128 0.197 -8.461 -10.675 1.00 1.41 C ATOM 1888 OD1 ASN A 128 -0.164 -7.198 -10.518 1.00 2.19 O flip ATOM 1889 ND2 ASN A 128 -0.176 -9.111 -11.648 1.00 1.79 N flip ATOM 0 H ASN A 128 -0.589 -10.911 -7.535 1.00 0.82 H new ATOM 0 HA ASN A 128 -0.513 -10.611 -9.691 1.00 0.96 H new ATOM 0 HB2 ASN A 128 0.893 -8.483 -8.640 1.00 1.01 H new ATOM 0 HB3 ASN A 128 2.049 -9.112 -9.797 1.00 1.01 H new ATOM 0 HD21 ASN A 128 0.112 -10.084 -11.752 1.00 1.79 H new ATOM 0 HD22 ASN A 128 -0.774 -8.678 -12.352 1.00 1.79 H new ATOM 1896 N TRP A 129 1.521 -12.717 -9.344 1.00 1.11 N ATOM 1897 CA TRP A 129 2.529 -13.698 -9.696 1.00 1.14 C ATOM 1898 C TRP A 129 1.878 -14.759 -10.602 1.00 1.26 C ATOM 1899 O TRP A 129 0.732 -14.584 -11.024 1.00 1.42 O ATOM 1900 CB TRP A 129 3.156 -14.156 -8.367 1.00 1.05 C ATOM 1901 CG TRP A 129 3.440 -15.588 -8.094 1.00 1.09 C ATOM 1902 CD1 TRP A 129 2.542 -16.517 -7.711 1.00 1.26 C ATOM 1903 CD2 TRP A 129 4.746 -16.225 -8.020 1.00 1.17 C ATOM 1904 NE1 TRP A 129 3.197 -17.710 -7.482 1.00 1.39 N ATOM 1905 CE2 TRP A 129 4.560 -17.586 -7.650 1.00 1.33 C ATOM 1906 CE3 TRP A 129 6.073 -15.779 -8.203 1.00 1.30 C ATOM 1907 CZ2 TRP A 129 5.635 -18.471 -7.512 1.00 1.52 C ATOM 1908 CZ3 TRP A 129 7.163 -16.646 -8.008 1.00 1.53 C ATOM 1909 CH2 TRP A 129 6.943 -17.999 -7.701 1.00 1.59 C ATOM 0 H TRP A 129 0.947 -13.000 -8.550 1.00 1.11 H new ATOM 0 HA TRP A 129 3.360 -13.335 -10.301 1.00 1.14 H new ATOM 0 HB2 TRP A 129 4.099 -13.621 -8.261 1.00 1.05 H new ATOM 0 HB3 TRP A 129 2.500 -13.806 -7.570 1.00 1.05 H new ATOM 0 HD1 TRP A 129 1.480 -16.354 -7.601 1.00 1.26 H new ATOM 0 HE1 TRP A 129 2.730 -18.578 -7.220 1.00 1.39 H new ATOM 0 HE3 TRP A 129 6.254 -14.756 -8.497 1.00 1.30 H new ATOM 0 HZ2 TRP A 129 5.460 -19.507 -7.263 1.00 1.52 H new ATOM 0 HZ3 TRP A 129 8.172 -16.271 -8.095 1.00 1.53 H new ATOM 0 HH2 TRP A 129 7.780 -18.676 -7.610 1.00 1.59 H new ATOM 1920 N ILE A 130 2.607 -15.809 -10.977 1.00 1.59 N ATOM 1921 CA ILE A 130 2.136 -16.831 -11.909 1.00 1.65 C ATOM 1922 C ILE A 130 1.340 -17.931 -11.192 1.00 1.73 C ATOM 1923 O ILE A 130 1.482 -18.117 -9.989 1.00 1.99 O ATOM 1924 CB ILE A 130 3.327 -17.354 -12.749 1.00 2.06 C ATOM 1925 CG1 ILE A 130 3.001 -17.244 -14.249 1.00 2.29 C ATOM 1926 CG2 ILE A 130 3.805 -18.757 -12.342 1.00 2.38 C ATOM 1927 CD1 ILE A 130 4.185 -17.615 -15.147 1.00 3.16 C ATOM 0 H ILE A 130 3.554 -15.976 -10.637 1.00 1.59 H new ATOM 0 HA ILE A 130 1.424 -16.391 -12.607 1.00 1.65 H new ATOM 0 HB ILE A 130 4.181 -16.712 -12.536 1.00 2.06 H new ATOM 0 HG12 ILE A 130 2.158 -17.895 -14.481 1.00 2.29 H new ATOM 0 HG13 ILE A 130 2.687 -16.225 -14.473 1.00 2.29 H new ATOM 0 HG21 ILE A 130 4.641 -19.054 -12.975 1.00 2.38 H new ATOM 0 HG22 ILE A 130 4.125 -18.744 -11.300 1.00 2.38 H new ATOM 0 HG23 ILE A 130 2.988 -19.469 -12.462 1.00 2.38 H new ATOM 0 HD11 ILE A 130 3.893 -17.518 -16.193 1.00 3.16 H new ATOM 0 HD12 ILE A 130 5.022 -16.948 -14.940 1.00 3.16 H new ATOM 0 HD13 ILE A 130 4.484 -18.644 -14.948 1.00 3.16 H new ATOM 1939 N GLY A 131 0.511 -18.661 -11.946 1.00 1.82 N ATOM 1940 CA GLY A 131 -0.189 -19.860 -11.488 1.00 2.17 C ATOM 1941 C GLY A 131 -0.910 -19.661 -10.154 1.00 1.93 C ATOM 1942 O GLY A 131 -0.832 -20.500 -9.251 1.00 2.60 O ATOM 0 H GLY A 131 0.305 -18.426 -12.917 1.00 1.82 H new ATOM 0 HA2 GLY A 131 -0.914 -20.162 -12.244 1.00 2.17 H new ATOM 0 HA3 GLY A 131 0.527 -20.676 -11.389 1.00 2.17 H new ATOM 1946 N GLN A 132 -1.574 -18.516 -10.009 1.00 1.60 N ATOM 1947 CA GLN A 132 -2.222 -18.109 -8.781 1.00 1.38 C ATOM 1948 C GLN A 132 -3.322 -17.113 -9.157 1.00 1.30 C ATOM 1949 O GLN A 132 -3.082 -16.207 -9.954 1.00 2.01 O ATOM 1950 CB GLN A 132 -1.134 -17.565 -7.846 1.00 1.47 C ATOM 1951 CG GLN A 132 -1.501 -17.623 -6.367 1.00 1.69 C ATOM 1952 CD GLN A 132 -0.373 -17.063 -5.507 1.00 1.54 C ATOM 1953 OE1 GLN A 132 -0.494 -15.974 -4.964 1.00 2.52 O ATOM 1954 NE2 GLN A 132 0.742 -17.770 -5.382 1.00 1.78 N ATOM 0 H GLN A 132 -1.674 -17.836 -10.763 1.00 1.60 H new ATOM 0 HA GLN A 132 -2.712 -18.918 -8.239 1.00 1.38 H new ATOM 0 HB2 GLN A 132 -0.217 -18.132 -8.005 1.00 1.47 H new ATOM 0 HB3 GLN A 132 -0.921 -16.531 -8.117 1.00 1.47 H new ATOM 0 HG2 GLN A 132 -2.414 -17.055 -6.192 1.00 1.69 H new ATOM 0 HG3 GLN A 132 -1.707 -18.654 -6.079 1.00 1.69 H new ATOM 0 HE21 GLN A 132 0.825 -18.677 -5.842 1.00 1.78 H new ATOM 0 HE22 GLN A 132 1.516 -17.407 -4.826 1.00 1.78 H new ATOM 1963 N ARG A 133 -4.541 -17.307 -8.656 1.00 1.55 N ATOM 1964 CA ARG A 133 -5.686 -16.476 -9.008 1.00 1.53 C ATOM 1965 C ARG A 133 -5.602 -15.129 -8.279 1.00 1.16 C ATOM 1966 O ARG A 133 -5.288 -15.132 -7.084 1.00 1.10 O ATOM 1967 CB ARG A 133 -6.995 -17.176 -8.600 1.00 1.87 C ATOM 1968 CG ARG A 133 -7.936 -17.467 -9.770 1.00 2.37 C ATOM 1969 CD ARG A 133 -7.456 -18.650 -10.621 1.00 2.44 C ATOM 1970 NE ARG A 133 -8.408 -18.910 -11.713 1.00 2.92 N ATOM 1971 CZ ARG A 133 -8.565 -18.113 -12.781 1.00 3.63 C ATOM 1972 NH1 ARG A 133 -7.635 -17.183 -13.013 1.00 4.17 N ATOM 1973 NH2 ARG A 133 -9.626 -18.260 -13.576 1.00 4.73 N ATOM 0 H ARG A 133 -4.761 -18.049 -7.992 1.00 1.55 H new ATOM 0 HA ARG A 133 -5.675 -16.315 -10.086 1.00 1.53 H new ATOM 0 HB2 ARG A 133 -6.753 -18.114 -8.100 1.00 1.87 H new ATOM 0 HB3 ARG A 133 -7.517 -16.553 -7.874 1.00 1.87 H new ATOM 0 HG2 ARG A 133 -8.934 -17.679 -9.387 1.00 2.37 H new ATOM 0 HG3 ARG A 133 -8.017 -16.580 -10.398 1.00 2.37 H new ATOM 0 HD2 ARG A 133 -6.470 -18.435 -11.032 1.00 2.44 H new ATOM 0 HD3 ARG A 133 -7.355 -19.538 -9.998 1.00 2.44 H new ATOM 0 HE ARG A 133 -8.985 -19.749 -11.654 1.00 2.92 H new ATOM 0 HH11 ARG A 133 -6.835 -17.095 -12.387 1.00 4.17 H new ATOM 0 HH12 ARG A 133 -7.725 -16.561 -13.817 1.00 4.17 H new ATOM 0 HH21 ARG A 133 -10.320 -18.979 -13.373 1.00 4.73 H new ATOM 0 HH22 ARG A 133 -9.743 -17.653 -14.387 1.00 4.73 H new ATOM 1987 N PRO A 134 -5.932 -14.010 -8.946 1.00 1.04 N ATOM 1988 CA PRO A 134 -6.133 -12.734 -8.285 1.00 0.82 C ATOM 1989 C PRO A 134 -7.411 -12.717 -7.447 1.00 0.81 C ATOM 1990 O PRO A 134 -7.389 -12.235 -6.321 1.00 0.80 O ATOM 1991 CB PRO A 134 -6.211 -11.676 -9.392 1.00 0.90 C ATOM 1992 CG PRO A 134 -6.508 -12.449 -10.678 1.00 1.09 C ATOM 1993 CD PRO A 134 -6.118 -13.899 -10.385 1.00 1.24 C ATOM 0 HA PRO A 134 -5.312 -12.539 -7.595 1.00 0.82 H new ATOM 0 HB2 PRO A 134 -6.994 -10.947 -9.183 1.00 0.90 H new ATOM 0 HB3 PRO A 134 -5.275 -11.124 -9.474 1.00 0.90 H new ATOM 0 HG2 PRO A 134 -7.562 -12.373 -10.947 1.00 1.09 H new ATOM 0 HG3 PRO A 134 -5.936 -12.051 -11.516 1.00 1.09 H new ATOM 0 HD2 PRO A 134 -6.895 -14.583 -10.727 1.00 1.24 H new ATOM 0 HD3 PRO A 134 -5.203 -14.166 -10.913 1.00 1.24 H new ATOM 2001 N TYR A 135 -8.523 -13.175 -8.013 1.00 0.96 N ATOM 2002 CA TYR A 135 -9.867 -13.040 -7.478 1.00 0.92 C ATOM 2003 C TYR A 135 -10.692 -14.227 -7.962 1.00 1.22 C ATOM 2004 O TYR A 135 -10.148 -14.967 -8.812 1.00 1.40 O ATOM 2005 CB TYR A 135 -10.515 -11.690 -7.862 1.00 0.70 C ATOM 2006 CG TYR A 135 -10.655 -11.302 -9.327 1.00 0.70 C ATOM 2007 CD1 TYR A 135 -10.157 -12.097 -10.374 1.00 1.93 C ATOM 2008 CD2 TYR A 135 -11.328 -10.107 -9.643 1.00 1.74 C ATOM 2009 CE1 TYR A 135 -10.321 -11.698 -11.703 1.00 2.13 C ATOM 2010 CE2 TYR A 135 -11.587 -9.761 -10.980 1.00 1.76 C ATOM 2011 CZ TYR A 135 -11.113 -10.588 -12.007 1.00 1.25 C ATOM 2012 OH TYR A 135 -11.588 -10.472 -13.270 1.00 1.91 O ATOM 2013 OXT TYR A 135 -11.503 -14.692 -7.134 1.00 2.47 O ATOM 0 H TYR A 135 -8.507 -13.675 -8.902 1.00 0.96 H new ATOM 0 HA TYR A 135 -9.826 -13.042 -6.389 1.00 0.92 H new ATOM 0 HB2 TYR A 135 -11.514 -11.674 -7.426 1.00 0.70 H new ATOM 0 HB3 TYR A 135 -9.941 -10.904 -7.372 1.00 0.70 H new ATOM 0 HD1 TYR A 135 -9.645 -13.021 -10.150 1.00 1.93 H new ATOM 0 HD2 TYR A 135 -11.649 -9.449 -8.849 1.00 1.74 H new ATOM 0 HE1 TYR A 135 -9.835 -12.248 -12.496 1.00 2.13 H new ATOM 0 HE2 TYR A 135 -12.146 -8.867 -11.214 1.00 1.76 H new ATOM 0 HH TYR A 135 -11.901 -9.555 -13.419 1.00 1.91 H new