USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 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 101 ASN : amide:sc= 0.714 K(o=0.062,f=-0.74) USER MOD Set 1.2: A 132 GLN : amide:sc= -0.652 K(o=0.062,f=-2.2) USER MOD Set 2.1: A 95 THR OG1 : rot 144:sc= 1.47 USER MOD Set 2.2: A 128 ASN : amide:sc= 0.341 K(o=1.8,f=1.2) USER MOD Set 3.1: A 17 GLN : amide:sc= 0.846 K(o=0.68,f=-5.9!) USER MOD Set 3.2: A 78 TYR OH : rot 30:sc= -0.167 USER MOD Set 4.1: A 34 GLN : amide:sc= 0.533 K(o=0.54,f=-0.46) USER MOD Set 4.2: A 38 ASN :FLIP amide:sc= 0.00676 F(o=-0.036,f=0.54) USER MOD Set 5.1: A 23 MET CE :methyl -163:sc= -0.64 (180deg=-0.79) USER MOD Set 5.2: A 102 SER OG : rot 39:sc= 0.905 USER MOD Set 6.1: A 11 HIS : no HE2:sc= 1.38 K(o=3.7,f=-9.1!) USER MOD Set 6.2: A 54 ASN : amide:sc= 0.852 K(o=3.7,f=0.48!) USER MOD Set 6.3: A 93 HIS :FLIP no HD1:sc= -0.516 F(o=2,f=3.7) USER MOD Set 6.4: A 123 TYR OH : rot -160:sc= 2.01 USER MOD Set 7.1: A 1 GLN N :NH3+ -136:sc= 0.598 (180deg=-5.09!) USER MOD Set 7.2: A 3 SER OG : rot 135:sc= 2.29 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 2 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.43) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 12 ASN : amide:sc= 0.725 K(o=0.72,f=-5.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.46 K(o=0.46,f=-2.2!) USER MOD Single : A 31 SER OG : rot -64:sc= 1.2 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -76:sc= 1.2 USER MOD Single : A 45 ASN : amide:sc= 0.836 K(o=0.84,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -170:sc= 0.598 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 22:sc= 0.698 USER MOD Single : A 79 ASN : amide:sc= -0.434 K(o=-0.43,f=-5.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 83 ASN : amide:sc= 0.913 K(o=0.91,f=-7.3!) USER MOD Single : A 84 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.62) USER MOD Single : A 94 TYR OH : rot 92:sc= 1.69 USER MOD Single : A 96 GLN : amide:sc= -2.27 K(o=-2.3,f=-6.4!) USER MOD Single : A 120 SER OG : rot -144:sc= 0.511! USER MOD Single : A 122 ASN : amide:sc= 0.681 K(o=0.68,f=-1.3) USER MOD Single : A 135 TYR OH : rot -28:sc= 1.55 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.770 8.246 6.535 1.00 2.10 N ATOM 2 CA GLN A 1 -4.827 8.748 5.524 1.00 1.50 C ATOM 3 C GLN A 1 -3.433 8.106 5.635 1.00 1.55 C ATOM 4 O GLN A 1 -2.952 7.555 4.645 1.00 1.72 O ATOM 5 CB GLN A 1 -5.021 10.230 5.209 1.00 1.64 C ATOM 6 CG GLN A 1 -3.740 11.003 5.272 1.00 3.84 C ATOM 7 CD GLN A 1 -3.833 12.252 6.143 1.00 4.84 C ATOM 8 OE1 GLN A 1 -4.097 12.123 7.335 1.00 5.66 O ATOM 9 NE2 GLN A 1 -3.628 13.447 5.608 1.00 5.57 N ATOM 0 H1 GLN A 1 -6.689 8.054 6.088 1.00 2.10 H new ATOM 0 H2 GLN A 1 -5.398 7.369 6.952 1.00 2.10 H new ATOM 0 H3 GLN A 1 -5.891 8.960 7.282 1.00 2.10 H new ATOM 0 HA GLN A 1 -5.074 8.369 4.532 1.00 1.50 H new ATOM 0 HB2 GLN A 1 -5.455 10.333 4.214 1.00 1.64 H new ATOM 0 HB3 GLN A 1 -5.734 10.657 5.914 1.00 1.64 H new ATOM 0 HG2 GLN A 1 -2.952 10.357 5.658 1.00 3.84 H new ATOM 0 HG3 GLN A 1 -3.448 11.293 4.263 1.00 3.84 H new ATOM 0 HE21 GLN A 1 -3.410 13.531 4.615 1.00 5.57 H new ATOM 0 HE22 GLN A 1 -3.688 14.283 6.189 1.00 5.57 H new ATOM 20 N ASN A 2 -2.732 8.202 6.765 1.00 1.66 N ATOM 21 CA ASN A 2 -1.452 7.521 6.938 1.00 1.80 C ATOM 22 C ASN A 2 -1.706 6.609 8.118 1.00 1.66 C ATOM 23 O ASN A 2 -1.556 7.016 9.271 1.00 2.78 O ATOM 24 CB ASN A 2 -0.271 8.475 7.171 1.00 2.24 C ATOM 25 CG ASN A 2 -0.165 9.655 6.206 1.00 2.06 C ATOM 26 OD1 ASN A 2 0.314 10.719 6.580 1.00 3.37 O ATOM 27 ND2 ASN A 2 -0.615 9.521 4.962 1.00 2.61 N ATOM 0 H ASN A 2 -3.031 8.746 7.574 1.00 1.66 H new ATOM 0 HA ASN A 2 -1.147 6.985 6.039 1.00 1.80 H new ATOM 0 HB2 ASN A 2 -0.340 8.866 8.186 1.00 2.24 H new ATOM 0 HB3 ASN A 2 0.653 7.899 7.113 1.00 2.24 H new ATOM 0 HD21 ASN A 2 -0.562 10.306 4.313 1.00 2.61 H new ATOM 0 HD22 ASN A 2 -1.013 8.633 4.656 1.00 2.61 H new ATOM 34 N SER A 3 -2.276 5.447 7.824 1.00 1.28 N ATOM 35 CA SER A 3 -2.956 4.653 8.821 1.00 0.82 C ATOM 36 C SER A 3 -3.240 3.277 8.221 1.00 0.76 C ATOM 37 O SER A 3 -3.586 3.207 7.039 1.00 0.98 O ATOM 38 CB SER A 3 -4.233 5.398 9.224 1.00 0.99 C ATOM 39 OG SER A 3 -4.808 6.129 8.137 1.00 2.29 O ATOM 0 H SER A 3 -2.276 5.036 6.890 1.00 1.28 H new ATOM 0 HA SER A 3 -2.356 4.505 9.719 1.00 0.82 H new ATOM 0 HB2 SER A 3 -4.963 4.682 9.603 1.00 0.99 H new ATOM 0 HB3 SER A 3 -4.007 6.085 10.040 1.00 0.99 H new ATOM 0 HG SER A 3 -5.777 5.984 8.121 1.00 2.29 H new ATOM 45 N PRO A 4 -3.092 2.184 8.984 1.00 0.73 N ATOM 46 CA PRO A 4 -3.238 0.848 8.447 1.00 0.76 C ATOM 47 C PRO A 4 -4.668 0.645 7.959 1.00 0.64 C ATOM 48 O PRO A 4 -4.877 0.242 6.816 1.00 0.64 O ATOM 49 CB PRO A 4 -2.823 -0.100 9.573 1.00 0.91 C ATOM 50 CG PRO A 4 -3.044 0.698 10.850 1.00 0.93 C ATOM 51 CD PRO A 4 -2.768 2.138 10.399 1.00 0.84 C ATOM 0 HA PRO A 4 -2.611 0.660 7.575 1.00 0.76 H new ATOM 0 HB2 PRO A 4 -3.423 -1.010 9.566 1.00 0.91 H new ATOM 0 HB3 PRO A 4 -1.781 -0.404 9.471 1.00 0.91 H new ATOM 0 HG2 PRO A 4 -4.059 0.580 11.231 1.00 0.93 H new ATOM 0 HG3 PRO A 4 -2.367 0.386 11.645 1.00 0.93 H new ATOM 0 HD2 PRO A 4 -3.376 2.846 10.962 1.00 0.84 H new ATOM 0 HD3 PRO A 4 -1.726 2.407 10.569 1.00 0.84 H new ATOM 59 N GLN A 5 -5.646 0.990 8.803 1.00 0.58 N ATOM 60 CA GLN A 5 -7.063 0.904 8.484 1.00 0.57 C ATOM 61 C GLN A 5 -7.389 1.535 7.134 1.00 0.55 C ATOM 62 O GLN A 5 -8.273 1.031 6.457 1.00 0.66 O ATOM 63 CB GLN A 5 -7.888 1.579 9.599 1.00 0.57 C ATOM 64 CG GLN A 5 -7.748 3.110 9.632 1.00 1.96 C ATOM 65 CD GLN A 5 -8.480 3.770 10.797 1.00 2.88 C ATOM 66 OE1 GLN A 5 -9.318 4.647 10.597 1.00 4.07 O ATOM 67 NE2 GLN A 5 -8.145 3.399 12.020 1.00 3.55 N ATOM 0 H GLN A 5 -5.465 1.343 9.743 1.00 0.58 H new ATOM 0 HA GLN A 5 -7.324 -0.152 8.418 1.00 0.57 H new ATOM 0 HB2 GLN A 5 -8.939 1.322 9.467 1.00 0.57 H new ATOM 0 HB3 GLN A 5 -7.579 1.174 10.563 1.00 0.57 H new ATOM 0 HG2 GLN A 5 -6.690 3.368 9.687 1.00 1.96 H new ATOM 0 HG3 GLN A 5 -8.128 3.521 8.697 1.00 1.96 H new ATOM 0 HE21 GLN A 5 -7.447 2.669 12.158 1.00 3.55 H new ATOM 0 HE22 GLN A 5 -8.585 3.843 12.826 1.00 3.55 H new ATOM 76 N ASP A 6 -6.725 2.632 6.750 1.00 0.55 N ATOM 77 CA ASP A 6 -7.042 3.344 5.516 1.00 0.61 C ATOM 78 C ASP A 6 -6.623 2.508 4.326 1.00 0.54 C ATOM 79 O ASP A 6 -7.423 2.270 3.422 1.00 0.65 O ATOM 80 CB ASP A 6 -6.342 4.702 5.433 1.00 0.75 C ATOM 81 CG ASP A 6 -7.181 5.781 6.056 1.00 1.04 C ATOM 82 OD1 ASP A 6 -7.286 5.791 7.297 1.00 2.02 O ATOM 83 OD2 ASP A 6 -7.578 6.711 5.325 1.00 1.92 O ATOM 0 H ASP A 6 -5.960 3.045 7.284 1.00 0.55 H new ATOM 0 HA ASP A 6 -8.118 3.517 5.510 1.00 0.61 H new ATOM 0 HB2 ASP A 6 -5.378 4.649 5.938 1.00 0.75 H new ATOM 0 HB3 ASP A 6 -6.142 4.949 4.390 1.00 0.75 H new ATOM 88 N TYR A 7 -5.362 2.065 4.314 1.00 0.41 N ATOM 89 CA TYR A 7 -4.911 1.183 3.255 1.00 0.40 C ATOM 90 C TYR A 7 -5.859 -0.002 3.204 1.00 0.37 C ATOM 91 O TYR A 7 -6.462 -0.277 2.169 1.00 0.37 O ATOM 92 CB TYR A 7 -3.482 0.706 3.516 1.00 0.47 C ATOM 93 CG TYR A 7 -2.441 1.769 3.276 1.00 0.62 C ATOM 94 CD1 TYR A 7 -2.067 2.092 1.963 1.00 1.84 C ATOM 95 CD2 TYR A 7 -1.803 2.395 4.358 1.00 2.12 C ATOM 96 CE1 TYR A 7 -1.157 3.130 1.724 1.00 2.14 C ATOM 97 CE2 TYR A 7 -0.766 3.306 4.120 1.00 2.22 C ATOM 98 CZ TYR A 7 -0.459 3.691 2.807 1.00 1.42 C ATOM 99 OH TYR A 7 0.538 4.587 2.587 1.00 1.92 O ATOM 0 H TYR A 7 -4.656 2.301 5.012 1.00 0.41 H new ATOM 0 HA TYR A 7 -4.910 1.714 2.303 1.00 0.40 H new ATOM 0 HB2 TYR A 7 -3.405 0.360 4.547 1.00 0.47 H new ATOM 0 HB3 TYR A 7 -3.270 -0.150 2.875 1.00 0.47 H new ATOM 0 HD1 TYR A 7 -2.482 1.539 1.134 1.00 1.84 H new ATOM 0 HD2 TYR A 7 -2.110 2.175 5.370 1.00 2.12 H new ATOM 0 HE1 TYR A 7 -0.994 3.494 0.720 1.00 2.14 H new ATOM 0 HE2 TYR A 7 -0.203 3.712 4.948 1.00 2.22 H new ATOM 0 HH TYR A 7 0.914 4.875 3.445 1.00 1.92 H new ATOM 109 N LEU A 8 -6.004 -0.671 4.340 1.00 0.35 N ATOM 110 CA LEU A 8 -6.888 -1.803 4.503 1.00 0.31 C ATOM 111 C LEU A 8 -8.310 -1.500 4.024 1.00 0.29 C ATOM 112 O LEU A 8 -8.936 -2.362 3.416 1.00 0.37 O ATOM 113 CB LEU A 8 -6.821 -2.267 5.964 1.00 0.29 C ATOM 114 CG LEU A 8 -5.583 -3.145 6.230 1.00 0.34 C ATOM 115 CD1 LEU A 8 -5.676 -3.740 7.633 1.00 0.45 C ATOM 116 CD2 LEU A 8 -5.397 -4.327 5.265 1.00 0.72 C ATOM 0 H LEU A 8 -5.495 -0.431 5.191 1.00 0.35 H new ATOM 0 HA LEU A 8 -6.557 -2.624 3.866 1.00 0.31 H new ATOM 0 HB2 LEU A 8 -6.798 -1.397 6.621 1.00 0.29 H new ATOM 0 HB3 LEU A 8 -7.723 -2.827 6.209 1.00 0.29 H new ATOM 0 HG LEU A 8 -4.735 -2.473 6.095 1.00 0.34 H new ATOM 0 HD11 LEU A 8 -4.801 -4.362 7.823 1.00 0.45 H new ATOM 0 HD12 LEU A 8 -5.716 -2.936 8.367 1.00 0.45 H new ATOM 0 HD13 LEU A 8 -6.577 -4.348 7.711 1.00 0.45 H new ATOM 0 HD21 LEU A 8 -4.499 -4.881 5.537 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -6.263 -4.986 5.326 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -5.297 -3.953 4.246 1.00 0.72 H new ATOM 128 N ALA A 9 -8.815 -0.287 4.239 1.00 0.28 N ATOM 129 CA ALA A 9 -10.168 0.096 3.878 1.00 0.29 C ATOM 130 C ALA A 9 -10.314 0.150 2.367 1.00 0.29 C ATOM 131 O ALA A 9 -11.222 -0.477 1.826 1.00 0.37 O ATOM 132 CB ALA A 9 -10.562 1.435 4.506 1.00 0.36 C ATOM 0 H ALA A 9 -8.283 0.465 4.676 1.00 0.28 H new ATOM 0 HA ALA A 9 -10.846 -0.662 4.271 1.00 0.29 H new ATOM 0 HB1 ALA A 9 -11.581 1.688 4.213 1.00 0.36 H new ATOM 0 HB2 ALA A 9 -10.505 1.358 5.592 1.00 0.36 H new ATOM 0 HB3 ALA A 9 -9.881 2.213 4.161 1.00 0.36 H new ATOM 138 N VAL A 10 -9.436 0.878 1.676 1.00 0.28 N ATOM 139 CA VAL A 10 -9.497 0.961 0.218 1.00 0.30 C ATOM 140 C VAL A 10 -9.262 -0.434 -0.375 1.00 0.29 C ATOM 141 O VAL A 10 -9.915 -0.856 -1.327 1.00 0.31 O ATOM 142 CB VAL A 10 -8.497 1.995 -0.324 1.00 0.32 C ATOM 143 CG1 VAL A 10 -8.677 2.136 -1.844 1.00 0.37 C ATOM 144 CG2 VAL A 10 -8.718 3.379 0.300 1.00 0.35 C ATOM 0 H VAL A 10 -8.679 1.415 2.100 1.00 0.28 H new ATOM 0 HA VAL A 10 -10.486 1.305 -0.084 1.00 0.30 H new ATOM 0 HB VAL A 10 -7.497 1.643 -0.072 1.00 0.32 H new ATOM 0 HG11 VAL A 10 -7.968 2.869 -2.228 1.00 0.37 H new ATOM 0 HG12 VAL A 10 -8.498 1.173 -2.322 1.00 0.37 H new ATOM 0 HG13 VAL A 10 -9.693 2.466 -2.061 1.00 0.37 H new ATOM 0 HG21 VAL A 10 -7.992 4.082 -0.108 1.00 0.35 H new ATOM 0 HG22 VAL A 10 -9.726 3.724 0.071 1.00 0.35 H new ATOM 0 HG23 VAL A 10 -8.593 3.315 1.381 1.00 0.35 H new ATOM 154 N HIS A 11 -8.321 -1.176 0.203 1.00 0.29 N ATOM 155 CA HIS A 11 -8.057 -2.554 -0.173 1.00 0.32 C ATOM 156 C HIS A 11 -9.322 -3.406 -0.055 1.00 0.30 C ATOM 157 O HIS A 11 -9.666 -4.165 -0.960 1.00 0.35 O ATOM 158 CB HIS A 11 -6.930 -3.088 0.717 1.00 0.46 C ATOM 159 CG HIS A 11 -5.561 -2.748 0.206 1.00 0.38 C ATOM 160 ND1 HIS A 11 -4.954 -1.525 0.306 1.00 0.40 N ATOM 161 CD2 HIS A 11 -4.723 -3.569 -0.496 1.00 0.38 C ATOM 162 CE1 HIS A 11 -3.772 -1.604 -0.313 1.00 0.44 C ATOM 163 NE2 HIS A 11 -3.594 -2.823 -0.845 1.00 0.42 N ATOM 0 H HIS A 11 -7.718 -0.832 0.950 1.00 0.29 H new ATOM 0 HA HIS A 11 -7.746 -2.603 -1.217 1.00 0.32 H new ATOM 0 HB2 HIS A 11 -7.047 -2.682 1.722 1.00 0.46 H new ATOM 0 HB3 HIS A 11 -7.022 -4.171 0.798 1.00 0.46 H new ATOM 0 HD1 HIS A 11 -5.336 -0.701 0.770 1.00 0.40 H new ATOM 0 HD2 HIS A 11 -4.901 -4.607 -0.737 1.00 0.38 H new ATOM 0 HE1 HIS A 11 -3.057 -0.797 -0.376 1.00 0.44 H new ATOM 171 N ASN A 12 -9.993 -3.315 1.090 1.00 0.33 N ATOM 172 CA ASN A 12 -11.234 -4.030 1.336 1.00 0.43 C ATOM 173 C ASN A 12 -12.293 -3.549 0.352 1.00 0.50 C ATOM 174 O ASN A 12 -13.053 -4.364 -0.142 1.00 0.58 O ATOM 175 CB ASN A 12 -11.717 -3.855 2.789 1.00 0.58 C ATOM 176 CG ASN A 12 -11.051 -4.824 3.763 1.00 0.74 C ATOM 177 OD1 ASN A 12 -10.875 -5.998 3.446 1.00 1.32 O ATOM 178 ND2 ASN A 12 -10.634 -4.368 4.935 1.00 0.85 N ATOM 0 H ASN A 12 -9.687 -2.740 1.875 1.00 0.33 H new ATOM 0 HA ASN A 12 -11.055 -5.095 1.188 1.00 0.43 H new ATOM 0 HB2 ASN A 12 -11.519 -2.833 3.111 1.00 0.58 H new ATOM 0 HB3 ASN A 12 -12.797 -3.997 2.826 1.00 0.58 H new ATOM 0 HD21 ASN A 12 -10.160 -4.994 5.587 1.00 0.85 H new ATOM 0 HD22 ASN A 12 -10.786 -3.391 5.186 1.00 0.85 H new ATOM 185 N ASP A 13 -12.325 -2.253 0.032 1.00 0.54 N ATOM 186 CA ASP A 13 -13.175 -1.684 -1.012 1.00 0.64 C ATOM 187 C ASP A 13 -13.034 -2.429 -2.329 1.00 0.58 C ATOM 188 O ASP A 13 -13.996 -2.983 -2.851 1.00 0.68 O ATOM 189 CB ASP A 13 -12.875 -0.191 -1.209 1.00 0.75 C ATOM 190 CG ASP A 13 -14.080 0.696 -1.363 1.00 1.02 C ATOM 191 OD1 ASP A 13 -15.126 0.409 -0.745 1.00 1.40 O ATOM 192 OD2 ASP A 13 -13.966 1.670 -2.134 1.00 2.29 O ATOM 0 H ASP A 13 -11.747 -1.556 0.503 1.00 0.54 H new ATOM 0 HA ASP A 13 -14.207 -1.794 -0.679 1.00 0.64 H new ATOM 0 HB2 ASP A 13 -12.293 0.160 -0.357 1.00 0.75 H new ATOM 0 HB3 ASP A 13 -12.247 -0.078 -2.092 1.00 0.75 H new ATOM 197 N ALA A 14 -11.816 -2.448 -2.865 1.00 0.46 N ATOM 198 CA ALA A 14 -11.520 -3.161 -4.095 1.00 0.41 C ATOM 199 C ALA A 14 -12.026 -4.601 -3.993 1.00 0.34 C ATOM 200 O ALA A 14 -12.746 -5.082 -4.862 1.00 0.48 O ATOM 201 CB ALA A 14 -10.018 -3.087 -4.368 1.00 0.50 C ATOM 0 H ALA A 14 -11.012 -1.970 -2.457 1.00 0.46 H new ATOM 0 HA ALA A 14 -12.034 -2.700 -4.938 1.00 0.41 H new ATOM 0 HB1 ALA A 14 -9.789 -3.621 -5.290 1.00 0.50 H new ATOM 0 HB2 ALA A 14 -9.717 -2.044 -4.468 1.00 0.50 H new ATOM 0 HB3 ALA A 14 -9.475 -3.543 -3.541 1.00 0.50 H new ATOM 207 N ARG A 15 -11.679 -5.294 -2.911 1.00 0.31 N ATOM 208 CA ARG A 15 -12.108 -6.672 -2.728 1.00 0.46 C ATOM 209 C ARG A 15 -13.627 -6.815 -2.612 1.00 0.57 C ATOM 210 O ARG A 15 -14.190 -7.776 -3.127 1.00 0.66 O ATOM 211 CB ARG A 15 -11.360 -7.293 -1.555 1.00 0.49 C ATOM 212 CG ARG A 15 -9.900 -7.498 -1.966 1.00 0.55 C ATOM 213 CD ARG A 15 -9.152 -8.343 -0.950 1.00 1.01 C ATOM 214 NE ARG A 15 -9.254 -7.744 0.372 1.00 2.11 N ATOM 215 CZ ARG A 15 -8.464 -6.744 0.771 1.00 3.04 C ATOM 216 NH1 ARG A 15 -7.479 -6.340 -0.037 1.00 2.94 N ATOM 217 NH2 ARG A 15 -8.639 -6.182 1.968 1.00 4.97 N ATOM 0 H ARG A 15 -11.105 -4.924 -2.153 1.00 0.31 H new ATOM 0 HA ARG A 15 -11.849 -7.230 -3.628 1.00 0.46 H new ATOM 0 HB2 ARG A 15 -11.420 -6.645 -0.681 1.00 0.49 H new ATOM 0 HB3 ARG A 15 -11.813 -8.245 -1.278 1.00 0.49 H new ATOM 0 HG2 ARG A 15 -9.860 -7.980 -2.943 1.00 0.55 H new ATOM 0 HG3 ARG A 15 -9.410 -6.530 -2.068 1.00 0.55 H new ATOM 0 HD2 ARG A 15 -9.562 -9.353 -0.933 1.00 1.01 H new ATOM 0 HD3 ARG A 15 -8.104 -8.430 -1.238 1.00 1.01 H new ATOM 0 HE ARG A 15 -9.956 -8.102 1.019 1.00 2.11 H new ATOM 0 HH11 ARG A 15 -7.342 -6.794 -0.940 1.00 2.94 H new ATOM 0 HH12 ARG A 15 -6.865 -5.578 0.249 1.00 2.94 H new ATOM 0 HH21 ARG A 15 -9.380 -6.516 2.585 1.00 4.97 H new ATOM 0 HH22 ARG A 15 -8.032 -5.419 2.267 1.00 4.97 H new ATOM 231 N ALA A 16 -14.310 -5.866 -1.984 1.00 0.68 N ATOM 232 CA ALA A 16 -15.760 -5.834 -1.933 1.00 0.84 C ATOM 233 C ALA A 16 -16.287 -5.755 -3.364 1.00 0.81 C ATOM 234 O ALA A 16 -17.206 -6.477 -3.744 1.00 0.93 O ATOM 235 CB ALA A 16 -16.224 -4.643 -1.084 1.00 0.98 C ATOM 0 H ALA A 16 -13.865 -5.091 -1.492 1.00 0.68 H new ATOM 0 HA ALA A 16 -16.154 -6.736 -1.464 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -17.313 -4.624 -1.049 1.00 0.98 H new ATOM 0 HB2 ALA A 16 -15.830 -4.742 -0.072 1.00 0.98 H new ATOM 0 HB3 ALA A 16 -15.859 -3.716 -1.527 1.00 0.98 H new ATOM 241 N GLN A 17 -15.679 -4.894 -4.178 1.00 0.72 N ATOM 242 CA GLN A 17 -16.124 -4.646 -5.537 1.00 0.79 C ATOM 243 C GLN A 17 -16.099 -5.899 -6.412 1.00 0.81 C ATOM 244 O GLN A 17 -16.940 -6.019 -7.300 1.00 1.05 O ATOM 245 CB GLN A 17 -15.349 -3.483 -6.164 1.00 0.81 C ATOM 246 CG GLN A 17 -15.612 -2.155 -5.441 1.00 1.16 C ATOM 247 CD GLN A 17 -14.454 -1.166 -5.573 1.00 1.90 C ATOM 248 OE1 GLN A 17 -13.604 -1.264 -6.458 1.00 3.08 O ATOM 249 NE2 GLN A 17 -14.409 -0.169 -4.703 1.00 2.11 N ATOM 0 H GLN A 17 -14.861 -4.349 -3.907 1.00 0.72 H new ATOM 0 HA GLN A 17 -17.172 -4.353 -5.480 1.00 0.79 H new ATOM 0 HB2 GLN A 17 -14.282 -3.704 -6.138 1.00 0.81 H new ATOM 0 HB3 GLN A 17 -15.629 -3.385 -7.213 1.00 0.81 H new ATOM 0 HG2 GLN A 17 -16.518 -1.702 -5.843 1.00 1.16 H new ATOM 0 HG3 GLN A 17 -15.796 -2.352 -4.385 1.00 1.16 H new ATOM 0 HE21 GLN A 17 -15.118 -0.096 -3.973 1.00 2.11 H new ATOM 0 HE22 GLN A 17 -13.665 0.527 -4.762 1.00 2.11 H new ATOM 258 N VAL A 18 -15.168 -6.825 -6.195 1.00 0.67 N ATOM 259 CA VAL A 18 -15.130 -8.088 -6.933 1.00 0.70 C ATOM 260 C VAL A 18 -15.863 -9.205 -6.188 1.00 1.02 C ATOM 261 O VAL A 18 -16.430 -10.098 -6.819 1.00 1.86 O ATOM 262 CB VAL A 18 -13.683 -8.486 -7.264 1.00 0.54 C ATOM 263 CG1 VAL A 18 -13.152 -7.646 -8.420 1.00 0.91 C ATOM 264 CG2 VAL A 18 -12.720 -8.272 -6.103 1.00 0.68 C ATOM 0 H VAL A 18 -14.422 -6.723 -5.507 1.00 0.67 H new ATOM 0 HA VAL A 18 -15.659 -7.935 -7.874 1.00 0.70 H new ATOM 0 HB VAL A 18 -13.726 -9.547 -7.509 1.00 0.54 H new ATOM 0 HG11 VAL A 18 -12.126 -7.940 -8.642 1.00 0.91 H new ATOM 0 HG12 VAL A 18 -13.774 -7.805 -9.301 1.00 0.91 H new ATOM 0 HG13 VAL A 18 -13.176 -6.592 -8.145 1.00 0.91 H new ATOM 0 HG21 VAL A 18 -11.716 -8.573 -6.403 1.00 0.68 H new ATOM 0 HG22 VAL A 18 -12.715 -7.218 -5.824 1.00 0.68 H new ATOM 0 HG23 VAL A 18 -13.039 -8.872 -5.251 1.00 0.68 H new ATOM 274 N GLY A 19 -15.845 -9.178 -4.860 1.00 0.67 N ATOM 275 CA GLY A 19 -16.196 -10.320 -4.042 1.00 0.73 C ATOM 276 C GLY A 19 -14.937 -11.152 -3.828 1.00 0.81 C ATOM 277 O GLY A 19 -14.832 -12.277 -4.312 1.00 1.38 O ATOM 0 H GLY A 19 -15.583 -8.352 -4.321 1.00 0.67 H new ATOM 0 HA2 GLY A 19 -16.603 -9.993 -3.085 1.00 0.73 H new ATOM 0 HA3 GLY A 19 -16.968 -10.915 -4.530 1.00 0.73 H new ATOM 281 N VAL A 20 -13.972 -10.578 -3.114 1.00 0.56 N ATOM 282 CA VAL A 20 -12.873 -11.272 -2.463 1.00 0.63 C ATOM 283 C VAL A 20 -12.961 -10.851 -0.986 1.00 0.82 C ATOM 284 O VAL A 20 -13.500 -9.783 -0.686 1.00 0.91 O ATOM 285 CB VAL A 20 -11.529 -10.895 -3.125 1.00 0.56 C ATOM 286 CG1 VAL A 20 -10.345 -11.561 -2.412 1.00 0.82 C ATOM 287 CG2 VAL A 20 -11.454 -11.288 -4.607 1.00 0.57 C ATOM 0 H VAL A 20 -13.937 -9.569 -2.969 1.00 0.56 H new ATOM 0 HA VAL A 20 -12.935 -12.356 -2.554 1.00 0.63 H new ATOM 0 HB VAL A 20 -11.472 -9.810 -3.041 1.00 0.56 H new ATOM 0 HG11 VAL A 20 -9.416 -11.274 -2.904 1.00 0.82 H new ATOM 0 HG12 VAL A 20 -10.319 -11.239 -1.371 1.00 0.82 H new ATOM 0 HG13 VAL A 20 -10.458 -12.644 -2.454 1.00 0.82 H new ATOM 0 HG21 VAL A 20 -10.485 -10.996 -5.012 1.00 0.57 H new ATOM 0 HG22 VAL A 20 -11.577 -12.367 -4.704 1.00 0.57 H new ATOM 0 HG23 VAL A 20 -12.246 -10.781 -5.158 1.00 0.57 H new ATOM 297 N GLY A 21 -12.495 -11.690 -0.065 1.00 1.01 N ATOM 298 CA GLY A 21 -12.599 -11.469 1.372 1.00 1.26 C ATOM 299 C GLY A 21 -11.558 -10.488 1.936 1.00 1.13 C ATOM 300 O GLY A 21 -10.815 -9.848 1.190 1.00 1.27 O ATOM 0 H GLY A 21 -12.024 -12.562 -0.304 1.00 1.01 H new ATOM 0 HA2 GLY A 21 -13.597 -11.093 1.599 1.00 1.26 H new ATOM 0 HA3 GLY A 21 -12.495 -12.426 1.884 1.00 1.26 H new ATOM 304 N PRO A 22 -11.509 -10.342 3.269 1.00 1.00 N ATOM 305 CA PRO A 22 -10.662 -9.370 3.954 1.00 1.05 C ATOM 306 C PRO A 22 -9.215 -9.843 4.145 1.00 1.00 C ATOM 307 O PRO A 22 -8.893 -10.996 3.855 1.00 1.23 O ATOM 308 CB PRO A 22 -11.358 -9.137 5.293 1.00 1.19 C ATOM 309 CG PRO A 22 -12.021 -10.482 5.583 1.00 1.15 C ATOM 310 CD PRO A 22 -12.460 -10.938 4.194 1.00 1.06 C ATOM 0 HA PRO A 22 -10.559 -8.459 3.364 1.00 1.05 H new ATOM 0 HB2 PRO A 22 -10.648 -8.862 6.073 1.00 1.19 H new ATOM 0 HB3 PRO A 22 -12.091 -8.332 5.231 1.00 1.19 H new ATOM 0 HG2 PRO A 22 -11.327 -11.187 6.041 1.00 1.15 H new ATOM 0 HG3 PRO A 22 -12.867 -10.380 6.263 1.00 1.15 H new ATOM 0 HD2 PRO A 22 -12.453 -12.025 4.118 1.00 1.06 H new ATOM 0 HD3 PRO A 22 -13.477 -10.610 3.977 1.00 1.06 H new ATOM 318 N MET A 23 -8.348 -8.944 4.632 1.00 0.82 N ATOM 319 CA MET A 23 -6.956 -9.212 5.003 1.00 0.78 C ATOM 320 C MET A 23 -6.548 -8.209 6.078 1.00 0.59 C ATOM 321 O MET A 23 -7.065 -7.091 6.083 1.00 0.97 O ATOM 322 CB MET A 23 -5.980 -9.104 3.817 1.00 0.95 C ATOM 323 CG MET A 23 -6.495 -8.348 2.599 1.00 1.38 C ATOM 324 SD MET A 23 -5.537 -8.548 1.080 1.00 2.29 S ATOM 325 CE MET A 23 -3.955 -7.897 1.612 1.00 1.03 C ATOM 0 H MET A 23 -8.611 -7.970 4.784 1.00 0.82 H new ATOM 0 HA MET A 23 -6.901 -10.239 5.363 1.00 0.78 H new ATOM 0 HB2 MET A 23 -5.069 -8.617 4.164 1.00 0.95 H new ATOM 0 HB3 MET A 23 -5.704 -10.111 3.505 1.00 0.95 H new ATOM 0 HG2 MET A 23 -7.519 -8.667 2.404 1.00 1.38 H new ATOM 0 HG3 MET A 23 -6.533 -7.287 2.844 1.00 1.38 H new ATOM 0 HE1 MET A 23 -3.345 -7.665 0.739 1.00 1.03 H new ATOM 0 HE2 MET A 23 -4.112 -6.990 2.196 1.00 1.03 H new ATOM 0 HE3 MET A 23 -3.444 -8.639 2.225 1.00 1.03 H new ATOM 335 N SER A 24 -5.614 -8.605 6.943 1.00 0.67 N ATOM 336 CA SER A 24 -5.146 -7.812 8.067 1.00 0.59 C ATOM 337 C SER A 24 -3.847 -7.073 7.773 1.00 0.43 C ATOM 338 O SER A 24 -3.223 -7.256 6.729 1.00 0.49 O ATOM 339 CB SER A 24 -5.083 -8.687 9.332 1.00 0.84 C ATOM 340 OG SER A 24 -3.768 -9.101 9.684 1.00 0.83 O ATOM 0 H SER A 24 -5.153 -9.512 6.874 1.00 0.67 H new ATOM 0 HA SER A 24 -5.869 -7.017 8.250 1.00 0.59 H new ATOM 0 HB2 SER A 24 -5.514 -8.133 10.166 1.00 0.84 H new ATOM 0 HB3 SER A 24 -5.703 -9.571 9.181 1.00 0.84 H new ATOM 0 HG SER A 24 -3.804 -9.650 10.495 1.00 0.83 H new ATOM 346 N TRP A 25 -3.446 -6.254 8.743 1.00 0.39 N ATOM 347 CA TRP A 25 -2.152 -5.595 8.736 1.00 0.34 C ATOM 348 C TRP A 25 -1.083 -6.599 9.157 1.00 0.40 C ATOM 349 O TRP A 25 -1.354 -7.514 9.944 1.00 0.83 O ATOM 350 CB TRP A 25 -2.133 -4.412 9.710 1.00 0.38 C ATOM 351 CG TRP A 25 -1.097 -3.382 9.397 1.00 0.38 C ATOM 352 CD1 TRP A 25 -0.025 -3.025 10.139 1.00 0.44 C ATOM 353 CD2 TRP A 25 -1.063 -2.545 8.217 1.00 0.36 C ATOM 354 NE1 TRP A 25 0.631 -1.982 9.513 1.00 0.44 N ATOM 355 CE2 TRP A 25 0.030 -1.641 8.317 1.00 0.38 C ATOM 356 CE3 TRP A 25 -1.897 -2.434 7.096 1.00 0.39 C ATOM 357 CZ2 TRP A 25 0.252 -0.639 7.356 1.00 0.39 C ATOM 358 CZ3 TRP A 25 -1.662 -1.473 6.110 1.00 0.43 C ATOM 359 CH2 TRP A 25 -0.626 -0.537 6.260 1.00 0.41 C ATOM 0 H TRP A 25 -4.017 -6.031 9.558 1.00 0.39 H new ATOM 0 HA TRP A 25 -1.957 -5.222 7.731 1.00 0.34 H new ATOM 0 HB2 TRP A 25 -3.114 -3.937 9.708 1.00 0.38 H new ATOM 0 HB3 TRP A 25 -1.963 -4.788 10.719 1.00 0.38 H new ATOM 0 HD1 TRP A 25 0.271 -3.482 11.072 1.00 0.44 H new ATOM 0 HE1 TRP A 25 1.459 -1.520 9.889 1.00 0.44 H new ATOM 0 HE3 TRP A 25 -2.737 -3.104 6.993 1.00 0.39 H new ATOM 0 HZ2 TRP A 25 1.084 0.042 7.457 1.00 0.39 H new ATOM 0 HZ3 TRP A 25 -2.282 -1.450 5.226 1.00 0.43 H new ATOM 0 HH2 TRP A 25 -0.503 0.257 5.538 1.00 0.41 H new ATOM 370 N ASP A 26 0.136 -6.376 8.698 1.00 0.44 N ATOM 371 CA ASP A 26 1.362 -7.102 8.968 1.00 0.49 C ATOM 372 C ASP A 26 2.424 -6.054 9.309 1.00 0.66 C ATOM 373 O ASP A 26 3.167 -5.577 8.457 1.00 1.31 O ATOM 374 CB ASP A 26 1.810 -7.886 7.719 1.00 0.67 C ATOM 375 CG ASP A 26 1.468 -7.162 6.425 1.00 2.89 C ATOM 376 OD1 ASP A 26 1.424 -5.920 6.463 1.00 4.27 O ATOM 377 OD2 ASP A 26 1.257 -7.857 5.416 1.00 3.88 O ATOM 0 H ASP A 26 0.308 -5.599 8.060 1.00 0.44 H new ATOM 0 HA ASP A 26 1.216 -7.813 9.781 1.00 0.49 H new ATOM 0 HB2 ASP A 26 2.886 -8.053 7.765 1.00 0.67 H new ATOM 0 HB3 ASP A 26 1.335 -8.867 7.720 1.00 0.67 H new ATOM 382 N ALA A 27 2.606 -5.738 10.589 1.00 0.49 N ATOM 383 CA ALA A 27 3.507 -4.642 10.935 1.00 0.65 C ATOM 384 C ALA A 27 4.946 -4.945 10.492 1.00 0.53 C ATOM 385 O ALA A 27 5.732 -4.042 10.229 1.00 0.54 O ATOM 386 CB ALA A 27 3.443 -4.378 12.438 1.00 0.99 C ATOM 0 H ALA A 27 2.160 -6.206 11.378 1.00 0.49 H new ATOM 0 HA ALA A 27 3.185 -3.746 10.405 1.00 0.65 H new ATOM 0 HB1 ALA A 27 4.116 -3.560 12.693 1.00 0.99 H new ATOM 0 HB2 ALA A 27 2.424 -4.110 12.717 1.00 0.99 H new ATOM 0 HB3 ALA A 27 3.743 -5.276 12.978 1.00 0.99 H new ATOM 392 N ASN A 28 5.284 -6.228 10.354 1.00 0.51 N ATOM 393 CA ASN A 28 6.569 -6.698 9.850 1.00 0.53 C ATOM 394 C ASN A 28 6.752 -6.289 8.386 1.00 0.48 C ATOM 395 O ASN A 28 7.837 -5.900 7.959 1.00 0.66 O ATOM 396 CB ASN A 28 6.651 -8.234 9.945 1.00 0.69 C ATOM 397 CG ASN A 28 5.904 -8.821 11.139 1.00 1.33 C ATOM 398 OD1 ASN A 28 4.675 -8.864 11.135 1.00 2.94 O ATOM 399 ND2 ASN A 28 6.576 -9.235 12.207 1.00 1.64 N ATOM 0 H ASN A 28 4.650 -6.989 10.598 1.00 0.51 H new ATOM 0 HA ASN A 28 7.353 -6.247 10.458 1.00 0.53 H new ATOM 0 HB2 ASN A 28 6.249 -8.667 9.029 1.00 0.69 H new ATOM 0 HB3 ASN A 28 7.699 -8.529 10.004 1.00 0.69 H new ATOM 0 HD21 ASN A 28 6.073 -9.588 13.021 1.00 1.64 H new ATOM 0 HD22 ASN A 28 7.595 -9.201 12.213 1.00 1.64 H new ATOM 406 N LEU A 29 5.701 -6.422 7.587 1.00 0.42 N ATOM 407 CA LEU A 29 5.732 -6.087 6.171 1.00 0.40 C ATOM 408 C LEU A 29 5.622 -4.579 5.996 1.00 0.38 C ATOM 409 O LEU A 29 6.316 -4.004 5.162 1.00 0.43 O ATOM 410 CB LEU A 29 4.634 -6.846 5.443 1.00 0.61 C ATOM 411 CG LEU A 29 5.073 -8.296 5.191 1.00 0.90 C ATOM 412 CD1 LEU A 29 3.943 -9.322 5.245 1.00 1.65 C ATOM 413 CD2 LEU A 29 5.661 -8.358 3.789 1.00 0.56 C ATOM 0 H LEU A 29 4.796 -6.768 7.907 1.00 0.42 H new ATOM 0 HA LEU A 29 6.681 -6.391 5.730 1.00 0.40 H new ATOM 0 HB2 LEU A 29 3.718 -6.833 6.034 1.00 0.61 H new ATOM 0 HB3 LEU A 29 4.409 -6.356 4.496 1.00 0.61 H new ATOM 0 HG LEU A 29 5.776 -8.551 5.984 1.00 0.90 H new ATOM 0 HD11 LEU A 29 4.346 -10.317 5.056 1.00 1.65 H new ATOM 0 HD12 LEU A 29 3.478 -9.300 6.231 1.00 1.65 H new ATOM 0 HD13 LEU A 29 3.197 -9.082 4.487 1.00 1.65 H new ATOM 0 HD21 LEU A 29 5.985 -9.377 3.575 1.00 0.56 H new ATOM 0 HD22 LEU A 29 4.905 -8.057 3.064 1.00 0.56 H new ATOM 0 HD23 LEU A 29 6.515 -7.684 3.723 1.00 0.56 H new ATOM 425 N ALA A 30 4.820 -3.916 6.826 1.00 0.41 N ATOM 426 CA ALA A 30 4.833 -2.466 6.919 1.00 0.43 C ATOM 427 C ALA A 30 6.258 -1.967 7.182 1.00 0.49 C ATOM 428 O ALA A 30 6.725 -1.055 6.503 1.00 0.53 O ATOM 429 CB ALA A 30 3.848 -2.003 7.992 1.00 0.44 C ATOM 0 H ALA A 30 4.149 -4.369 7.447 1.00 0.41 H new ATOM 0 HA ALA A 30 4.510 -2.034 5.972 1.00 0.43 H new ATOM 0 HB1 ALA A 30 3.864 -0.915 8.055 1.00 0.44 H new ATOM 0 HB2 ALA A 30 2.843 -2.337 7.732 1.00 0.44 H new ATOM 0 HB3 ALA A 30 4.133 -2.427 8.955 1.00 0.44 H new ATOM 435 N SER A 31 6.981 -2.581 8.125 1.00 0.54 N ATOM 436 CA SER A 31 8.372 -2.238 8.378 1.00 0.67 C ATOM 437 C SER A 31 9.188 -2.397 7.089 1.00 0.71 C ATOM 438 O SER A 31 9.949 -1.511 6.706 1.00 0.79 O ATOM 439 CB SER A 31 8.922 -3.046 9.569 1.00 0.74 C ATOM 440 OG SER A 31 9.629 -4.217 9.194 1.00 1.08 O ATOM 0 H SER A 31 6.617 -3.321 8.725 1.00 0.54 H new ATOM 0 HA SER A 31 8.453 -1.191 8.670 1.00 0.67 H new ATOM 0 HB2 SER A 31 9.583 -2.407 10.154 1.00 0.74 H new ATOM 0 HB3 SER A 31 8.093 -3.327 10.218 1.00 0.74 H new ATOM 0 HG SER A 31 9.017 -4.841 8.751 1.00 1.08 H new ATOM 446 N ARG A 32 8.995 -3.518 6.393 1.00 0.70 N ATOM 447 CA ARG A 32 9.632 -3.805 5.114 1.00 0.83 C ATOM 448 C ARG A 32 9.418 -2.673 4.112 1.00 0.72 C ATOM 449 O ARG A 32 10.346 -2.208 3.448 1.00 0.84 O ATOM 450 CB ARG A 32 9.057 -5.108 4.539 1.00 0.99 C ATOM 451 CG ARG A 32 10.168 -5.960 3.957 1.00 0.98 C ATOM 452 CD ARG A 32 10.822 -6.717 5.110 1.00 1.73 C ATOM 453 NE ARG A 32 12.211 -7.045 4.812 1.00 2.47 N ATOM 454 CZ ARG A 32 12.972 -7.871 5.533 1.00 3.29 C ATOM 455 NH1 ARG A 32 12.497 -8.381 6.672 1.00 3.93 N ATOM 456 NH2 ARG A 32 14.188 -8.136 5.063 1.00 3.94 N ATOM 0 H ARG A 32 8.378 -4.265 6.712 1.00 0.70 H new ATOM 0 HA ARG A 32 10.704 -3.906 5.286 1.00 0.83 H new ATOM 0 HB2 ARG A 32 8.537 -5.661 5.321 1.00 0.99 H new ATOM 0 HB3 ARG A 32 8.322 -4.880 3.767 1.00 0.99 H new ATOM 0 HG2 ARG A 32 9.770 -6.656 3.219 1.00 0.98 H new ATOM 0 HG3 ARG A 32 10.900 -5.336 3.444 1.00 0.98 H new ATOM 0 HD2 ARG A 32 10.776 -6.113 6.016 1.00 1.73 H new ATOM 0 HD3 ARG A 32 10.265 -7.633 5.308 1.00 1.73 H new ATOM 0 HE ARG A 32 12.633 -6.611 3.991 1.00 2.47 H new ATOM 0 HH11 ARG A 32 11.557 -8.139 6.987 1.00 3.93 H new ATOM 0 HH12 ARG A 32 13.074 -9.013 7.227 1.00 3.93 H new ATOM 0 HH21 ARG A 32 14.500 -7.714 4.189 1.00 3.94 H new ATOM 0 HH22 ARG A 32 14.808 -8.761 5.577 1.00 3.94 H new ATOM 470 N ALA A 33 8.168 -2.255 3.974 1.00 0.55 N ATOM 471 CA ALA A 33 7.774 -1.200 3.070 1.00 0.49 C ATOM 472 C ALA A 33 8.410 0.118 3.502 1.00 0.43 C ATOM 473 O ALA A 33 8.861 0.897 2.665 1.00 0.51 O ATOM 474 CB ALA A 33 6.253 -1.121 3.056 1.00 0.46 C ATOM 0 H ALA A 33 7.389 -2.651 4.500 1.00 0.55 H new ATOM 0 HA ALA A 33 8.121 -1.408 2.058 1.00 0.49 H new ATOM 0 HB1 ALA A 33 5.936 -0.329 2.378 1.00 0.46 H new ATOM 0 HB2 ALA A 33 5.842 -2.073 2.719 1.00 0.46 H new ATOM 0 HB3 ALA A 33 5.891 -0.905 4.061 1.00 0.46 H new ATOM 480 N GLN A 34 8.473 0.374 4.808 1.00 0.48 N ATOM 481 CA GLN A 34 9.108 1.568 5.333 1.00 0.62 C ATOM 482 C GLN A 34 10.595 1.568 4.979 1.00 0.71 C ATOM 483 O GLN A 34 11.114 2.594 4.541 1.00 0.68 O ATOM 484 CB GLN A 34 8.825 1.688 6.837 1.00 0.83 C ATOM 485 CG GLN A 34 9.291 3.015 7.448 1.00 1.18 C ATOM 486 CD GLN A 34 8.680 4.233 6.762 1.00 1.06 C ATOM 487 OE1 GLN A 34 7.652 4.745 7.190 1.00 1.88 O ATOM 488 NE2 GLN A 34 9.291 4.734 5.698 1.00 1.83 N ATOM 0 H GLN A 34 8.086 -0.241 5.524 1.00 0.48 H new ATOM 0 HA GLN A 34 8.688 2.461 4.870 1.00 0.62 H new ATOM 0 HB2 GLN A 34 7.754 1.577 7.006 1.00 0.83 H new ATOM 0 HB3 GLN A 34 9.317 0.866 7.357 1.00 0.83 H new ATOM 0 HG2 GLN A 34 9.031 3.033 8.506 1.00 1.18 H new ATOM 0 HG3 GLN A 34 10.377 3.076 7.385 1.00 1.18 H new ATOM 0 HE21 GLN A 34 10.146 4.301 5.350 1.00 1.83 H new ATOM 0 HE22 GLN A 34 8.906 5.553 5.227 1.00 1.83 H new ATOM 497 N ASN A 35 11.259 0.421 5.123 1.00 0.94 N ATOM 498 CA ASN A 35 12.581 0.153 4.562 1.00 1.37 C ATOM 499 C ASN A 35 12.674 0.424 3.072 1.00 1.36 C ATOM 500 O ASN A 35 13.667 1.002 2.633 1.00 1.55 O ATOM 501 CB ASN A 35 13.053 -1.280 4.865 1.00 1.71 C ATOM 502 CG ASN A 35 13.970 -1.351 6.075 1.00 2.20 C ATOM 503 OD1 ASN A 35 13.540 -1.506 7.211 1.00 2.17 O ATOM 504 ND2 ASN A 35 15.270 -1.214 5.836 1.00 3.67 N ATOM 0 H ASN A 35 10.881 -0.368 5.647 1.00 0.94 H new ATOM 0 HA ASN A 35 13.247 0.859 5.059 1.00 1.37 H new ATOM 0 HB2 ASN A 35 12.184 -1.916 5.035 1.00 1.71 H new ATOM 0 HB3 ASN A 35 13.575 -1.678 3.995 1.00 1.71 H new ATOM 0 HD21 ASN A 35 15.936 -1.237 6.608 1.00 3.67 H new ATOM 0 HD22 ASN A 35 15.602 -1.086 4.880 1.00 3.67 H new ATOM 511 N TYR A 36 11.691 0.006 2.275 1.00 1.32 N ATOM 512 CA TYR A 36 11.727 0.301 0.849 1.00 1.51 C ATOM 513 C TYR A 36 11.777 1.812 0.680 1.00 1.15 C ATOM 514 O TYR A 36 12.733 2.351 0.131 1.00 1.14 O ATOM 515 CB TYR A 36 10.527 -0.286 0.089 1.00 1.83 C ATOM 516 CG TYR A 36 10.636 -0.103 -1.415 1.00 2.07 C ATOM 517 CD1 TYR A 36 10.432 1.159 -2.009 1.00 3.24 C ATOM 518 CD2 TYR A 36 11.046 -1.181 -2.214 1.00 2.18 C ATOM 519 CE1 TYR A 36 10.683 1.351 -3.377 1.00 3.58 C ATOM 520 CE2 TYR A 36 11.267 -0.994 -3.588 1.00 2.36 C ATOM 521 CZ TYR A 36 11.123 0.281 -4.162 1.00 2.75 C ATOM 522 OH TYR A 36 11.412 0.504 -5.479 1.00 3.20 O ATOM 0 H TYR A 36 10.878 -0.526 2.586 1.00 1.32 H new ATOM 0 HA TYR A 36 12.613 -0.168 0.421 1.00 1.51 H new ATOM 0 HB2 TYR A 36 10.444 -1.349 0.316 1.00 1.83 H new ATOM 0 HB3 TYR A 36 9.612 0.188 0.443 1.00 1.83 H new ATOM 0 HD1 TYR A 36 10.080 1.984 -1.408 1.00 3.24 H new ATOM 0 HD2 TYR A 36 11.192 -2.155 -1.772 1.00 2.18 H new ATOM 0 HE1 TYR A 36 10.536 2.324 -3.822 1.00 3.58 H new ATOM 0 HE2 TYR A 36 11.549 -1.833 -4.206 1.00 2.36 H new ATOM 0 HH TYR A 36 11.707 -0.333 -5.895 1.00 3.20 H new ATOM 532 N ALA A 37 10.737 2.484 1.167 1.00 0.94 N ATOM 533 CA ALA A 37 10.542 3.908 0.980 1.00 0.86 C ATOM 534 C ALA A 37 11.773 4.675 1.474 1.00 0.72 C ATOM 535 O ALA A 37 12.225 5.619 0.838 1.00 0.91 O ATOM 536 CB ALA A 37 9.242 4.315 1.684 1.00 0.80 C ATOM 0 H ALA A 37 9.997 2.041 1.711 1.00 0.94 H new ATOM 0 HA ALA A 37 10.437 4.159 -0.076 1.00 0.86 H new ATOM 0 HB1 ALA A 37 9.078 5.385 1.554 1.00 0.80 H new ATOM 0 HB2 ALA A 37 8.406 3.764 1.252 1.00 0.80 H new ATOM 0 HB3 ALA A 37 9.317 4.086 2.747 1.00 0.80 H new ATOM 542 N ASN A 38 12.339 4.247 2.601 1.00 0.63 N ATOM 543 CA ASN A 38 13.562 4.820 3.149 1.00 0.84 C ATOM 544 C ASN A 38 14.739 4.627 2.206 1.00 1.07 C ATOM 545 O ASN A 38 15.436 5.585 1.872 1.00 1.13 O ATOM 546 CB ASN A 38 13.880 4.208 4.515 1.00 1.07 C ATOM 547 CG ASN A 38 13.292 5.065 5.620 1.00 1.17 C ATOM 548 OD1 ASN A 38 12.255 4.576 6.276 1.00 1.83 O flip ATOM 549 ND2 ASN A 38 13.734 6.184 5.867 1.00 1.41 N flip ATOM 0 H ASN A 38 11.957 3.486 3.162 1.00 0.63 H new ATOM 0 HA ASN A 38 13.396 5.891 3.269 1.00 0.84 H new ATOM 0 HB2 ASN A 38 13.475 3.198 4.573 1.00 1.07 H new ATOM 0 HB3 ASN A 38 14.959 4.126 4.643 1.00 1.07 H new ATOM 0 HD21 ASN A 38 14.536 6.542 5.348 1.00 1.41 H new ATOM 0 HD22 ASN A 38 13.299 6.756 6.591 1.00 1.41 H new ATOM 556 N SER A 39 15.001 3.381 1.807 1.00 1.29 N ATOM 557 CA SER A 39 16.158 3.080 0.981 1.00 1.62 C ATOM 558 C SER A 39 16.083 3.849 -0.340 1.00 1.58 C ATOM 559 O SER A 39 17.078 4.394 -0.816 1.00 1.77 O ATOM 560 CB SER A 39 16.330 1.571 0.796 1.00 1.97 C ATOM 561 OG SER A 39 15.156 0.931 0.329 1.00 3.09 O ATOM 0 H SER A 39 14.427 2.572 2.044 1.00 1.29 H new ATOM 0 HA SER A 39 17.059 3.420 1.492 1.00 1.62 H new ATOM 0 HB2 SER A 39 17.141 1.388 0.092 1.00 1.97 H new ATOM 0 HB3 SER A 39 16.626 1.126 1.746 1.00 1.97 H new ATOM 0 HG SER A 39 14.515 0.846 1.065 1.00 3.09 H new ATOM 567 N ARG A 40 14.883 3.905 -0.909 1.00 1.48 N ATOM 568 CA ARG A 40 14.553 4.638 -2.111 1.00 1.69 C ATOM 569 C ARG A 40 13.922 5.981 -1.748 1.00 1.73 C ATOM 570 O ARG A 40 12.792 6.243 -2.146 1.00 2.61 O ATOM 571 CB ARG A 40 13.633 3.761 -2.972 1.00 1.84 C ATOM 572 CG ARG A 40 14.435 2.681 -3.712 1.00 1.70 C ATOM 573 CD ARG A 40 15.005 3.194 -5.048 1.00 2.14 C ATOM 574 NE ARG A 40 16.462 3.456 -5.025 1.00 2.44 N ATOM 575 CZ ARG A 40 17.319 2.910 -5.906 1.00 3.40 C ATOM 576 NH1 ARG A 40 17.048 1.698 -6.389 1.00 3.85 N ATOM 577 NH2 ARG A 40 18.393 3.570 -6.343 1.00 4.36 N ATOM 0 H ARG A 40 14.079 3.413 -0.519 1.00 1.48 H new ATOM 0 HA ARG A 40 15.448 4.865 -2.691 1.00 1.69 H new ATOM 0 HB2 ARG A 40 12.879 3.290 -2.341 1.00 1.84 H new ATOM 0 HB3 ARG A 40 13.103 4.383 -3.693 1.00 1.84 H new ATOM 0 HG2 ARG A 40 15.253 2.339 -3.077 1.00 1.70 H new ATOM 0 HG3 ARG A 40 13.794 1.819 -3.899 1.00 1.70 H new ATOM 0 HD2 ARG A 40 14.791 2.462 -5.827 1.00 2.14 H new ATOM 0 HD3 ARG A 40 14.486 4.112 -5.323 1.00 2.14 H new ATOM 0 HE ARG A 40 16.833 4.079 -4.308 1.00 2.44 H new ATOM 0 HH11 ARG A 40 16.206 1.206 -6.089 1.00 3.85 H new ATOM 0 HH12 ARG A 40 17.682 1.262 -7.058 1.00 3.85 H new ATOM 0 HH21 ARG A 40 18.582 4.515 -6.009 1.00 4.36 H new ATOM 0 HH22 ARG A 40 19.025 3.130 -7.011 1.00 4.36 H new ATOM 591 N ALA A 41 14.675 6.864 -1.090 1.00 1.41 N ATOM 592 CA ALA A 41 14.318 8.275 -0.950 1.00 1.38 C ATOM 593 C ALA A 41 15.215 9.139 -1.833 1.00 1.57 C ATOM 594 O ALA A 41 14.764 10.116 -2.433 1.00 2.51 O ATOM 595 CB ALA A 41 14.301 8.717 0.518 1.00 1.34 C ATOM 0 H ALA A 41 15.555 6.618 -0.637 1.00 1.41 H new ATOM 0 HA ALA A 41 13.296 8.413 -1.303 1.00 1.38 H new ATOM 0 HB1 ALA A 41 14.031 9.771 0.577 1.00 1.34 H new ATOM 0 HB2 ALA A 41 13.570 8.124 1.068 1.00 1.34 H new ATOM 0 HB3 ALA A 41 15.289 8.570 0.954 1.00 1.34 H new ATOM 601 N GLY A 42 16.476 8.743 -1.970 1.00 1.28 N ATOM 602 CA GLY A 42 17.406 9.364 -2.891 1.00 1.44 C ATOM 603 C GLY A 42 16.930 9.287 -4.341 1.00 1.45 C ATOM 604 O GLY A 42 17.097 10.243 -5.097 1.00 1.68 O ATOM 0 H GLY A 42 16.880 7.973 -1.437 1.00 1.28 H new ATOM 0 HA2 GLY A 42 17.546 10.408 -2.613 1.00 1.44 H new ATOM 0 HA3 GLY A 42 18.378 8.878 -2.804 1.00 1.44 H new ATOM 608 N ASP A 43 16.349 8.151 -4.743 1.00 1.42 N ATOM 609 CA ASP A 43 16.000 7.863 -6.140 1.00 1.66 C ATOM 610 C ASP A 43 14.497 7.796 -6.272 1.00 1.75 C ATOM 611 O ASP A 43 13.919 8.343 -7.207 1.00 2.58 O ATOM 612 CB ASP A 43 16.561 6.511 -6.586 1.00 2.01 C ATOM 613 CG ASP A 43 17.915 6.646 -7.225 1.00 2.45 C ATOM 614 OD1 ASP A 43 17.967 7.057 -8.402 1.00 3.44 O ATOM 615 OD2 ASP A 43 18.908 6.299 -6.557 1.00 3.17 O ATOM 0 H ASP A 43 16.105 7.397 -4.101 1.00 1.42 H new ATOM 0 HA ASP A 43 16.423 8.654 -6.759 1.00 1.66 H new ATOM 0 HB2 ASP A 43 16.631 5.846 -5.725 1.00 2.01 H new ATOM 0 HB3 ASP A 43 15.872 6.047 -7.292 1.00 2.01 H new ATOM 620 N CYS A 44 13.877 7.081 -5.334 1.00 1.38 N ATOM 621 CA CYS A 44 12.449 7.167 -5.065 1.00 1.39 C ATOM 622 C CYS A 44 11.626 7.086 -6.335 1.00 1.61 C ATOM 623 O CYS A 44 10.830 7.958 -6.687 1.00 2.38 O ATOM 624 CB CYS A 44 12.196 8.431 -4.279 1.00 1.45 C ATOM 625 SG CYS A 44 10.526 8.497 -3.661 1.00 1.90 S ATOM 0 H CYS A 44 14.364 6.416 -4.732 1.00 1.38 H new ATOM 0 HA CYS A 44 12.129 6.310 -4.471 1.00 1.39 H new ATOM 0 HB2 CYS A 44 12.896 8.487 -3.445 1.00 1.45 H new ATOM 0 HB3 CYS A 44 12.385 9.298 -4.912 1.00 1.45 H new ATOM 630 N ASN A 45 11.931 6.026 -7.070 1.00 1.82 N ATOM 631 CA ASN A 45 11.500 5.806 -8.434 1.00 2.15 C ATOM 632 C ASN A 45 10.613 4.568 -8.429 1.00 1.87 C ATOM 633 O ASN A 45 10.920 3.594 -7.736 1.00 2.24 O ATOM 634 CB ASN A 45 12.750 5.657 -9.314 1.00 2.61 C ATOM 635 CG ASN A 45 12.806 6.743 -10.377 1.00 3.70 C ATOM 636 OD1 ASN A 45 12.471 6.499 -11.531 1.00 4.51 O ATOM 637 ND2 ASN A 45 13.184 7.959 -9.998 1.00 4.54 N ATOM 0 H ASN A 45 12.510 5.266 -6.712 1.00 1.82 H new ATOM 0 HA ASN A 45 10.921 6.635 -8.842 1.00 2.15 H new ATOM 0 HB2 ASN A 45 13.644 5.707 -8.692 1.00 2.61 H new ATOM 0 HB3 ASN A 45 12.748 4.677 -9.791 1.00 2.61 H new ATOM 0 HD21 ASN A 45 13.201 8.722 -10.675 1.00 4.54 H new ATOM 0 HD22 ASN A 45 13.457 8.130 -9.030 1.00 4.54 H new ATOM 644 N LEU A 46 9.487 4.608 -9.139 1.00 2.02 N ATOM 645 CA LEU A 46 8.420 3.616 -9.040 1.00 1.89 C ATOM 646 C LEU A 46 8.760 2.352 -9.840 1.00 2.18 C ATOM 647 O LEU A 46 7.978 1.908 -10.679 1.00 2.58 O ATOM 648 CB LEU A 46 7.098 4.240 -9.519 1.00 2.08 C ATOM 649 CG LEU A 46 6.604 5.428 -8.678 1.00 1.77 C ATOM 650 CD1 LEU A 46 5.476 6.151 -9.417 1.00 2.23 C ATOM 651 CD2 LEU A 46 6.036 4.964 -7.335 1.00 1.66 C ATOM 0 H LEU A 46 9.288 5.347 -9.813 1.00 2.02 H new ATOM 0 HA LEU A 46 8.312 3.314 -7.998 1.00 1.89 H new ATOM 0 HB2 LEU A 46 7.221 4.569 -10.551 1.00 2.08 H new ATOM 0 HB3 LEU A 46 6.328 3.469 -9.520 1.00 2.08 H new ATOM 0 HG LEU A 46 7.459 6.084 -8.512 1.00 1.77 H new ATOM 0 HD11 LEU A 46 5.129 6.992 -8.817 1.00 2.23 H new ATOM 0 HD12 LEU A 46 5.845 6.516 -10.376 1.00 2.23 H new ATOM 0 HD13 LEU A 46 4.650 5.460 -9.585 1.00 2.23 H new ATOM 0 HD21 LEU A 46 5.696 5.829 -6.765 1.00 1.66 H new ATOM 0 HD22 LEU A 46 5.197 4.291 -7.508 1.00 1.66 H new ATOM 0 HD23 LEU A 46 6.810 4.442 -6.773 1.00 1.66 H new ATOM 718 N ALA A 51 6.598 -8.956 -7.602 1.00 2.04 N ATOM 719 CA ALA A 51 5.383 -9.459 -6.995 1.00 1.77 C ATOM 720 C ALA A 51 5.489 -9.170 -5.500 1.00 1.09 C ATOM 721 O ALA A 51 6.599 -9.067 -4.971 1.00 1.94 O ATOM 722 CB ALA A 51 5.231 -10.957 -7.266 1.00 2.42 C ATOM 0 HA ALA A 51 4.500 -8.976 -7.413 1.00 1.77 H new ATOM 0 HB1 ALA A 51 4.313 -11.319 -6.803 1.00 2.42 H new ATOM 0 HB2 ALA A 51 5.188 -11.130 -8.341 1.00 2.42 H new ATOM 0 HB3 ALA A 51 6.084 -11.491 -6.847 1.00 2.42 H new ATOM 728 N GLY A 52 4.361 -9.034 -4.812 1.00 1.26 N ATOM 729 CA GLY A 52 4.337 -8.725 -3.392 1.00 0.90 C ATOM 730 C GLY A 52 4.611 -7.247 -3.139 1.00 0.87 C ATOM 731 O GLY A 52 5.254 -6.945 -2.138 1.00 1.98 O ATOM 0 H GLY A 52 3.435 -9.136 -5.228 1.00 1.26 H new ATOM 0 HA2 GLY A 52 3.366 -8.993 -2.976 1.00 0.90 H new ATOM 0 HA3 GLY A 52 5.083 -9.329 -2.874 1.00 0.90 H new ATOM 735 N GLU A 53 4.216 -6.340 -4.046 1.00 0.84 N ATOM 736 CA GLU A 53 4.371 -4.909 -3.825 1.00 0.67 C ATOM 737 C GLU A 53 3.404 -4.044 -4.638 1.00 0.87 C ATOM 738 O GLU A 53 2.903 -4.475 -5.677 1.00 1.36 O ATOM 739 CB GLU A 53 5.823 -4.497 -4.079 1.00 0.79 C ATOM 740 CG GLU A 53 6.417 -3.732 -2.896 1.00 1.17 C ATOM 741 CD GLU A 53 7.921 -3.754 -2.968 1.00 1.91 C ATOM 742 OE1 GLU A 53 8.439 -3.680 -4.107 1.00 2.96 O ATOM 743 OE2 GLU A 53 8.549 -3.949 -1.906 1.00 2.78 O ATOM 0 H GLU A 53 3.787 -6.582 -4.939 1.00 0.84 H new ATOM 0 HA GLU A 53 4.112 -4.726 -2.782 1.00 0.67 H new ATOM 0 HB2 GLU A 53 6.423 -5.386 -4.274 1.00 0.79 H new ATOM 0 HB3 GLU A 53 5.872 -3.876 -4.974 1.00 0.79 H new ATOM 0 HG2 GLU A 53 6.060 -2.702 -2.903 1.00 1.17 H new ATOM 0 HG3 GLU A 53 6.083 -4.179 -1.959 1.00 1.17 H new ATOM 750 N ASN A 54 3.245 -2.787 -4.216 1.00 0.62 N ATOM 751 CA ASN A 54 2.745 -1.647 -4.985 1.00 0.68 C ATOM 752 C ASN A 54 3.476 -0.406 -4.461 1.00 0.56 C ATOM 753 O ASN A 54 3.859 -0.389 -3.294 1.00 0.78 O ATOM 754 CB ASN A 54 1.235 -1.439 -4.794 1.00 1.02 C ATOM 755 CG ASN A 54 0.355 -2.171 -5.800 1.00 1.05 C ATOM 756 OD1 ASN A 54 0.637 -2.172 -6.993 1.00 2.51 O ATOM 757 ND2 ASN A 54 -0.760 -2.745 -5.366 1.00 1.24 N ATOM 0 H ASN A 54 3.479 -2.521 -3.259 1.00 0.62 H new ATOM 0 HA ASN A 54 2.921 -1.825 -6.046 1.00 0.68 H new ATOM 0 HB2 ASN A 54 0.962 -1.764 -3.790 1.00 1.02 H new ATOM 0 HB3 ASN A 54 1.019 -0.372 -4.853 1.00 1.02 H new ATOM 0 HD21 ASN A 54 -1.394 -3.194 -6.028 1.00 1.24 H new ATOM 0 HD22 ASN A 54 -0.983 -2.738 -4.371 1.00 1.24 H new ATOM 764 N LEU A 55 3.684 0.624 -5.290 1.00 0.54 N ATOM 765 CA LEU A 55 4.395 1.850 -4.910 1.00 0.49 C ATOM 766 C LEU A 55 3.579 3.075 -5.366 1.00 0.53 C ATOM 767 O LEU A 55 2.787 2.953 -6.303 1.00 0.59 O ATOM 768 CB LEU A 55 5.801 1.888 -5.543 1.00 0.53 C ATOM 769 CG LEU A 55 6.596 0.567 -5.687 1.00 0.56 C ATOM 770 CD1 LEU A 55 7.818 0.787 -6.589 1.00 0.72 C ATOM 771 CD2 LEU A 55 7.129 -0.003 -4.371 1.00 0.74 C ATOM 0 H LEU A 55 3.359 0.629 -6.257 1.00 0.54 H new ATOM 0 HA LEU A 55 4.510 1.868 -3.826 1.00 0.49 H new ATOM 0 HB2 LEU A 55 5.702 2.323 -6.538 1.00 0.53 H new ATOM 0 HB3 LEU A 55 6.409 2.575 -4.954 1.00 0.53 H new ATOM 0 HG LEU A 55 5.879 -0.142 -6.102 1.00 0.56 H new ATOM 0 HD11 LEU A 55 8.372 -0.147 -6.685 1.00 0.72 H new ATOM 0 HD12 LEU A 55 7.488 1.117 -7.574 1.00 0.72 H new ATOM 0 HD13 LEU A 55 8.463 1.548 -6.149 1.00 0.72 H new ATOM 0 HD21 LEU A 55 7.672 -0.927 -4.568 1.00 0.74 H new ATOM 0 HD22 LEU A 55 7.800 0.720 -3.907 1.00 0.74 H new ATOM 0 HD23 LEU A 55 6.295 -0.208 -3.699 1.00 0.74 H new ATOM 783 N ALA A 56 3.757 4.259 -4.769 1.00 0.55 N ATOM 784 CA ALA A 56 3.090 5.498 -5.187 1.00 0.59 C ATOM 785 C ALA A 56 3.953 6.718 -4.863 1.00 0.64 C ATOM 786 O ALA A 56 4.761 6.649 -3.946 1.00 0.62 O ATOM 787 CB ALA A 56 1.747 5.645 -4.471 1.00 0.63 C ATOM 0 H ALA A 56 4.378 4.386 -3.970 1.00 0.55 H new ATOM 0 HA ALA A 56 2.933 5.442 -6.264 1.00 0.59 H new ATOM 0 HB1 ALA A 56 1.263 6.568 -4.791 1.00 0.63 H new ATOM 0 HB2 ALA A 56 1.108 4.797 -4.718 1.00 0.63 H new ATOM 0 HB3 ALA A 56 1.910 5.675 -3.394 1.00 0.63 H new ATOM 793 N LYS A 57 3.754 7.823 -5.591 1.00 0.99 N ATOM 794 CA LYS A 57 4.392 9.118 -5.349 1.00 0.98 C ATOM 795 C LYS A 57 3.340 10.098 -4.813 1.00 1.38 C ATOM 796 O LYS A 57 2.150 9.838 -4.994 1.00 1.98 O ATOM 797 CB LYS A 57 5.036 9.630 -6.655 1.00 1.48 C ATOM 798 CG LYS A 57 4.003 9.900 -7.766 1.00 2.29 C ATOM 799 CD LYS A 57 4.569 10.655 -8.979 1.00 2.86 C ATOM 800 CE LYS A 57 5.309 9.783 -10.000 1.00 2.48 C ATOM 801 NZ LYS A 57 6.759 9.659 -9.753 1.00 2.90 N ATOM 0 H LYS A 57 3.122 7.838 -6.392 1.00 0.99 H new ATOM 0 HA LYS A 57 5.183 9.022 -4.605 1.00 0.98 H new ATOM 0 HB2 LYS A 57 5.587 10.547 -6.447 1.00 1.48 H new ATOM 0 HB3 LYS A 57 5.760 8.896 -7.009 1.00 1.48 H new ATOM 0 HG2 LYS A 57 3.591 8.949 -8.103 1.00 2.29 H new ATOM 0 HG3 LYS A 57 3.177 10.474 -7.347 1.00 2.29 H new ATOM 0 HD2 LYS A 57 3.749 11.164 -9.486 1.00 2.86 H new ATOM 0 HD3 LYS A 57 5.251 11.427 -8.621 1.00 2.86 H new ATOM 0 HE2 LYS A 57 4.865 8.787 -10.000 1.00 2.48 H new ATOM 0 HE3 LYS A 57 5.156 10.200 -10.995 1.00 2.48 H new ATOM 0 HZ1 LYS A 57 7.185 9.055 -10.485 1.00 2.90 H new ATOM 0 HZ2 LYS A 57 7.198 10.601 -9.782 1.00 2.90 H new ATOM 0 HZ3 LYS A 57 6.917 9.233 -8.818 1.00 2.90 H new ATOM 815 N GLY A 58 3.753 11.222 -4.217 1.00 1.27 N ATOM 816 CA GLY A 58 2.841 12.202 -3.631 1.00 1.92 C ATOM 817 C GLY A 58 3.320 13.639 -3.823 1.00 1.44 C ATOM 818 O GLY A 58 3.819 13.956 -4.897 1.00 1.67 O ATOM 0 H GLY A 58 4.737 11.476 -4.129 1.00 1.27 H new ATOM 0 HA2 GLY A 58 1.854 12.089 -4.080 1.00 1.92 H new ATOM 0 HA3 GLY A 58 2.731 11.999 -2.566 1.00 1.92 H new ATOM 822 N GLY A 59 3.234 14.500 -2.797 1.00 2.11 N ATOM 823 CA GLY A 59 3.827 15.839 -2.837 1.00 1.83 C ATOM 824 C GLY A 59 3.173 16.815 -1.872 1.00 1.98 C ATOM 825 O GLY A 59 3.740 17.124 -0.825 1.00 3.12 O ATOM 0 H GLY A 59 2.754 14.286 -1.923 1.00 2.11 H new ATOM 0 HA2 GLY A 59 4.889 15.765 -2.604 1.00 1.83 H new ATOM 0 HA3 GLY A 59 3.749 16.233 -3.850 1.00 1.83 H new ATOM 829 N GLY A 60 1.991 17.319 -2.192 1.00 1.65 N ATOM 830 CA GLY A 60 1.129 17.932 -1.199 1.00 1.99 C ATOM 831 C GLY A 60 0.461 16.781 -0.467 1.00 1.80 C ATOM 832 O GLY A 60 0.074 15.827 -1.139 1.00 2.56 O ATOM 0 H GLY A 60 1.607 17.314 -3.137 1.00 1.65 H new ATOM 0 HA2 GLY A 60 1.704 18.552 -0.511 1.00 1.99 H new ATOM 0 HA3 GLY A 60 0.389 18.579 -1.669 1.00 1.99 H new ATOM 836 N ASP A 61 0.414 16.845 0.868 1.00 2.05 N ATOM 837 CA ASP A 61 -0.447 16.096 1.792 1.00 2.11 C ATOM 838 C ASP A 61 -0.815 14.651 1.443 1.00 1.79 C ATOM 839 O ASP A 61 -1.827 14.131 1.915 1.00 1.91 O ATOM 840 CB ASP A 61 -1.721 16.915 2.052 1.00 2.51 C ATOM 841 CG ASP A 61 -2.732 16.782 0.932 1.00 2.58 C ATOM 842 OD1 ASP A 61 -2.403 17.169 -0.207 1.00 2.68 O ATOM 843 OD2 ASP A 61 -3.866 16.350 1.211 1.00 3.35 O ATOM 0 H ASP A 61 1.032 17.478 1.375 1.00 2.05 H new ATOM 0 HA ASP A 61 0.175 15.968 2.678 1.00 2.11 H new ATOM 0 HB2 ASP A 61 -2.175 16.589 2.988 1.00 2.51 H new ATOM 0 HB3 ASP A 61 -1.456 17.965 2.175 1.00 2.51 H new ATOM 848 N PHE A 62 0.032 13.968 0.686 1.00 1.58 N ATOM 849 CA PHE A 62 -0.418 12.807 -0.061 1.00 1.30 C ATOM 850 C PHE A 62 -0.737 11.640 0.861 1.00 1.13 C ATOM 851 O PHE A 62 0.104 11.249 1.682 1.00 1.58 O ATOM 852 CB PHE A 62 0.574 12.432 -1.153 1.00 1.29 C ATOM 853 CG PHE A 62 0.000 11.446 -2.149 1.00 1.18 C ATOM 854 CD1 PHE A 62 -0.934 11.874 -3.110 1.00 1.98 C ATOM 855 CD2 PHE A 62 0.388 10.096 -2.107 1.00 1.73 C ATOM 856 CE1 PHE A 62 -1.491 10.948 -4.009 1.00 2.13 C ATOM 857 CE2 PHE A 62 -0.168 9.174 -3.007 1.00 1.72 C ATOM 858 CZ PHE A 62 -1.117 9.595 -3.953 1.00 1.40 C ATOM 0 H PHE A 62 1.020 14.195 0.575 1.00 1.58 H new ATOM 0 HA PHE A 62 -1.350 13.072 -0.561 1.00 1.30 H new ATOM 0 HB2 PHE A 62 0.887 13.334 -1.679 1.00 1.29 H new ATOM 0 HB3 PHE A 62 1.466 12.004 -0.696 1.00 1.29 H new ATOM 0 HD1 PHE A 62 -1.223 12.914 -3.157 1.00 1.98 H new ATOM 0 HD2 PHE A 62 1.116 9.767 -1.380 1.00 1.73 H new ATOM 0 HE1 PHE A 62 -2.209 11.278 -4.745 1.00 2.13 H new ATOM 0 HE2 PHE A 62 0.135 8.138 -2.972 1.00 1.72 H new ATOM 0 HZ PHE A 62 -1.557 8.882 -4.634 1.00 1.40 H new ATOM 868 N THR A 63 -1.964 11.141 0.741 1.00 0.95 N ATOM 869 CA THR A 63 -2.558 10.174 1.635 1.00 0.89 C ATOM 870 C THR A 63 -2.268 8.762 1.112 1.00 0.88 C ATOM 871 O THR A 63 -2.237 8.513 -0.094 1.00 1.55 O ATOM 872 CB THR A 63 -4.068 10.483 1.770 1.00 0.90 C ATOM 873 OG1 THR A 63 -4.732 10.093 0.583 1.00 1.05 O ATOM 874 CG2 THR A 63 -4.363 11.978 1.944 1.00 1.23 C ATOM 0 H THR A 63 -2.590 11.416 -0.016 1.00 0.95 H new ATOM 0 HA THR A 63 -2.128 10.233 2.635 1.00 0.89 H new ATOM 0 HB THR A 63 -4.409 9.941 2.652 1.00 0.90 H new ATOM 0 HG1 THR A 63 -5.653 10.427 0.598 1.00 1.05 H new ATOM 0 HG21 THR A 63 -5.439 12.129 2.033 1.00 1.23 H new ATOM 0 HG22 THR A 63 -3.870 12.344 2.844 1.00 1.23 H new ATOM 0 HG23 THR A 63 -3.990 12.526 1.078 1.00 1.23 H new ATOM 882 N GLY A 64 -2.097 7.802 2.016 1.00 0.66 N ATOM 883 CA GLY A 64 -2.030 6.402 1.640 1.00 0.59 C ATOM 884 C GLY A 64 -3.328 5.974 0.955 1.00 0.47 C ATOM 885 O GLY A 64 -3.304 5.167 0.032 1.00 0.46 O ATOM 0 H GLY A 64 -2.002 7.974 3.017 1.00 0.66 H new ATOM 0 HA2 GLY A 64 -1.186 6.238 0.970 1.00 0.59 H new ATOM 0 HA3 GLY A 64 -1.858 5.789 2.525 1.00 0.59 H new ATOM 889 N ARG A 65 -4.460 6.552 1.372 1.00 0.45 N ATOM 890 CA ARG A 65 -5.746 6.373 0.715 1.00 0.46 C ATOM 891 C ARG A 65 -5.566 6.588 -0.793 1.00 0.37 C ATOM 892 O ARG A 65 -5.850 5.702 -1.599 1.00 0.39 O ATOM 893 CB ARG A 65 -6.776 7.335 1.346 1.00 0.63 C ATOM 894 CG ARG A 65 -8.149 7.258 0.665 1.00 1.23 C ATOM 895 CD ARG A 65 -9.141 8.259 1.277 1.00 1.82 C ATOM 896 NE ARG A 65 -10.438 8.237 0.572 1.00 2.61 N ATOM 897 CZ ARG A 65 -10.690 8.780 -0.629 1.00 3.94 C ATOM 898 NH1 ARG A 65 -9.777 9.557 -1.214 1.00 5.09 N ATOM 899 NH2 ARG A 65 -11.845 8.542 -1.245 1.00 4.70 N ATOM 0 H ARG A 65 -4.502 7.164 2.187 1.00 0.45 H new ATOM 0 HA ARG A 65 -6.127 5.362 0.855 1.00 0.46 H new ATOM 0 HB2 ARG A 65 -6.886 7.100 2.405 1.00 0.63 H new ATOM 0 HB3 ARG A 65 -6.400 8.356 1.283 1.00 0.63 H new ATOM 0 HG2 ARG A 65 -8.039 7.459 -0.401 1.00 1.23 H new ATOM 0 HG3 ARG A 65 -8.546 6.247 0.759 1.00 1.23 H new ATOM 0 HD2 ARG A 65 -9.294 8.023 2.330 1.00 1.82 H new ATOM 0 HD3 ARG A 65 -8.719 9.263 1.234 1.00 1.82 H new ATOM 0 HE ARG A 65 -11.213 7.767 1.040 1.00 2.61 H new ATOM 0 HH11 ARG A 65 -8.888 9.738 -0.748 1.00 5.09 H new ATOM 0 HH12 ARG A 65 -9.968 9.970 -2.127 1.00 5.09 H new ATOM 0 HH21 ARG A 65 -12.544 7.944 -0.804 1.00 4.70 H new ATOM 0 HH22 ARG A 65 -12.031 8.957 -2.158 1.00 4.70 H new ATOM 913 N ALA A 66 -5.065 7.763 -1.171 1.00 0.40 N ATOM 914 CA ALA A 66 -4.828 8.096 -2.570 1.00 0.53 C ATOM 915 C ALA A 66 -3.823 7.141 -3.220 1.00 0.55 C ATOM 916 O ALA A 66 -3.959 6.800 -4.392 1.00 0.70 O ATOM 917 CB ALA A 66 -4.347 9.532 -2.691 1.00 0.60 C ATOM 0 H ALA A 66 -4.814 8.506 -0.518 1.00 0.40 H new ATOM 0 HA ALA A 66 -5.773 7.987 -3.102 1.00 0.53 H new ATOM 0 HB1 ALA A 66 -4.173 9.770 -3.740 1.00 0.60 H new ATOM 0 HB2 ALA A 66 -5.104 10.204 -2.287 1.00 0.60 H new ATOM 0 HB3 ALA A 66 -3.419 9.653 -2.133 1.00 0.60 H new ATOM 923 N ALA A 67 -2.801 6.698 -2.491 1.00 0.52 N ATOM 924 CA ALA A 67 -1.878 5.707 -3.029 1.00 0.66 C ATOM 925 C ALA A 67 -2.619 4.426 -3.422 1.00 0.64 C ATOM 926 O ALA A 67 -2.454 3.939 -4.537 1.00 0.86 O ATOM 927 CB ALA A 67 -0.771 5.414 -2.018 1.00 0.75 C ATOM 0 H ALA A 67 -2.594 7.005 -1.541 1.00 0.52 H new ATOM 0 HA ALA A 67 -1.421 6.113 -3.931 1.00 0.66 H new ATOM 0 HB1 ALA A 67 -0.088 4.672 -2.431 1.00 0.75 H new ATOM 0 HB2 ALA A 67 -0.223 6.331 -1.802 1.00 0.75 H new ATOM 0 HB3 ALA A 67 -1.211 5.029 -1.098 1.00 0.75 H new ATOM 933 N VAL A 68 -3.469 3.874 -2.556 1.00 0.44 N ATOM 934 CA VAL A 68 -4.243 2.706 -2.967 1.00 0.41 C ATOM 935 C VAL A 68 -5.111 3.071 -4.167 1.00 0.53 C ATOM 936 O VAL A 68 -5.165 2.332 -5.143 1.00 0.67 O ATOM 937 CB VAL A 68 -5.063 2.099 -1.823 1.00 0.30 C ATOM 938 CG1 VAL A 68 -5.645 0.749 -2.270 1.00 0.30 C ATOM 939 CG2 VAL A 68 -4.174 1.850 -0.611 1.00 0.37 C ATOM 0 H VAL A 68 -3.635 4.201 -1.604 1.00 0.44 H new ATOM 0 HA VAL A 68 -3.544 1.923 -3.261 1.00 0.41 H new ATOM 0 HB VAL A 68 -5.860 2.795 -1.562 1.00 0.30 H new ATOM 0 HG11 VAL A 68 -6.228 0.317 -1.457 1.00 0.30 H new ATOM 0 HG12 VAL A 68 -6.288 0.899 -3.137 1.00 0.30 H new ATOM 0 HG13 VAL A 68 -4.833 0.072 -2.533 1.00 0.30 H new ATOM 0 HG21 VAL A 68 -4.769 1.419 0.194 1.00 0.37 H new ATOM 0 HG22 VAL A 68 -3.375 1.160 -0.882 1.00 0.37 H new ATOM 0 HG23 VAL A 68 -3.741 2.793 -0.277 1.00 0.37 H new ATOM 949 N GLN A 69 -5.752 4.234 -4.130 1.00 0.59 N ATOM 950 CA GLN A 69 -6.534 4.736 -5.249 1.00 0.82 C ATOM 951 C GLN A 69 -5.707 4.855 -6.538 1.00 0.99 C ATOM 952 O GLN A 69 -6.269 4.794 -7.631 1.00 1.12 O ATOM 953 CB GLN A 69 -7.142 6.079 -4.854 1.00 0.93 C ATOM 954 CG GLN A 69 -8.172 5.928 -3.724 1.00 0.94 C ATOM 955 CD GLN A 69 -9.589 6.267 -4.158 1.00 1.45 C ATOM 956 OE1 GLN A 69 -10.310 5.424 -4.675 1.00 2.56 O ATOM 957 NE2 GLN A 69 -9.996 7.516 -3.960 1.00 2.02 N ATOM 0 H GLN A 69 -5.743 4.855 -3.321 1.00 0.59 H new ATOM 0 HA GLN A 69 -7.326 4.020 -5.470 1.00 0.82 H new ATOM 0 HB2 GLN A 69 -6.350 6.757 -4.536 1.00 0.93 H new ATOM 0 HB3 GLN A 69 -7.619 6.532 -5.723 1.00 0.93 H new ATOM 0 HG2 GLN A 69 -8.148 4.903 -3.353 1.00 0.94 H new ATOM 0 HG3 GLN A 69 -7.888 6.575 -2.894 1.00 0.94 H new ATOM 0 HE21 GLN A 69 -9.369 8.194 -3.526 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -10.935 7.797 -4.242 1.00 2.02 H new ATOM 966 N LEU A 70 -4.390 5.051 -6.462 1.00 1.05 N ATOM 967 CA LEU A 70 -3.538 4.998 -7.638 1.00 1.34 C ATOM 968 C LEU A 70 -3.540 3.562 -8.153 1.00 1.26 C ATOM 969 O LEU A 70 -3.747 3.316 -9.335 1.00 1.34 O ATOM 970 CB LEU A 70 -2.135 5.543 -7.313 1.00 1.52 C ATOM 971 CG LEU A 70 -1.056 5.236 -8.358 1.00 1.84 C ATOM 972 CD1 LEU A 70 -1.387 5.869 -9.703 1.00 1.82 C ATOM 973 CD2 LEU A 70 0.292 5.778 -7.868 1.00 2.96 C ATOM 0 H LEU A 70 -3.894 5.248 -5.593 1.00 1.05 H new ATOM 0 HA LEU A 70 -3.915 5.640 -8.434 1.00 1.34 H new ATOM 0 HB2 LEU A 70 -2.202 6.624 -7.191 1.00 1.52 H new ATOM 0 HB3 LEU A 70 -1.817 5.133 -6.355 1.00 1.52 H new ATOM 0 HG LEU A 70 -1.009 4.155 -8.490 1.00 1.84 H new ATOM 0 HD11 LEU A 70 -0.601 5.631 -10.420 1.00 1.82 H new ATOM 0 HD12 LEU A 70 -2.338 5.479 -10.064 1.00 1.82 H new ATOM 0 HD13 LEU A 70 -1.458 6.951 -9.588 1.00 1.82 H new ATOM 0 HD21 LEU A 70 1.062 5.562 -8.608 1.00 2.96 H new ATOM 0 HD22 LEU A 70 0.220 6.856 -7.724 1.00 2.96 H new ATOM 0 HD23 LEU A 70 0.554 5.302 -6.923 1.00 2.96 H new ATOM 985 N TRP A 71 -3.360 2.590 -7.269 1.00 1.13 N ATOM 986 CA TRP A 71 -3.287 1.191 -7.662 1.00 1.14 C ATOM 987 C TRP A 71 -4.640 0.687 -8.165 1.00 1.14 C ATOM 988 O TRP A 71 -4.681 -0.153 -9.055 1.00 1.37 O ATOM 989 CB TRP A 71 -2.728 0.367 -6.500 1.00 1.09 C ATOM 990 CG TRP A 71 -1.528 0.981 -5.851 1.00 1.02 C ATOM 991 CD1 TRP A 71 -0.661 1.825 -6.452 1.00 1.15 C ATOM 992 CD2 TRP A 71 -1.137 0.948 -4.450 1.00 0.84 C ATOM 993 NE1 TRP A 71 0.118 2.431 -5.499 1.00 0.97 N ATOM 994 CE2 TRP A 71 -0.110 1.915 -4.244 1.00 0.79 C ATOM 995 CE3 TRP A 71 -1.534 0.189 -3.334 1.00 0.81 C ATOM 996 CZ2 TRP A 71 0.438 2.166 -2.980 1.00 0.73 C ATOM 997 CZ3 TRP A 71 -0.950 0.396 -2.075 1.00 0.82 C ATOM 998 CH2 TRP A 71 -0.033 1.441 -1.880 1.00 0.83 C ATOM 0 H TRP A 71 -3.261 2.748 -6.266 1.00 1.13 H new ATOM 0 HA TRP A 71 -2.603 1.079 -8.503 1.00 1.14 H new ATOM 0 HB2 TRP A 71 -3.508 0.236 -5.750 1.00 1.09 H new ATOM 0 HB3 TRP A 71 -2.465 -0.626 -6.864 1.00 1.09 H new ATOM 0 HD1 TRP A 71 -0.592 1.996 -7.516 1.00 1.15 H new ATOM 0 HE1 TRP A 71 0.787 3.175 -5.697 1.00 0.97 H new ATOM 0 HE3 TRP A 71 -2.300 -0.564 -3.448 1.00 0.81 H new ATOM 0 HZ2 TRP A 71 1.213 2.908 -2.856 1.00 0.73 H new ATOM 0 HZ3 TRP A 71 -1.208 -0.253 -1.251 1.00 0.82 H new ATOM 0 HH2 TRP A 71 0.308 1.684 -0.884 1.00 0.83 H new ATOM 1009 N VAL A 72 -5.743 1.212 -7.632 1.00 0.94 N ATOM 1010 CA VAL A 72 -7.091 0.913 -8.099 1.00 0.93 C ATOM 1011 C VAL A 72 -7.442 1.753 -9.336 1.00 1.10 C ATOM 1012 O VAL A 72 -8.509 1.573 -9.928 1.00 1.03 O ATOM 1013 CB VAL A 72 -8.095 1.055 -6.932 1.00 0.81 C ATOM 1014 CG1 VAL A 72 -9.539 0.660 -7.289 1.00 0.88 C ATOM 1015 CG2 VAL A 72 -7.690 0.166 -5.747 1.00 0.71 C ATOM 0 H VAL A 72 -5.722 1.868 -6.851 1.00 0.94 H new ATOM 0 HA VAL A 72 -7.149 -0.124 -8.431 1.00 0.93 H new ATOM 0 HB VAL A 72 -8.066 2.116 -6.686 1.00 0.81 H new ATOM 0 HG11 VAL A 72 -10.178 0.789 -6.415 1.00 0.88 H new ATOM 0 HG12 VAL A 72 -9.900 1.294 -8.099 1.00 0.88 H new ATOM 0 HG13 VAL A 72 -9.563 -0.383 -7.606 1.00 0.88 H new ATOM 0 HG21 VAL A 72 -8.413 0.285 -4.940 1.00 0.71 H new ATOM 0 HG22 VAL A 72 -7.669 -0.876 -6.065 1.00 0.71 H new ATOM 0 HG23 VAL A 72 -6.701 0.458 -5.394 1.00 0.71 H new ATOM 1025 N SER A 73 -6.547 2.641 -9.783 1.00 1.40 N ATOM 1026 CA SER A 73 -6.764 3.419 -10.994 1.00 1.59 C ATOM 1027 C SER A 73 -7.122 2.496 -12.165 1.00 1.34 C ATOM 1028 O SER A 73 -7.986 2.865 -12.954 1.00 1.24 O ATOM 1029 CB SER A 73 -5.583 4.350 -11.294 1.00 2.10 C ATOM 1030 OG SER A 73 -5.930 5.333 -12.258 1.00 2.45 O ATOM 0 H SER A 73 -5.661 2.835 -9.316 1.00 1.40 H new ATOM 0 HA SER A 73 -7.618 4.078 -10.835 1.00 1.59 H new ATOM 0 HB2 SER A 73 -5.260 4.838 -10.375 1.00 2.10 H new ATOM 0 HB3 SER A 73 -4.739 3.764 -11.657 1.00 2.10 H new ATOM 0 HG SER A 73 -5.158 5.912 -12.427 1.00 2.45 H new ATOM 1036 N GLU A 74 -6.563 1.280 -12.217 1.00 1.32 N ATOM 1037 CA GLU A 74 -6.774 0.304 -13.286 1.00 1.29 C ATOM 1038 C GLU A 74 -8.233 -0.181 -13.458 1.00 1.12 C ATOM 1039 O GLU A 74 -8.472 -1.077 -14.265 1.00 1.19 O ATOM 1040 CB GLU A 74 -5.870 -0.933 -13.101 1.00 1.38 C ATOM 1041 CG GLU A 74 -4.495 -0.780 -12.419 1.00 2.03 C ATOM 1042 CD GLU A 74 -3.445 -0.018 -13.201 1.00 2.50 C ATOM 1043 OE1 GLU A 74 -3.783 1.047 -13.760 1.00 2.61 O ATOM 1044 OE2 GLU A 74 -2.281 -0.473 -13.181 1.00 3.90 O ATOM 0 H GLU A 74 -5.932 0.941 -11.491 1.00 1.32 H new ATOM 0 HA GLU A 74 -6.513 0.852 -14.191 1.00 1.29 H new ATOM 0 HB2 GLU A 74 -6.437 -1.668 -12.530 1.00 1.38 H new ATOM 0 HB3 GLU A 74 -5.698 -1.361 -14.089 1.00 1.38 H new ATOM 0 HG2 GLU A 74 -4.641 -0.279 -11.462 1.00 2.03 H new ATOM 0 HG3 GLU A 74 -4.107 -1.775 -12.202 1.00 2.03 H new ATOM 1051 N ARG A 75 -9.215 0.343 -12.720 1.00 1.11 N ATOM 1052 CA ARG A 75 -10.623 -0.029 -12.870 1.00 1.11 C ATOM 1053 C ARG A 75 -11.128 -0.069 -14.326 1.00 1.22 C ATOM 1054 O ARG A 75 -11.885 -0.980 -14.652 1.00 1.22 O ATOM 1055 CB ARG A 75 -11.502 0.823 -11.945 1.00 1.16 C ATOM 1056 CG ARG A 75 -12.926 0.272 -11.777 1.00 1.21 C ATOM 1057 CD ARG A 75 -13.718 1.147 -10.795 1.00 1.32 C ATOM 1058 NE ARG A 75 -13.420 0.833 -9.384 1.00 2.22 N ATOM 1059 CZ ARG A 75 -13.302 1.715 -8.374 1.00 3.20 C ATOM 1060 NH1 ARG A 75 -13.508 3.013 -8.590 1.00 3.42 N ATOM 1061 NH2 ARG A 75 -12.966 1.286 -7.158 1.00 4.81 N ATOM 0 H ARG A 75 -9.053 1.043 -11.996 1.00 1.11 H new ATOM 0 HA ARG A 75 -10.704 -1.069 -12.553 1.00 1.11 H new ATOM 0 HB2 ARG A 75 -11.028 0.889 -10.966 1.00 1.16 H new ATOM 0 HB3 ARG A 75 -11.557 1.837 -12.341 1.00 1.16 H new ATOM 0 HG2 ARG A 75 -13.431 0.247 -12.743 1.00 1.21 H new ATOM 0 HG3 ARG A 75 -12.886 -0.754 -11.411 1.00 1.21 H new ATOM 0 HD2 ARG A 75 -13.491 2.196 -10.985 1.00 1.32 H new ATOM 0 HD3 ARG A 75 -14.785 1.014 -10.975 1.00 1.32 H new ATOM 0 HE ARG A 75 -13.290 -0.151 -9.151 1.00 2.22 H new ATOM 0 HH11 ARG A 75 -13.756 3.342 -9.523 1.00 3.42 H new ATOM 0 HH12 ARG A 75 -13.418 3.678 -7.822 1.00 3.42 H new ATOM 0 HH21 ARG A 75 -12.799 0.293 -6.996 1.00 4.81 H new ATOM 0 HH22 ARG A 75 -12.875 1.951 -6.390 1.00 4.81 H new ATOM 1075 N PRO A 76 -10.723 0.834 -15.232 1.00 1.58 N ATOM 1076 CA PRO A 76 -11.054 0.719 -16.643 1.00 1.88 C ATOM 1077 C PRO A 76 -10.724 -0.652 -17.253 1.00 1.55 C ATOM 1078 O PRO A 76 -11.386 -1.077 -18.201 1.00 1.73 O ATOM 1079 CB PRO A 76 -10.300 1.853 -17.334 1.00 2.59 C ATOM 1080 CG PRO A 76 -10.251 2.921 -16.244 1.00 1.72 C ATOM 1081 CD PRO A 76 -10.020 2.081 -14.995 1.00 1.83 C ATOM 0 HA PRO A 76 -12.132 0.800 -16.782 1.00 1.88 H new ATOM 0 HB2 PRO A 76 -9.302 1.546 -17.648 1.00 2.59 H new ATOM 0 HB3 PRO A 76 -10.821 2.204 -18.225 1.00 2.59 H new ATOM 0 HG2 PRO A 76 -9.446 3.637 -16.409 1.00 1.72 H new ATOM 0 HG3 PRO A 76 -11.179 3.491 -16.188 1.00 1.72 H new ATOM 0 HD2 PRO A 76 -8.957 1.907 -14.830 1.00 1.83 H new ATOM 0 HD3 PRO A 76 -10.402 2.585 -14.107 1.00 1.83 H new ATOM 1089 N SER A 77 -9.679 -1.332 -16.776 1.00 1.41 N ATOM 1090 CA SER A 77 -9.317 -2.684 -17.187 1.00 1.38 C ATOM 1091 C SER A 77 -9.822 -3.746 -16.208 1.00 1.13 C ATOM 1092 O SER A 77 -10.067 -4.884 -16.598 1.00 1.38 O ATOM 1093 CB SER A 77 -7.799 -2.784 -17.378 1.00 1.88 C ATOM 1094 OG SER A 77 -7.087 -2.025 -16.412 1.00 2.17 O ATOM 0 H SER A 77 -9.047 -0.945 -16.075 1.00 1.41 H new ATOM 0 HA SER A 77 -9.809 -2.884 -18.139 1.00 1.38 H new ATOM 0 HB2 SER A 77 -7.494 -3.829 -17.314 1.00 1.88 H new ATOM 0 HB3 SER A 77 -7.536 -2.436 -18.377 1.00 1.88 H new ATOM 0 HG SER A 77 -7.654 -1.882 -15.626 1.00 2.17 H new ATOM 1100 N TYR A 78 -9.980 -3.412 -14.932 1.00 1.01 N ATOM 1101 CA TYR A 78 -10.293 -4.421 -13.936 1.00 1.04 C ATOM 1102 C TYR A 78 -11.806 -4.637 -13.986 1.00 1.11 C ATOM 1103 O TYR A 78 -12.585 -3.707 -13.790 1.00 1.36 O ATOM 1104 CB TYR A 78 -9.720 -4.015 -12.558 1.00 1.26 C ATOM 1105 CG TYR A 78 -10.690 -4.070 -11.396 1.00 0.91 C ATOM 1106 CD1 TYR A 78 -11.440 -5.236 -11.171 1.00 1.55 C ATOM 1107 CD2 TYR A 78 -10.952 -2.922 -10.626 1.00 2.01 C ATOM 1108 CE1 TYR A 78 -12.635 -5.155 -10.451 1.00 1.80 C ATOM 1109 CE2 TYR A 78 -12.079 -2.884 -9.792 1.00 2.13 C ATOM 1110 CZ TYR A 78 -12.952 -3.981 -9.754 1.00 1.47 C ATOM 1111 OH TYR A 78 -14.098 -3.934 -9.029 1.00 2.11 O ATOM 0 H TYR A 78 -9.897 -2.462 -14.569 1.00 1.01 H new ATOM 0 HA TYR A 78 -9.818 -5.381 -14.139 1.00 1.04 H new ATOM 0 HB2 TYR A 78 -8.875 -4.665 -12.332 1.00 1.26 H new ATOM 0 HB3 TYR A 78 -9.330 -3.000 -12.633 1.00 1.26 H new ATOM 0 HD1 TYR A 78 -11.096 -6.187 -11.551 1.00 1.55 H new ATOM 0 HD2 TYR A 78 -10.287 -2.072 -10.677 1.00 2.01 H new ATOM 0 HE1 TYR A 78 -13.313 -5.995 -10.432 1.00 1.80 H new ATOM 0 HE2 TYR A 78 -12.274 -2.014 -9.182 1.00 2.13 H new ATOM 0 HH TYR A 78 -14.316 -4.832 -8.703 1.00 2.11 H new ATOM 1121 N ASN A 79 -12.214 -5.870 -14.280 1.00 1.06 N ATOM 1122 CA ASN A 79 -13.604 -6.271 -14.419 1.00 1.17 C ATOM 1123 C ASN A 79 -13.713 -7.733 -13.997 1.00 1.14 C ATOM 1124 O ASN A 79 -12.842 -8.533 -14.332 1.00 1.61 O ATOM 1125 CB ASN A 79 -14.054 -6.070 -15.873 1.00 1.33 C ATOM 1126 CG ASN A 79 -15.541 -6.346 -16.052 1.00 1.59 C ATOM 1127 OD1 ASN A 79 -16.242 -6.697 -15.109 1.00 2.25 O ATOM 1128 ND2 ASN A 79 -16.056 -6.178 -17.260 1.00 2.29 N ATOM 0 H ASN A 79 -11.561 -6.639 -14.432 1.00 1.06 H new ATOM 0 HA ASN A 79 -14.254 -5.665 -13.788 1.00 1.17 H new ATOM 0 HB2 ASN A 79 -13.835 -5.048 -16.183 1.00 1.33 H new ATOM 0 HB3 ASN A 79 -13.481 -6.730 -16.525 1.00 1.33 H new ATOM 0 HD21 ASN A 79 -17.050 -6.341 -17.418 1.00 2.29 H new ATOM 0 HD22 ASN A 79 -15.458 -5.886 -18.033 1.00 2.29 H new ATOM 1135 N TYR A 80 -14.742 -8.079 -13.228 1.00 1.39 N ATOM 1136 CA TYR A 80 -15.012 -9.427 -12.750 1.00 1.47 C ATOM 1137 C TYR A 80 -15.931 -10.095 -13.783 1.00 1.82 C ATOM 1138 O TYR A 80 -15.706 -9.954 -14.988 1.00 2.12 O ATOM 1139 CB TYR A 80 -15.617 -9.299 -11.342 1.00 1.67 C ATOM 1140 CG TYR A 80 -15.520 -10.516 -10.445 1.00 1.64 C ATOM 1141 CD1 TYR A 80 -14.274 -10.869 -9.903 1.00 2.45 C ATOM 1142 CD2 TYR A 80 -16.679 -11.188 -10.017 1.00 2.32 C ATOM 1143 CE1 TYR A 80 -14.173 -11.953 -9.018 1.00 2.51 C ATOM 1144 CE2 TYR A 80 -16.579 -12.256 -9.111 1.00 2.40 C ATOM 1145 CZ TYR A 80 -15.328 -12.633 -8.608 1.00 1.89 C ATOM 1146 OH TYR A 80 -15.210 -13.689 -7.760 1.00 2.09 O ATOM 0 H TYR A 80 -15.435 -7.401 -12.910 1.00 1.39 H new ATOM 0 HA TYR A 80 -14.127 -10.057 -12.656 1.00 1.47 H new ATOM 0 HB2 TYR A 80 -15.130 -8.465 -10.837 1.00 1.67 H new ATOM 0 HB3 TYR A 80 -16.670 -9.037 -11.447 1.00 1.67 H new ATOM 0 HD1 TYR A 80 -13.392 -10.305 -10.168 1.00 2.45 H new ATOM 0 HD2 TYR A 80 -17.647 -10.882 -10.386 1.00 2.32 H new ATOM 0 HE1 TYR A 80 -13.205 -12.263 -8.653 1.00 2.51 H new ATOM 0 HE2 TYR A 80 -17.467 -12.787 -8.802 1.00 2.40 H new ATOM 0 HH TYR A 80 -16.099 -14.055 -7.568 1.00 2.09 H new ATOM 1156 N ALA A 81 -16.921 -10.865 -13.339 1.00 2.73 N ATOM 1157 CA ALA A 81 -18.059 -11.426 -14.033 1.00 3.34 C ATOM 1158 C ALA A 81 -17.613 -12.717 -14.696 1.00 3.54 C ATOM 1159 O ALA A 81 -18.122 -13.802 -14.431 1.00 4.00 O ATOM 1160 CB ALA A 81 -18.721 -10.414 -14.951 1.00 3.61 C ATOM 0 H ALA A 81 -16.938 -11.140 -12.357 1.00 2.73 H new ATOM 0 HA ALA A 81 -18.858 -11.679 -13.337 1.00 3.34 H new ATOM 0 HB1 ALA A 81 -19.571 -10.878 -15.452 1.00 3.61 H new ATOM 0 HB2 ALA A 81 -19.066 -9.562 -14.365 1.00 3.61 H new ATOM 0 HB3 ALA A 81 -18.002 -10.074 -15.696 1.00 3.61 H new ATOM 1166 N THR A 82 -16.591 -12.575 -15.526 1.00 3.33 N ATOM 1167 CA THR A 82 -15.991 -13.651 -16.280 1.00 3.64 C ATOM 1168 C THR A 82 -14.609 -13.974 -15.715 1.00 3.23 C ATOM 1169 O THR A 82 -14.163 -15.115 -15.812 1.00 3.90 O ATOM 1170 CB THR A 82 -16.013 -13.281 -17.764 1.00 4.04 C ATOM 1171 OG1 THR A 82 -15.071 -12.273 -18.070 1.00 3.63 O ATOM 1172 CG2 THR A 82 -17.417 -12.772 -18.115 1.00 4.54 C ATOM 0 H THR A 82 -16.145 -11.673 -15.695 1.00 3.33 H new ATOM 0 HA THR A 82 -16.558 -14.577 -16.186 1.00 3.64 H new ATOM 0 HB THR A 82 -15.755 -14.167 -18.343 1.00 4.04 H new ATOM 0 HG1 THR A 82 -15.114 -12.065 -19.027 1.00 3.63 H new ATOM 0 HG21 THR A 82 -17.453 -12.503 -19.171 1.00 4.54 H new ATOM 0 HG22 THR A 82 -18.148 -13.555 -17.915 1.00 4.54 H new ATOM 0 HG23 THR A 82 -17.649 -11.896 -17.509 1.00 4.54 H new ATOM 1180 N ASN A 83 -13.973 -12.989 -15.070 1.00 2.38 N ATOM 1181 CA ASN A 83 -12.636 -13.058 -14.494 1.00 1.94 C ATOM 1182 C ASN A 83 -11.614 -12.864 -15.603 1.00 2.21 C ATOM 1183 O ASN A 83 -11.231 -13.811 -16.279 1.00 3.12 O ATOM 1184 CB ASN A 83 -12.385 -14.340 -13.689 1.00 2.00 C ATOM 1185 CG ASN A 83 -11.091 -14.258 -12.894 1.00 1.66 C ATOM 1186 OD1 ASN A 83 -10.070 -13.761 -13.367 1.00 2.43 O ATOM 1187 ND2 ASN A 83 -11.114 -14.777 -11.681 1.00 1.50 N ATOM 0 H ASN A 83 -14.405 -12.076 -14.931 1.00 2.38 H new ATOM 0 HA ASN A 83 -12.537 -12.254 -13.764 1.00 1.94 H new ATOM 0 HB2 ASN A 83 -13.220 -14.513 -13.010 1.00 2.00 H new ATOM 0 HB3 ASN A 83 -12.343 -15.193 -14.366 1.00 2.00 H new ATOM 0 HD21 ASN A 83 -10.270 -14.773 -11.108 1.00 1.50 H new ATOM 0 HD22 ASN A 83 -11.976 -15.182 -11.316 1.00 1.50 H new ATOM 1194 N GLN A 84 -11.211 -11.618 -15.812 1.00 1.81 N ATOM 1195 CA GLN A 84 -10.172 -11.184 -16.730 1.00 2.04 C ATOM 1196 C GLN A 84 -9.685 -9.843 -16.183 1.00 1.57 C ATOM 1197 O GLN A 84 -10.327 -9.330 -15.274 1.00 1.86 O ATOM 1198 CB GLN A 84 -10.767 -11.028 -18.137 1.00 2.90 C ATOM 1199 CG GLN A 84 -12.145 -10.339 -18.107 1.00 3.99 C ATOM 1200 CD GLN A 84 -12.527 -9.790 -19.472 1.00 5.42 C ATOM 1201 OE1 GLN A 84 -12.856 -8.615 -19.607 1.00 6.65 O ATOM 1202 NE2 GLN A 84 -12.450 -10.616 -20.500 1.00 5.80 N ATOM 0 H GLN A 84 -11.630 -10.834 -15.311 1.00 1.81 H new ATOM 0 HA GLN A 84 -9.351 -11.897 -16.807 1.00 2.04 H new ATOM 0 HB2 GLN A 84 -10.084 -10.447 -18.757 1.00 2.90 H new ATOM 0 HB3 GLN A 84 -10.862 -12.010 -18.601 1.00 2.90 H new ATOM 0 HG2 GLN A 84 -12.901 -11.051 -17.776 1.00 3.99 H new ATOM 0 HG3 GLN A 84 -12.131 -9.528 -17.379 1.00 3.99 H new ATOM 0 HE21 GLN A 84 -12.173 -11.587 -20.354 1.00 5.80 H new ATOM 0 HE22 GLN A 84 -12.667 -10.283 -21.439 1.00 5.80 H new ATOM 1211 N CYS A 85 -8.644 -9.221 -16.740 1.00 1.52 N ATOM 1212 CA CYS A 85 -8.446 -7.779 -16.541 1.00 1.42 C ATOM 1213 C CYS A 85 -8.484 -7.062 -17.887 1.00 1.26 C ATOM 1214 O CYS A 85 -7.626 -6.241 -18.208 1.00 2.32 O ATOM 1215 CB CYS A 85 -7.201 -7.440 -15.728 1.00 1.90 C ATOM 1216 SG CYS A 85 -7.304 -5.709 -15.215 1.00 2.11 S ATOM 0 H CYS A 85 -7.939 -9.677 -17.319 1.00 1.52 H new ATOM 0 HA CYS A 85 -9.273 -7.415 -15.931 1.00 1.42 H new ATOM 0 HB2 CYS A 85 -7.130 -8.090 -14.856 1.00 1.90 H new ATOM 0 HB3 CYS A 85 -6.303 -7.606 -16.323 1.00 1.90 H new ATOM 1221 N VAL A 86 -9.484 -7.449 -18.681 1.00 1.64 N ATOM 1222 CA VAL A 86 -9.893 -6.906 -19.974 1.00 1.45 C ATOM 1223 C VAL A 86 -8.723 -6.982 -20.966 1.00 1.77 C ATOM 1224 O VAL A 86 -7.601 -7.349 -20.606 1.00 2.56 O ATOM 1225 CB VAL A 86 -10.464 -5.491 -19.730 1.00 1.29 C ATOM 1226 CG1 VAL A 86 -10.478 -4.485 -20.883 1.00 1.32 C ATOM 1227 CG2 VAL A 86 -11.852 -5.592 -19.101 1.00 1.25 C ATOM 0 H VAL A 86 -10.085 -8.226 -18.406 1.00 1.64 H new ATOM 0 HA VAL A 86 -10.686 -7.489 -20.442 1.00 1.45 H new ATOM 0 HB VAL A 86 -9.726 -5.054 -19.058 1.00 1.29 H new ATOM 0 HG11 VAL A 86 -10.911 -3.545 -20.540 1.00 1.32 H new ATOM 0 HG12 VAL A 86 -9.458 -4.311 -21.227 1.00 1.32 H new ATOM 0 HG13 VAL A 86 -11.075 -4.881 -21.704 1.00 1.32 H new ATOM 0 HG21 VAL A 86 -12.248 -4.591 -18.932 1.00 1.25 H new ATOM 0 HG22 VAL A 86 -12.517 -6.137 -19.771 1.00 1.25 H new ATOM 0 HG23 VAL A 86 -11.783 -6.120 -18.150 1.00 1.25 H new ATOM 1295 N CYS A 91 -2.574 -3.218 -16.228 1.00 1.66 N ATOM 1296 CA CYS A 91 -3.465 -3.495 -15.095 1.00 1.48 C ATOM 1297 C CYS A 91 -2.648 -3.959 -13.880 1.00 1.38 C ATOM 1298 O CYS A 91 -3.170 -4.447 -12.879 1.00 2.21 O ATOM 1299 CB CYS A 91 -4.516 -4.526 -15.530 1.00 1.75 C ATOM 1300 SG CYS A 91 -5.558 -5.199 -14.213 1.00 2.51 S ATOM 0 HA CYS A 91 -3.989 -2.589 -14.790 1.00 1.48 H new ATOM 0 HB2 CYS A 91 -5.162 -4.064 -16.277 1.00 1.75 H new ATOM 0 HB3 CYS A 91 -4.003 -5.354 -16.020 1.00 1.75 H new ATOM 1305 N ARG A 92 -1.320 -3.860 -13.960 1.00 1.16 N ATOM 1306 CA ARG A 92 -0.425 -4.551 -13.047 1.00 1.07 C ATOM 1307 C ARG A 92 -0.263 -3.758 -11.750 1.00 1.08 C ATOM 1308 O ARG A 92 0.858 -3.382 -11.430 1.00 1.71 O ATOM 1309 CB ARG A 92 0.908 -4.791 -13.789 1.00 1.35 C ATOM 1310 CG ARG A 92 1.931 -5.706 -13.092 1.00 1.72 C ATOM 1311 CD ARG A 92 1.276 -7.055 -12.797 1.00 1.41 C ATOM 1312 NE ARG A 92 2.229 -8.158 -12.572 1.00 2.08 N ATOM 1313 CZ ARG A 92 2.419 -9.181 -13.424 1.00 2.68 C ATOM 1314 NH1 ARG A 92 2.252 -8.998 -14.736 1.00 3.58 N ATOM 1315 NH2 ARG A 92 2.781 -10.369 -12.948 1.00 3.40 N ATOM 0 H ARG A 92 -0.840 -3.297 -14.662 1.00 1.16 H new ATOM 0 HA ARG A 92 -0.832 -5.517 -12.747 1.00 1.07 H new ATOM 0 HB2 ARG A 92 0.682 -5.216 -14.767 1.00 1.35 H new ATOM 0 HB3 ARG A 92 1.380 -3.824 -13.963 1.00 1.35 H new ATOM 0 HG2 ARG A 92 2.806 -5.844 -13.727 1.00 1.72 H new ATOM 0 HG3 ARG A 92 2.278 -5.246 -12.167 1.00 1.72 H new ATOM 0 HD2 ARG A 92 0.643 -6.953 -11.916 1.00 1.41 H new ATOM 0 HD3 ARG A 92 0.624 -7.318 -13.630 1.00 1.41 H new ATOM 0 HE ARG A 92 2.780 -8.144 -11.714 1.00 2.08 H new ATOM 0 HH11 ARG A 92 1.980 -8.082 -15.093 1.00 3.58 H new ATOM 0 HH12 ARG A 92 2.396 -9.774 -15.382 1.00 3.58 H new ATOM 0 HH21 ARG A 92 2.912 -10.498 -11.945 1.00 3.40 H new ATOM 0 HH22 ARG A 92 2.927 -11.151 -13.586 1.00 3.40 H new ATOM 1329 N HIS A 93 -1.344 -3.500 -11.010 1.00 0.94 N ATOM 1330 CA HIS A 93 -1.322 -2.864 -9.693 1.00 0.83 C ATOM 1331 C HIS A 93 -2.574 -3.250 -8.901 1.00 0.71 C ATOM 1332 O HIS A 93 -2.459 -3.816 -7.814 1.00 0.68 O ATOM 1333 CB HIS A 93 -1.201 -1.332 -9.787 1.00 0.91 C ATOM 1334 CG HIS A 93 0.180 -0.755 -10.017 1.00 1.03 C ATOM 1335 ND1 HIS A 93 1.387 -1.331 -9.702 1.00 1.32 N flip ATOM 1336 CD2 HIS A 93 0.440 0.504 -10.529 1.00 1.12 C flip ATOM 1337 CE1 HIS A 93 2.368 -0.431 -10.063 1.00 1.55 C flip ATOM 1338 NE2 HIS A 93 1.775 0.659 -10.572 1.00 1.40 N flip ATOM 0 H HIS A 93 -2.286 -3.735 -11.321 1.00 0.94 H new ATOM 0 HA HIS A 93 -0.436 -3.226 -9.171 1.00 0.83 H new ATOM 0 HB2 HIS A 93 -1.847 -0.992 -10.596 1.00 0.91 H new ATOM 0 HB3 HIS A 93 -1.595 -0.906 -8.864 1.00 0.91 H new ATOM 0 HD2 HIS A 93 -0.296 1.231 -10.838 1.00 1.12 H new ATOM 0 HE1 HIS A 93 3.432 -0.579 -9.954 1.00 1.55 H new ATOM 0 HE2 HIS A 93 2.261 1.479 -10.935 1.00 1.40 H new ATOM 1347 N TYR A 94 -3.767 -2.967 -9.434 1.00 0.67 N ATOM 1348 CA TYR A 94 -5.041 -3.302 -8.793 1.00 0.58 C ATOM 1349 C TYR A 94 -5.058 -4.760 -8.350 1.00 0.55 C ATOM 1350 O TYR A 94 -5.480 -5.100 -7.248 1.00 0.54 O ATOM 1351 CB TYR A 94 -6.200 -3.070 -9.770 1.00 0.60 C ATOM 1352 CG TYR A 94 -7.519 -3.643 -9.286 1.00 0.72 C ATOM 1353 CD1 TYR A 94 -8.266 -2.923 -8.343 1.00 1.86 C ATOM 1354 CD2 TYR A 94 -7.917 -4.949 -9.638 1.00 1.49 C ATOM 1355 CE1 TYR A 94 -9.456 -3.448 -7.828 1.00 2.16 C ATOM 1356 CE2 TYR A 94 -9.060 -5.516 -9.043 1.00 1.58 C ATOM 1357 CZ TYR A 94 -9.849 -4.747 -8.169 1.00 1.44 C ATOM 1358 OH TYR A 94 -11.036 -5.210 -7.703 1.00 1.84 O ATOM 0 H TYR A 94 -3.875 -2.494 -10.331 1.00 0.67 H new ATOM 0 HA TYR A 94 -5.155 -2.660 -7.920 1.00 0.58 H new ATOM 0 HB2 TYR A 94 -6.317 -1.999 -9.936 1.00 0.60 H new ATOM 0 HB3 TYR A 94 -5.949 -3.517 -10.732 1.00 0.60 H new ATOM 0 HD1 TYR A 94 -7.920 -1.955 -8.011 1.00 1.86 H new ATOM 0 HD2 TYR A 94 -7.347 -5.513 -10.362 1.00 1.49 H new ATOM 0 HE1 TYR A 94 -10.070 -2.852 -7.169 1.00 2.16 H new ATOM 0 HE2 TYR A 94 -9.330 -6.539 -9.257 1.00 1.58 H new ATOM 0 HH TYR A 94 -11.740 -5.023 -8.359 1.00 1.84 H new ATOM 1368 N THR A 95 -4.599 -5.633 -9.233 1.00 0.59 N ATOM 1369 CA THR A 95 -4.548 -7.056 -8.999 1.00 0.62 C ATOM 1370 C THR A 95 -3.840 -7.396 -7.681 1.00 0.61 C ATOM 1371 O THR A 95 -4.173 -8.395 -7.055 1.00 0.68 O ATOM 1372 CB THR A 95 -3.869 -7.668 -10.226 1.00 0.72 C ATOM 1373 OG1 THR A 95 -2.842 -6.797 -10.676 1.00 0.80 O ATOM 1374 CG2 THR A 95 -4.876 -7.797 -11.374 1.00 0.94 C ATOM 0 H THR A 95 -4.245 -5.360 -10.150 1.00 0.59 H new ATOM 0 HA THR A 95 -5.547 -7.475 -8.878 1.00 0.62 H new ATOM 0 HB THR A 95 -3.472 -8.645 -9.948 1.00 0.72 H new ATOM 0 HG1 THR A 95 -2.088 -7.326 -11.010 1.00 0.80 H new ATOM 0 HG21 THR A 95 -4.383 -8.234 -12.243 1.00 0.94 H new ATOM 0 HG22 THR A 95 -5.701 -8.439 -11.064 1.00 0.94 H new ATOM 0 HG23 THR A 95 -5.261 -6.811 -11.633 1.00 0.94 H new ATOM 1382 N GLN A 96 -2.884 -6.578 -7.227 1.00 0.63 N ATOM 1383 CA GLN A 96 -2.242 -6.773 -5.950 1.00 0.67 C ATOM 1384 C GLN A 96 -3.160 -6.333 -4.813 1.00 0.63 C ATOM 1385 O GLN A 96 -3.207 -6.997 -3.785 1.00 0.71 O ATOM 1386 CB GLN A 96 -0.926 -5.995 -5.917 1.00 0.76 C ATOM 1387 CG GLN A 96 0.265 -6.948 -5.894 1.00 1.35 C ATOM 1388 CD GLN A 96 0.574 -7.588 -4.545 1.00 1.01 C ATOM 1389 OE1 GLN A 96 1.735 -7.868 -4.288 1.00 2.12 O ATOM 1390 NE2 GLN A 96 -0.404 -7.891 -3.699 1.00 0.83 N ATOM 0 H GLN A 96 -2.544 -5.767 -7.744 1.00 0.63 H new ATOM 0 HA GLN A 96 -2.030 -7.834 -5.815 1.00 0.67 H new ATOM 0 HB2 GLN A 96 -0.861 -5.345 -6.789 1.00 0.76 H new ATOM 0 HB3 GLN A 96 -0.900 -5.352 -5.037 1.00 0.76 H new ATOM 0 HG2 GLN A 96 0.086 -7.742 -6.619 1.00 1.35 H new ATOM 0 HG3 GLN A 96 1.149 -6.404 -6.228 1.00 1.35 H new ATOM 0 HE21 GLN A 96 -1.369 -7.651 -3.927 1.00 0.83 H new ATOM 0 HE22 GLN A 96 -0.190 -8.364 -2.821 1.00 0.83 H new ATOM 1399 N VAL A 97 -3.858 -5.213 -4.988 1.00 0.56 N ATOM 1400 CA VAL A 97 -4.785 -4.685 -3.997 1.00 0.52 C ATOM 1401 C VAL A 97 -5.861 -5.735 -3.700 1.00 0.53 C ATOM 1402 O VAL A 97 -6.234 -5.960 -2.544 1.00 0.64 O ATOM 1403 CB VAL A 97 -5.372 -3.359 -4.519 1.00 0.47 C ATOM 1404 CG1 VAL A 97 -6.445 -2.777 -3.604 1.00 0.44 C ATOM 1405 CG2 VAL A 97 -4.265 -2.312 -4.658 1.00 0.55 C ATOM 0 H VAL A 97 -3.793 -4.643 -5.831 1.00 0.56 H new ATOM 0 HA VAL A 97 -4.277 -4.472 -3.057 1.00 0.52 H new ATOM 0 HB VAL A 97 -5.827 -3.592 -5.481 1.00 0.47 H new ATOM 0 HG11 VAL A 97 -6.818 -1.844 -4.028 1.00 0.44 H new ATOM 0 HG12 VAL A 97 -7.267 -3.487 -3.510 1.00 0.44 H new ATOM 0 HG13 VAL A 97 -6.018 -2.584 -2.620 1.00 0.44 H new ATOM 0 HG21 VAL A 97 -4.691 -1.379 -5.028 1.00 0.55 H new ATOM 0 HG22 VAL A 97 -3.803 -2.140 -3.686 1.00 0.55 H new ATOM 0 HG23 VAL A 97 -3.512 -2.670 -5.360 1.00 0.55 H new ATOM 1415 N VAL A 98 -6.350 -6.386 -4.754 1.00 0.48 N ATOM 1416 CA VAL A 98 -7.363 -7.416 -4.645 1.00 0.50 C ATOM 1417 C VAL A 98 -6.818 -8.806 -4.320 1.00 0.56 C ATOM 1418 O VAL A 98 -7.599 -9.641 -3.876 1.00 0.72 O ATOM 1419 CB VAL A 98 -8.305 -7.357 -5.865 1.00 0.54 C ATOM 1420 CG1 VAL A 98 -8.220 -8.568 -6.785 1.00 0.59 C ATOM 1421 CG2 VAL A 98 -9.756 -7.252 -5.420 1.00 0.58 C ATOM 0 H VAL A 98 -6.047 -6.207 -5.711 1.00 0.48 H new ATOM 0 HA VAL A 98 -7.964 -7.199 -3.762 1.00 0.50 H new ATOM 0 HB VAL A 98 -7.974 -6.477 -6.417 1.00 0.54 H new ATOM 0 HG11 VAL A 98 -8.915 -8.443 -7.616 1.00 0.59 H new ATOM 0 HG12 VAL A 98 -7.205 -8.661 -7.172 1.00 0.59 H new ATOM 0 HG13 VAL A 98 -8.479 -9.468 -6.227 1.00 0.59 H new ATOM 0 HG21 VAL A 98 -10.403 -7.212 -6.296 1.00 0.58 H new ATOM 0 HG22 VAL A 98 -10.015 -8.122 -4.817 1.00 0.58 H new ATOM 0 HG23 VAL A 98 -9.890 -6.347 -4.828 1.00 0.58 H new ATOM 1431 N TRP A 99 -5.513 -9.043 -4.506 1.00 0.56 N ATOM 1432 CA TRP A 99 -4.911 -10.372 -4.561 1.00 0.59 C ATOM 1433 C TRP A 99 -5.562 -11.420 -3.658 1.00 0.54 C ATOM 1434 O TRP A 99 -5.327 -11.458 -2.453 1.00 0.74 O ATOM 1435 CB TRP A 99 -3.409 -10.309 -4.264 1.00 0.84 C ATOM 1436 CG TRP A 99 -2.665 -11.564 -4.601 1.00 1.04 C ATOM 1437 CD1 TRP A 99 -2.186 -12.442 -3.691 1.00 1.24 C ATOM 1438 CD2 TRP A 99 -2.382 -12.156 -5.904 1.00 1.18 C ATOM 1439 NE1 TRP A 99 -1.607 -13.510 -4.332 1.00 1.45 N ATOM 1440 CE2 TRP A 99 -1.729 -13.404 -5.699 1.00 1.44 C ATOM 1441 CE3 TRP A 99 -2.592 -11.754 -7.237 1.00 1.21 C ATOM 1442 CZ2 TRP A 99 -1.316 -14.217 -6.764 1.00 1.68 C ATOM 1443 CZ3 TRP A 99 -2.216 -12.578 -8.315 1.00 1.47 C ATOM 1444 CH2 TRP A 99 -1.604 -13.820 -8.075 1.00 1.70 C ATOM 0 H TRP A 99 -4.833 -8.292 -4.625 1.00 0.56 H new ATOM 0 HA TRP A 99 -5.088 -10.703 -5.584 1.00 0.59 H new ATOM 0 HB2 TRP A 99 -2.974 -9.480 -4.823 1.00 0.84 H new ATOM 0 HB3 TRP A 99 -3.268 -10.089 -3.206 1.00 0.84 H new ATOM 0 HD1 TRP A 99 -2.249 -12.321 -2.620 1.00 1.24 H new ATOM 0 HE1 TRP A 99 -1.145 -14.284 -3.855 1.00 1.45 H new ATOM 0 HE3 TRP A 99 -3.050 -10.796 -7.436 1.00 1.21 H new ATOM 0 HZ2 TRP A 99 -0.783 -15.137 -6.575 1.00 1.68 H new ATOM 0 HZ3 TRP A 99 -2.398 -12.255 -9.329 1.00 1.47 H new ATOM 0 HH2 TRP A 99 -1.356 -14.468 -8.902 1.00 1.70 H new ATOM 1455 N ARG A 100 -6.324 -12.311 -4.301 1.00 0.50 N ATOM 1456 CA ARG A 100 -7.019 -13.425 -3.692 1.00 0.74 C ATOM 1457 C ARG A 100 -6.137 -14.131 -2.671 1.00 0.70 C ATOM 1458 O ARG A 100 -6.535 -14.289 -1.520 1.00 0.89 O ATOM 1459 CB ARG A 100 -7.526 -14.365 -4.798 1.00 1.00 C ATOM 1460 CG ARG A 100 -8.223 -15.599 -4.211 1.00 1.43 C ATOM 1461 CD ARG A 100 -7.335 -16.849 -4.154 1.00 2.48 C ATOM 1462 NE ARG A 100 -7.422 -17.643 -5.387 1.00 3.86 N ATOM 1463 CZ ARG A 100 -6.914 -18.881 -5.506 1.00 5.23 C ATOM 1464 NH1 ARG A 100 -6.255 -19.457 -4.497 1.00 5.68 N ATOM 1465 NH2 ARG A 100 -7.042 -19.557 -6.644 1.00 6.66 N ATOM 0 H ARG A 100 -6.473 -12.263 -5.309 1.00 0.50 H new ATOM 0 HA ARG A 100 -7.884 -13.063 -3.136 1.00 0.74 H new ATOM 0 HB2 ARG A 100 -8.220 -13.827 -5.444 1.00 1.00 H new ATOM 0 HB3 ARG A 100 -6.689 -14.680 -5.421 1.00 1.00 H new ATOM 0 HG2 ARG A 100 -8.567 -15.364 -3.204 1.00 1.43 H new ATOM 0 HG3 ARG A 100 -9.108 -15.821 -4.807 1.00 1.43 H new ATOM 0 HD2 ARG A 100 -6.300 -16.551 -3.987 1.00 2.48 H new ATOM 0 HD3 ARG A 100 -7.630 -17.465 -3.305 1.00 2.48 H new ATOM 0 HE ARG A 100 -7.892 -17.233 -6.194 1.00 3.86 H new ATOM 0 HH11 ARG A 100 -6.130 -18.956 -3.617 1.00 5.68 H new ATOM 0 HH12 ARG A 100 -5.876 -20.398 -4.606 1.00 5.68 H new ATOM 0 HH21 ARG A 100 -7.529 -19.136 -7.435 1.00 6.66 H new ATOM 0 HH22 ARG A 100 -6.653 -20.496 -6.726 1.00 6.66 H new ATOM 1479 N ASN A 101 -4.957 -14.603 -3.078 1.00 0.61 N ATOM 1480 CA ASN A 101 -4.116 -15.410 -2.197 1.00 0.72 C ATOM 1481 C ASN A 101 -3.273 -14.495 -1.308 1.00 0.65 C ATOM 1482 O ASN A 101 -2.051 -14.596 -1.301 1.00 1.29 O ATOM 1483 CB ASN A 101 -3.269 -16.400 -3.015 1.00 1.08 C ATOM 1484 CG ASN A 101 -2.754 -17.572 -2.172 1.00 1.54 C ATOM 1485 OD1 ASN A 101 -3.080 -18.726 -2.438 1.00 2.07 O ATOM 1486 ND2 ASN A 101 -1.950 -17.326 -1.150 1.00 2.33 N ATOM 0 H ASN A 101 -4.566 -14.441 -4.006 1.00 0.61 H new ATOM 0 HA ASN A 101 -4.742 -16.013 -1.539 1.00 0.72 H new ATOM 0 HB2 ASN A 101 -3.866 -16.786 -3.841 1.00 1.08 H new ATOM 0 HB3 ASN A 101 -2.422 -15.872 -3.453 1.00 1.08 H new ATOM 0 HD21 ASN A 101 -1.599 -18.096 -0.580 1.00 2.33 H new ATOM 0 HD22 ASN A 101 -1.681 -16.366 -0.932 1.00 2.33 H new ATOM 1493 N SER A 102 -3.908 -13.564 -0.600 1.00 1.34 N ATOM 1494 CA SER A 102 -3.306 -12.772 0.460 1.00 1.48 C ATOM 1495 C SER A 102 -4.116 -12.937 1.738 1.00 1.77 C ATOM 1496 O SER A 102 -5.302 -13.271 1.700 1.00 2.68 O ATOM 1497 CB SER A 102 -3.241 -11.289 0.086 1.00 1.94 C ATOM 1498 OG SER A 102 -2.381 -10.605 0.983 1.00 3.00 O ATOM 0 H SER A 102 -4.890 -13.335 -0.757 1.00 1.34 H new ATOM 0 HA SER A 102 -2.287 -13.128 0.611 1.00 1.48 H new ATOM 0 HB2 SER A 102 -2.879 -11.178 -0.936 1.00 1.94 H new ATOM 0 HB3 SER A 102 -4.239 -10.852 0.120 1.00 1.94 H new ATOM 0 HG SER A 102 -1.611 -11.173 1.195 1.00 3.00 H new ATOM 1504 N VAL A 103 -3.468 -12.648 2.862 1.00 1.19 N ATOM 1505 CA VAL A 103 -4.110 -12.335 4.130 1.00 1.19 C ATOM 1506 C VAL A 103 -3.405 -11.132 4.791 1.00 0.86 C ATOM 1507 O VAL A 103 -3.627 -10.885 5.978 1.00 1.10 O ATOM 1508 CB VAL A 103 -4.185 -13.584 5.038 1.00 1.40 C ATOM 1509 CG1 VAL A 103 -5.135 -14.639 4.457 1.00 1.83 C ATOM 1510 CG2 VAL A 103 -2.827 -14.248 5.302 1.00 1.33 C ATOM 0 H VAL A 103 -2.450 -12.625 2.915 1.00 1.19 H new ATOM 0 HA VAL A 103 -5.144 -12.039 3.954 1.00 1.19 H new ATOM 0 HB VAL A 103 -4.562 -13.209 5.990 1.00 1.40 H new ATOM 0 HG11 VAL A 103 -5.166 -15.505 5.119 1.00 1.83 H new ATOM 0 HG12 VAL A 103 -6.136 -14.217 4.365 1.00 1.83 H new ATOM 0 HG13 VAL A 103 -4.780 -14.946 3.474 1.00 1.83 H new ATOM 0 HG21 VAL A 103 -2.966 -15.116 5.947 1.00 1.33 H new ATOM 0 HG22 VAL A 103 -2.387 -14.565 4.356 1.00 1.33 H new ATOM 0 HG23 VAL A 103 -2.163 -13.536 5.791 1.00 1.33 H new ATOM 1520 N ARG A 104 -2.515 -10.429 4.069 1.00 0.91 N ATOM 1521 CA ARG A 104 -1.532 -9.525 4.666 1.00 0.74 C ATOM 1522 C ARG A 104 -1.222 -8.361 3.719 1.00 0.59 C ATOM 1523 O ARG A 104 -0.929 -8.599 2.545 1.00 0.55 O ATOM 1524 CB ARG A 104 -0.210 -10.253 4.996 1.00 0.78 C ATOM 1525 CG ARG A 104 -0.156 -11.787 4.997 1.00 1.17 C ATOM 1526 CD ARG A 104 0.411 -12.351 6.295 1.00 1.62 C ATOM 1527 NE ARG A 104 1.759 -11.841 6.591 1.00 2.13 N ATOM 1528 CZ ARG A 104 2.518 -12.335 7.581 1.00 2.78 C ATOM 1529 NH1 ARG A 104 2.033 -13.321 8.342 1.00 3.07 N ATOM 1530 NH2 ARG A 104 3.744 -11.875 7.820 1.00 4.00 N ATOM 0 H ARG A 104 -2.462 -10.476 3.051 1.00 0.91 H new ATOM 0 HA ARG A 104 -1.971 -9.150 5.590 1.00 0.74 H new ATOM 0 HB2 ARG A 104 0.538 -9.903 4.285 1.00 0.78 H new ATOM 0 HB3 ARG A 104 0.107 -9.917 5.983 1.00 0.78 H new ATOM 0 HG2 ARG A 104 -1.160 -12.183 4.841 1.00 1.17 H new ATOM 0 HG3 ARG A 104 0.454 -12.126 4.160 1.00 1.17 H new ATOM 0 HD2 ARG A 104 -0.257 -12.100 7.119 1.00 1.62 H new ATOM 0 HD3 ARG A 104 0.444 -13.439 6.231 1.00 1.62 H new ATOM 0 HE ARG A 104 2.131 -11.082 6.021 1.00 2.13 H new ATOM 0 HH11 ARG A 104 1.098 -13.688 8.166 1.00 3.07 H new ATOM 0 HH12 ARG A 104 2.598 -13.707 9.098 1.00 3.07 H new ATOM 0 HH21 ARG A 104 4.130 -11.127 7.243 1.00 4.00 H new ATOM 0 HH22 ARG A 104 4.298 -12.270 8.580 1.00 4.00 H new ATOM 1544 N LEU A 105 -1.294 -7.118 4.197 1.00 0.72 N ATOM 1545 CA LEU A 105 -0.737 -5.974 3.492 1.00 0.56 C ATOM 1546 C LEU A 105 -0.261 -4.930 4.484 1.00 0.77 C ATOM 1547 O LEU A 105 -0.921 -4.690 5.495 1.00 1.20 O ATOM 1548 CB LEU A 105 -1.792 -5.385 2.565 1.00 1.00 C ATOM 1549 CG LEU A 105 -1.487 -4.010 1.952 1.00 0.96 C ATOM 1550 CD1 LEU A 105 -1.879 -2.793 2.798 1.00 1.79 C ATOM 1551 CD2 LEU A 105 -0.149 -3.834 1.243 1.00 2.69 C ATOM 0 H LEU A 105 -1.740 -6.881 5.083 1.00 0.72 H new ATOM 0 HA LEU A 105 0.117 -6.298 2.898 1.00 0.56 H new ATOM 0 HB2 LEU A 105 -1.960 -6.090 1.751 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -2.727 -5.310 3.120 1.00 1.00 H new ATOM 0 HG LEU A 105 -2.203 -4.034 1.131 1.00 0.96 H new ATOM 0 HD11 LEU A 105 -1.616 -1.879 2.265 1.00 1.79 H new ATOM 0 HD12 LEU A 105 -2.953 -2.809 2.983 1.00 1.79 H new ATOM 0 HD13 LEU A 105 -1.347 -2.824 3.749 1.00 1.79 H new ATOM 0 HD21 LEU A 105 -0.071 -2.816 0.861 1.00 2.69 H new ATOM 0 HD22 LEU A 105 0.663 -4.021 1.946 1.00 2.69 H new ATOM 0 HD23 LEU A 105 -0.081 -4.539 0.414 1.00 2.69 H new ATOM 1563 N GLY A 106 0.822 -4.260 4.103 1.00 0.70 N ATOM 1564 CA GLY A 106 1.614 -3.391 4.960 1.00 0.64 C ATOM 1565 C GLY A 106 2.290 -2.294 4.149 1.00 0.57 C ATOM 1566 O GLY A 106 2.974 -2.585 3.170 1.00 0.64 O ATOM 0 H GLY A 106 1.184 -4.311 3.151 1.00 0.70 H new ATOM 0 HA2 GLY A 106 0.975 -2.944 5.721 1.00 0.64 H new ATOM 0 HA3 GLY A 106 2.368 -3.979 5.483 1.00 0.64 H new ATOM 1570 N CYS A 107 2.114 -1.032 4.547 1.00 0.51 N ATOM 1571 CA CYS A 107 2.752 0.148 3.958 1.00 0.52 C ATOM 1572 C CYS A 107 3.731 0.871 4.859 1.00 0.52 C ATOM 1573 O CYS A 107 3.606 0.852 6.083 1.00 0.61 O ATOM 1574 CB CYS A 107 1.748 1.185 3.438 1.00 0.84 C ATOM 1575 SG CYS A 107 1.322 1.194 1.693 1.00 2.08 S ATOM 0 H CYS A 107 1.496 -0.794 5.323 1.00 0.51 H new ATOM 0 HA CYS A 107 3.310 -0.290 3.130 1.00 0.52 H new ATOM 0 HB2 CYS A 107 0.823 1.057 4.001 1.00 0.84 H new ATOM 0 HB3 CYS A 107 2.138 2.172 3.686 1.00 0.84 H new ATOM 1580 N GLY A 108 4.640 1.592 4.201 1.00 0.63 N ATOM 1581 CA GLY A 108 5.521 2.579 4.789 1.00 0.71 C ATOM 1582 C GLY A 108 5.581 3.797 3.869 1.00 0.79 C ATOM 1583 O GLY A 108 5.257 3.689 2.683 1.00 1.47 O ATOM 0 H GLY A 108 4.782 1.492 3.196 1.00 0.63 H new ATOM 0 HA2 GLY A 108 5.158 2.869 5.775 1.00 0.71 H new ATOM 0 HA3 GLY A 108 6.518 2.161 4.926 1.00 0.71 H new ATOM 1587 N ARG A 109 5.946 4.960 4.415 1.00 0.76 N ATOM 1588 CA ARG A 109 5.888 6.248 3.733 1.00 0.64 C ATOM 1589 C ARG A 109 7.195 6.995 3.985 1.00 0.64 C ATOM 1590 O ARG A 109 7.695 7.032 5.112 1.00 1.01 O ATOM 1591 CB ARG A 109 4.658 7.013 4.241 1.00 0.71 C ATOM 1592 CG ARG A 109 4.419 8.405 3.629 1.00 0.76 C ATOM 1593 CD ARG A 109 2.998 8.852 4.021 1.00 0.99 C ATOM 1594 NE ARG A 109 2.617 10.193 3.530 1.00 1.39 N ATOM 1595 CZ ARG A 109 2.430 11.258 4.330 1.00 2.28 C ATOM 1596 NH1 ARG A 109 3.095 11.357 5.477 1.00 3.03 N ATOM 1597 NH2 ARG A 109 1.550 12.195 3.978 1.00 2.99 N ATOM 0 H ARG A 109 6.299 5.030 5.369 1.00 0.76 H new ATOM 0 HA ARG A 109 5.782 6.131 2.655 1.00 0.64 H new ATOM 0 HB2 ARG A 109 3.775 6.402 4.056 1.00 0.71 H new ATOM 0 HB3 ARG A 109 4.747 7.125 5.322 1.00 0.71 H new ATOM 0 HG2 ARG A 109 5.159 9.116 3.997 1.00 0.76 H new ATOM 0 HG3 ARG A 109 4.523 8.369 2.545 1.00 0.76 H new ATOM 0 HD2 ARG A 109 2.284 8.123 3.638 1.00 0.99 H new ATOM 0 HD3 ARG A 109 2.914 8.840 5.108 1.00 0.99 H new ATOM 0 HE ARG A 109 2.488 10.318 2.526 1.00 1.39 H new ATOM 0 HH11 ARG A 109 3.749 10.624 5.752 1.00 3.03 H new ATOM 0 HH12 ARG A 109 2.951 12.166 6.082 1.00 3.03 H new ATOM 0 HH21 ARG A 109 1.025 12.101 3.108 1.00 2.99 H new ATOM 0 HH22 ARG A 109 1.401 13.006 4.578 1.00 2.99 H new ATOM 1611 N ALA A 110 7.791 7.552 2.936 1.00 0.52 N ATOM 1612 CA ALA A 110 9.033 8.297 3.030 1.00 0.55 C ATOM 1613 C ALA A 110 8.911 9.531 2.160 1.00 0.55 C ATOM 1614 O ALA A 110 8.380 9.463 1.053 1.00 0.64 O ATOM 1615 CB ALA A 110 10.221 7.440 2.593 1.00 0.67 C ATOM 0 H ALA A 110 7.418 7.496 1.988 1.00 0.52 H new ATOM 0 HA ALA A 110 9.211 8.587 4.065 1.00 0.55 H new ATOM 0 HB1 ALA A 110 11.139 8.022 2.673 1.00 0.67 H new ATOM 0 HB2 ALA A 110 10.291 6.562 3.235 1.00 0.67 H new ATOM 0 HB3 ALA A 110 10.081 7.124 1.559 1.00 0.67 H new ATOM 1621 N ARG A 111 9.397 10.661 2.661 1.00 0.57 N ATOM 1622 CA ARG A 111 9.621 11.794 1.791 1.00 0.60 C ATOM 1623 C ARG A 111 10.846 11.472 0.935 1.00 0.54 C ATOM 1624 O ARG A 111 11.664 10.641 1.324 1.00 1.11 O ATOM 1625 CB ARG A 111 9.781 13.065 2.626 1.00 0.82 C ATOM 1626 CG ARG A 111 9.496 14.310 1.779 1.00 1.06 C ATOM 1627 CD ARG A 111 9.315 15.531 2.684 1.00 1.38 C ATOM 1628 NE ARG A 111 8.656 16.620 1.951 1.00 2.04 N ATOM 1629 CZ ARG A 111 7.537 17.240 2.347 1.00 3.11 C ATOM 1630 NH1 ARG A 111 7.147 17.195 3.621 1.00 3.71 N ATOM 1631 NH2 ARG A 111 6.773 17.878 1.466 1.00 4.45 N ATOM 0 H ARG A 111 9.636 10.810 3.641 1.00 0.57 H new ATOM 0 HA ARG A 111 8.775 11.978 1.129 1.00 0.60 H new ATOM 0 HB2 ARG A 111 9.101 13.035 3.477 1.00 0.82 H new ATOM 0 HB3 ARG A 111 10.793 13.117 3.028 1.00 0.82 H new ATOM 0 HG2 ARG A 111 10.317 14.482 1.083 1.00 1.06 H new ATOM 0 HG3 ARG A 111 8.598 14.155 1.181 1.00 1.06 H new ATOM 0 HD2 ARG A 111 8.721 15.260 3.556 1.00 1.38 H new ATOM 0 HD3 ARG A 111 10.285 15.866 3.051 1.00 1.38 H new ATOM 0 HE ARG A 111 9.082 16.926 1.076 1.00 2.04 H new ATOM 0 HH11 ARG A 111 7.703 16.684 4.307 1.00 3.71 H new ATOM 0 HH12 ARG A 111 6.293 17.671 3.910 1.00 3.71 H new ATOM 0 HH21 ARG A 111 7.038 17.898 0.481 1.00 4.45 H new ATOM 0 HH22 ARG A 111 5.922 18.348 1.775 1.00 4.45 H new ATOM 1645 N CYS A 112 10.962 12.097 -0.230 1.00 1.00 N ATOM 1646 CA CYS A 112 12.027 11.845 -1.182 1.00 0.86 C ATOM 1647 C CYS A 112 12.538 13.103 -1.832 1.00 1.08 C ATOM 1648 O CYS A 112 11.916 14.158 -1.742 1.00 1.30 O ATOM 1649 CB CYS A 112 11.590 10.889 -2.283 1.00 1.06 C ATOM 1650 SG CYS A 112 10.744 9.387 -1.803 1.00 1.58 S ATOM 0 H CYS A 112 10.301 12.809 -0.543 1.00 1.00 H new ATOM 0 HA CYS A 112 12.829 11.397 -0.595 1.00 0.86 H new ATOM 0 HB2 CYS A 112 10.937 11.438 -2.962 1.00 1.06 H new ATOM 0 HB3 CYS A 112 12.476 10.606 -2.851 1.00 1.06 H new ATOM 1690 N TRP A 116 8.771 13.000 -3.851 1.00 1.62 N ATOM 1691 CA TRP A 116 7.774 13.616 -3.007 1.00 0.92 C ATOM 1692 C TRP A 116 7.474 12.765 -1.764 1.00 0.82 C ATOM 1693 O TRP A 116 8.385 12.152 -1.219 1.00 0.89 O ATOM 1694 CB TRP A 116 6.585 13.884 -3.918 1.00 1.49 C ATOM 1695 CG TRP A 116 6.738 14.985 -4.919 1.00 1.75 C ATOM 1696 CD1 TRP A 116 6.731 16.299 -4.616 1.00 2.25 C ATOM 1697 CD2 TRP A 116 6.746 14.914 -6.375 1.00 1.90 C ATOM 1698 NE1 TRP A 116 6.686 17.047 -5.770 1.00 2.61 N ATOM 1699 CE2 TRP A 116 6.650 16.242 -6.890 1.00 2.42 C ATOM 1700 CE3 TRP A 116 6.809 13.864 -7.313 1.00 1.90 C ATOM 1701 CZ2 TRP A 116 6.555 16.507 -8.265 1.00 2.77 C ATOM 1702 CZ3 TRP A 116 6.680 14.118 -8.691 1.00 2.36 C ATOM 1703 CH2 TRP A 116 6.537 15.433 -9.168 1.00 2.72 C ATOM 0 HA TRP A 116 8.109 14.557 -2.570 1.00 0.92 H new ATOM 0 HB2 TRP A 116 6.355 12.965 -4.457 1.00 1.49 H new ATOM 0 HB3 TRP A 116 5.722 14.111 -3.292 1.00 1.49 H new ATOM 0 HD1 TRP A 116 6.757 16.704 -3.615 1.00 2.25 H new ATOM 0 HE1 TRP A 116 6.680 18.067 -5.794 1.00 2.61 H new ATOM 0 HE3 TRP A 116 6.958 12.851 -6.970 1.00 1.90 H new ATOM 0 HZ2 TRP A 116 6.497 17.524 -8.623 1.00 2.77 H new ATOM 0 HZ3 TRP A 116 6.691 13.294 -9.390 1.00 2.36 H new ATOM 0 HH2 TRP A 116 6.414 15.616 -10.225 1.00 2.72 H new ATOM 1714 N TRP A 117 6.223 12.730 -1.297 1.00 1.03 N ATOM 1715 CA TRP A 117 5.788 11.841 -0.236 1.00 1.16 C ATOM 1716 C TRP A 117 5.470 10.509 -0.895 1.00 1.32 C ATOM 1717 O TRP A 117 4.343 10.282 -1.339 1.00 1.93 O ATOM 1718 CB TRP A 117 4.547 12.413 0.458 1.00 1.36 C ATOM 1719 CG TRP A 117 4.824 13.384 1.558 1.00 1.36 C ATOM 1720 CD1 TRP A 117 4.484 14.690 1.574 1.00 1.56 C ATOM 1721 CD2 TRP A 117 5.464 13.123 2.842 1.00 1.26 C ATOM 1722 NE1 TRP A 117 4.822 15.243 2.789 1.00 1.58 N ATOM 1723 CE2 TRP A 117 5.423 14.318 3.620 1.00 1.42 C ATOM 1724 CE3 TRP A 117 6.071 11.993 3.430 1.00 1.13 C ATOM 1725 CZ2 TRP A 117 5.926 14.377 4.928 1.00 1.45 C ATOM 1726 CZ3 TRP A 117 6.575 12.039 4.742 1.00 1.16 C ATOM 1727 CH2 TRP A 117 6.478 13.219 5.500 1.00 1.32 C ATOM 0 H TRP A 117 5.480 13.330 -1.655 1.00 1.03 H new ATOM 0 HA TRP A 117 6.558 11.724 0.526 1.00 1.16 H new ATOM 0 HB2 TRP A 117 3.926 12.904 -0.291 1.00 1.36 H new ATOM 0 HB3 TRP A 117 3.964 11.586 0.863 1.00 1.36 H new ATOM 0 HD1 TRP A 117 4.017 15.221 0.757 1.00 1.56 H new ATOM 0 HE1 TRP A 117 4.650 16.216 3.044 1.00 1.58 H new ATOM 0 HE3 TRP A 117 6.150 11.077 2.863 1.00 1.13 H new ATOM 0 HZ2 TRP A 117 5.889 15.300 5.488 1.00 1.45 H new ATOM 0 HZ3 TRP A 117 7.039 11.163 5.170 1.00 1.16 H new ATOM 0 HH2 TRP A 117 6.828 13.235 6.522 1.00 1.32 H new ATOM 1738 N PHE A 118 6.484 9.665 -0.995 1.00 0.95 N ATOM 1739 CA PHE A 118 6.373 8.370 -1.625 1.00 1.05 C ATOM 1740 C PHE A 118 5.850 7.360 -0.624 1.00 0.81 C ATOM 1741 O PHE A 118 6.099 7.472 0.578 1.00 1.07 O ATOM 1742 CB PHE A 118 7.742 7.968 -2.143 1.00 1.19 C ATOM 1743 CG PHE A 118 7.791 6.806 -3.116 1.00 1.50 C ATOM 1744 CD1 PHE A 118 7.821 7.059 -4.501 1.00 2.92 C ATOM 1745 CD2 PHE A 118 8.121 5.525 -2.637 1.00 1.56 C ATOM 1746 CE1 PHE A 118 8.347 6.096 -5.377 1.00 3.16 C ATOM 1747 CE2 PHE A 118 8.542 4.529 -3.531 1.00 1.60 C ATOM 1748 CZ PHE A 118 8.714 4.829 -4.893 1.00 1.97 C ATOM 0 H PHE A 118 7.417 9.867 -0.635 1.00 0.95 H new ATOM 0 HA PHE A 118 5.673 8.409 -2.460 1.00 1.05 H new ATOM 0 HB2 PHE A 118 8.190 8.836 -2.627 1.00 1.19 H new ATOM 0 HB3 PHE A 118 8.370 7.721 -1.287 1.00 1.19 H new ATOM 0 HD1 PHE A 118 7.440 7.992 -4.889 1.00 2.92 H new ATOM 0 HD2 PHE A 118 8.050 5.308 -1.581 1.00 1.56 H new ATOM 0 HE1 PHE A 118 8.470 6.329 -6.424 1.00 3.16 H new ATOM 0 HE2 PHE A 118 8.734 3.529 -3.171 1.00 1.60 H new ATOM 0 HZ PHE A 118 9.126 4.090 -5.564 1.00 1.97 H new ATOM 1758 N ILE A 119 5.133 6.371 -1.134 1.00 0.49 N ATOM 1759 CA ILE A 119 4.571 5.277 -0.380 1.00 0.49 C ATOM 1760 C ILE A 119 4.999 3.999 -1.073 1.00 0.48 C ATOM 1761 O ILE A 119 5.098 3.942 -2.299 1.00 0.59 O ATOM 1762 CB ILE A 119 3.046 5.446 -0.294 1.00 0.61 C ATOM 1763 CG1 ILE A 119 2.730 6.483 0.796 1.00 0.68 C ATOM 1764 CG2 ILE A 119 2.331 4.115 -0.045 1.00 0.71 C ATOM 1765 CD1 ILE A 119 1.793 7.571 0.278 1.00 0.90 C ATOM 0 H ILE A 119 4.921 6.313 -2.130 1.00 0.49 H new ATOM 0 HA ILE A 119 4.928 5.249 0.650 1.00 0.49 H new ATOM 0 HB ILE A 119 2.670 5.804 -1.252 1.00 0.61 H new ATOM 0 HG12 ILE A 119 2.274 5.985 1.652 1.00 0.68 H new ATOM 0 HG13 ILE A 119 3.657 6.937 1.148 1.00 0.68 H new ATOM 0 HG21 ILE A 119 1.256 4.284 0.008 1.00 0.71 H new ATOM 0 HG22 ILE A 119 2.550 3.426 -0.861 1.00 0.71 H new ATOM 0 HG23 ILE A 119 2.678 3.686 0.895 1.00 0.71 H new ATOM 0 HD11 ILE A 119 1.591 8.287 1.075 1.00 0.90 H new ATOM 0 HD12 ILE A 119 2.261 8.085 -0.561 1.00 0.90 H new ATOM 0 HD13 ILE A 119 0.857 7.119 -0.050 1.00 0.90 H new ATOM 1777 N SER A 120 5.260 2.970 -0.283 1.00 0.54 N ATOM 1778 CA SER A 120 5.504 1.624 -0.755 1.00 0.50 C ATOM 1779 C SER A 120 4.621 0.735 0.104 1.00 0.48 C ATOM 1780 O SER A 120 4.443 1.041 1.282 1.00 0.54 O ATOM 1781 CB SER A 120 6.996 1.318 -0.616 1.00 0.62 C ATOM 1782 OG SER A 120 7.733 2.405 -1.152 1.00 1.80 O ATOM 0 H SER A 120 5.308 3.055 0.732 1.00 0.54 H new ATOM 0 HA SER A 120 5.262 1.469 -1.807 1.00 0.50 H new ATOM 0 HB2 SER A 120 7.255 1.166 0.432 1.00 0.62 H new ATOM 0 HB3 SER A 120 7.244 0.397 -1.143 1.00 0.62 H new ATOM 0 HG SER A 120 8.541 2.067 -1.592 1.00 1.80 H new ATOM 1788 N CYS A 121 4.032 -0.301 -0.484 1.00 0.52 N ATOM 1789 CA CYS A 121 3.190 -1.271 0.202 1.00 0.51 C ATOM 1790 C CYS A 121 3.672 -2.631 -0.231 1.00 0.50 C ATOM 1791 O CYS A 121 3.722 -2.871 -1.434 1.00 0.68 O ATOM 1792 CB CYS A 121 1.720 -1.114 -0.187 1.00 0.67 C ATOM 1793 SG CYS A 121 0.620 -0.677 1.173 1.00 1.22 S ATOM 0 H CYS A 121 4.131 -0.493 -1.481 1.00 0.52 H new ATOM 0 HA CYS A 121 3.258 -1.128 1.281 1.00 0.51 H new ATOM 0 HB2 CYS A 121 1.643 -0.348 -0.959 1.00 0.67 H new ATOM 0 HB3 CYS A 121 1.374 -2.048 -0.630 1.00 0.67 H new ATOM 1798 N ASN A 122 4.043 -3.490 0.711 1.00 0.43 N ATOM 1799 CA ASN A 122 4.477 -4.853 0.451 1.00 0.44 C ATOM 1800 C ASN A 122 3.367 -5.789 0.927 1.00 0.44 C ATOM 1801 O ASN A 122 2.562 -5.392 1.768 1.00 0.50 O ATOM 1802 CB ASN A 122 5.833 -5.104 1.117 1.00 0.63 C ATOM 1803 CG ASN A 122 6.552 -6.293 0.492 1.00 1.11 C ATOM 1804 OD1 ASN A 122 6.211 -7.437 0.767 1.00 2.60 O ATOM 1805 ND2 ASN A 122 7.568 -6.070 -0.338 1.00 1.25 N ATOM 0 H ASN A 122 4.050 -3.249 1.702 1.00 0.43 H new ATOM 0 HA ASN A 122 4.637 -5.038 -0.611 1.00 0.44 H new ATOM 0 HB2 ASN A 122 6.454 -4.213 1.026 1.00 0.63 H new ATOM 0 HB3 ASN A 122 5.688 -5.284 2.182 1.00 0.63 H new ATOM 0 HD21 ASN A 122 8.071 -6.855 -0.752 1.00 1.25 H new ATOM 0 HD22 ASN A 122 7.844 -5.114 -0.561 1.00 1.25 H new ATOM 1812 N TYR A 123 3.253 -6.970 0.321 1.00 0.45 N ATOM 1813 CA TYR A 123 2.128 -7.881 0.504 1.00 0.47 C ATOM 1814 C TYR A 123 2.682 -9.291 0.643 1.00 0.52 C ATOM 1815 O TYR A 123 3.681 -9.604 -0.010 1.00 0.59 O ATOM 1816 CB TYR A 123 1.207 -7.863 -0.724 1.00 0.44 C ATOM 1817 CG TYR A 123 0.542 -6.547 -1.071 1.00 0.43 C ATOM 1818 CD1 TYR A 123 1.282 -5.523 -1.691 1.00 1.86 C ATOM 1819 CD2 TYR A 123 -0.849 -6.410 -0.928 1.00 1.91 C ATOM 1820 CE1 TYR A 123 0.636 -4.369 -2.167 1.00 1.86 C ATOM 1821 CE2 TYR A 123 -1.497 -5.268 -1.429 1.00 1.92 C ATOM 1822 CZ TYR A 123 -0.758 -4.263 -2.073 1.00 0.47 C ATOM 1823 OH TYR A 123 -1.383 -3.150 -2.550 1.00 0.56 O ATOM 0 H TYR A 123 3.957 -7.326 -0.325 1.00 0.45 H new ATOM 0 HA TYR A 123 1.563 -7.574 1.384 1.00 0.47 H new ATOM 0 HB2 TYR A 123 1.789 -8.186 -1.587 1.00 0.44 H new ATOM 0 HB3 TYR A 123 0.425 -8.607 -0.571 1.00 0.44 H new ATOM 0 HD1 TYR A 123 2.352 -5.624 -1.802 1.00 1.86 H new ATOM 0 HD2 TYR A 123 -1.420 -7.182 -0.433 1.00 1.91 H new ATOM 0 HE1 TYR A 123 1.212 -3.567 -2.604 1.00 1.86 H new ATOM 0 HE2 TYR A 123 -2.566 -5.163 -1.318 1.00 1.92 H new ATOM 0 HH TYR A 123 -2.269 -3.071 -2.139 1.00 0.56 H new ATOM 1833 N ASP A 124 2.015 -10.135 1.432 1.00 0.59 N ATOM 1834 CA ASP A 124 2.394 -11.528 1.634 1.00 0.67 C ATOM 1835 C ASP A 124 1.173 -12.454 1.491 1.00 0.60 C ATOM 1836 O ASP A 124 0.053 -12.049 1.824 1.00 0.65 O ATOM 1837 CB ASP A 124 3.054 -11.678 3.009 1.00 0.91 C ATOM 1838 CG ASP A 124 3.327 -13.125 3.362 1.00 1.32 C ATOM 1839 OD1 ASP A 124 2.417 -13.805 3.876 1.00 2.68 O ATOM 1840 OD2 ASP A 124 4.477 -13.552 3.140 1.00 1.66 O ATOM 0 H ASP A 124 1.183 -9.862 1.956 1.00 0.59 H new ATOM 0 HA ASP A 124 3.111 -11.823 0.868 1.00 0.67 H new ATOM 0 HB2 ASP A 124 3.990 -11.120 3.023 1.00 0.91 H new ATOM 0 HB3 ASP A 124 2.409 -11.237 3.769 1.00 0.91 H new ATOM 1845 N PRO A 125 1.353 -13.684 0.975 1.00 0.62 N ATOM 1846 CA PRO A 125 2.483 -14.083 0.146 1.00 0.73 C ATOM 1847 C PRO A 125 2.504 -13.216 -1.119 1.00 0.70 C ATOM 1848 O PRO A 125 1.592 -12.424 -1.357 1.00 0.68 O ATOM 1849 CB PRO A 125 2.263 -15.565 -0.170 1.00 0.84 C ATOM 1850 CG PRO A 125 0.749 -15.720 -0.065 1.00 0.76 C ATOM 1851 CD PRO A 125 0.391 -14.765 1.074 1.00 0.64 C ATOM 0 HA PRO A 125 3.446 -13.946 0.638 1.00 0.73 H new ATOM 0 HB2 PRO A 125 2.627 -15.823 -1.165 1.00 0.84 H new ATOM 0 HB3 PRO A 125 2.784 -16.210 0.538 1.00 0.84 H new ATOM 0 HG2 PRO A 125 0.249 -15.447 -0.994 1.00 0.76 H new ATOM 0 HG3 PRO A 125 0.462 -16.747 0.162 1.00 0.76 H new ATOM 0 HD2 PRO A 125 -0.629 -14.395 0.973 1.00 0.64 H new ATOM 0 HD3 PRO A 125 0.455 -15.263 2.041 1.00 0.64 H new ATOM 1859 N VAL A 126 3.572 -13.317 -1.911 1.00 0.78 N ATOM 1860 CA VAL A 126 3.762 -12.391 -3.013 1.00 0.78 C ATOM 1861 C VAL A 126 2.575 -12.410 -3.980 1.00 0.71 C ATOM 1862 O VAL A 126 2.135 -13.465 -4.437 1.00 0.87 O ATOM 1863 CB VAL A 126 5.116 -12.581 -3.711 1.00 0.96 C ATOM 1864 CG1 VAL A 126 6.275 -12.456 -2.714 1.00 1.16 C ATOM 1865 CG2 VAL A 126 5.233 -13.929 -4.432 1.00 1.10 C ATOM 0 H VAL A 126 4.304 -14.020 -1.808 1.00 0.78 H new ATOM 0 HA VAL A 126 3.793 -11.387 -2.589 1.00 0.78 H new ATOM 0 HB VAL A 126 5.175 -11.788 -4.457 1.00 0.96 H new ATOM 0 HG11 VAL A 126 7.221 -12.595 -3.237 1.00 1.16 H new ATOM 0 HG12 VAL A 126 6.256 -11.467 -2.256 1.00 1.16 H new ATOM 0 HG13 VAL A 126 6.173 -13.217 -1.940 1.00 1.16 H new ATOM 0 HG21 VAL A 126 6.212 -14.004 -4.906 1.00 1.10 H new ATOM 0 HG22 VAL A 126 5.115 -14.738 -3.712 1.00 1.10 H new ATOM 0 HG23 VAL A 126 4.455 -14.004 -5.192 1.00 1.10 H new ATOM 1875 N GLY A 127 2.054 -11.224 -4.280 1.00 0.93 N ATOM 1876 CA GLY A 127 0.874 -11.036 -5.095 1.00 1.00 C ATOM 1877 C GLY A 127 1.258 -10.411 -6.425 1.00 0.93 C ATOM 1878 O GLY A 127 2.332 -9.836 -6.570 1.00 1.08 O ATOM 0 H GLY A 127 2.458 -10.347 -3.950 1.00 0.93 H new ATOM 0 HA2 GLY A 127 0.381 -11.993 -5.262 1.00 1.00 H new ATOM 0 HA3 GLY A 127 0.161 -10.396 -4.575 1.00 1.00 H new ATOM 1882 N ASN A 128 0.379 -10.528 -7.417 1.00 0.90 N ATOM 1883 CA ASN A 128 0.683 -10.275 -8.825 1.00 0.95 C ATOM 1884 C ASN A 128 1.761 -11.236 -9.336 1.00 1.07 C ATOM 1885 O ASN A 128 2.468 -10.932 -10.298 1.00 1.27 O ATOM 1886 CB ASN A 128 1.026 -8.793 -9.107 1.00 1.03 C ATOM 1887 CG ASN A 128 -0.153 -8.048 -9.709 1.00 1.14 C ATOM 1888 OD1 ASN A 128 -0.781 -8.520 -10.652 1.00 1.66 O ATOM 1889 ND2 ASN A 128 -0.459 -6.852 -9.228 1.00 1.59 N ATOM 0 H ASN A 128 -0.589 -10.808 -7.261 1.00 0.90 H new ATOM 0 HA ASN A 128 -0.227 -10.475 -9.391 1.00 0.95 H new ATOM 0 HB2 ASN A 128 1.329 -8.307 -8.180 1.00 1.03 H new ATOM 0 HB3 ASN A 128 1.876 -8.739 -9.787 1.00 1.03 H new ATOM 0 HD21 ASN A 128 -1.222 -6.316 -9.642 1.00 1.59 H new ATOM 0 HD22 ASN A 128 0.068 -6.467 -8.444 1.00 1.59 H new ATOM 1896 N TRP A 129 1.867 -12.409 -8.713 1.00 1.04 N ATOM 1897 CA TRP A 129 2.772 -13.478 -9.105 1.00 1.12 C ATOM 1898 C TRP A 129 1.956 -14.444 -9.980 1.00 1.23 C ATOM 1899 O TRP A 129 0.750 -14.245 -10.138 1.00 1.26 O ATOM 1900 CB TRP A 129 3.393 -14.025 -7.808 1.00 1.05 C ATOM 1901 CG TRP A 129 3.565 -15.476 -7.533 1.00 1.13 C ATOM 1902 CD1 TRP A 129 2.639 -16.265 -6.956 1.00 1.26 C ATOM 1903 CD2 TRP A 129 4.819 -16.218 -7.471 1.00 1.28 C ATOM 1904 NE1 TRP A 129 3.226 -17.453 -6.571 1.00 1.43 N ATOM 1905 CE2 TRP A 129 4.576 -17.467 -6.834 1.00 1.45 C ATOM 1906 CE3 TRP A 129 6.155 -15.924 -7.820 1.00 1.40 C ATOM 1907 CZ2 TRP A 129 5.600 -18.388 -6.570 1.00 1.67 C ATOM 1908 CZ3 TRP A 129 7.191 -16.838 -7.554 1.00 1.64 C ATOM 1909 CH2 TRP A 129 6.917 -18.068 -6.934 1.00 1.76 C ATOM 0 H TRP A 129 1.305 -12.645 -7.895 1.00 1.04 H new ATOM 0 HA TRP A 129 3.624 -13.195 -9.723 1.00 1.12 H new ATOM 0 HB2 TRP A 129 4.384 -13.577 -7.729 1.00 1.05 H new ATOM 0 HB3 TRP A 129 2.796 -13.625 -6.988 1.00 1.05 H new ATOM 0 HD1 TRP A 129 1.599 -16.008 -6.816 1.00 1.26 H new ATOM 0 HE1 TRP A 129 2.719 -18.228 -6.143 1.00 1.43 H new ATOM 0 HE3 TRP A 129 6.385 -14.983 -8.298 1.00 1.40 H new ATOM 0 HZ2 TRP A 129 5.378 -19.331 -6.093 1.00 1.67 H new ATOM 0 HZ3 TRP A 129 8.206 -16.592 -7.829 1.00 1.64 H new ATOM 0 HH2 TRP A 129 7.718 -18.766 -6.738 1.00 1.76 H new ATOM 1920 N ILE A 130 2.589 -15.399 -10.660 1.00 1.53 N ATOM 1921 CA ILE A 130 1.906 -16.242 -11.646 1.00 1.54 C ATOM 1922 C ILE A 130 1.250 -17.470 -11.008 1.00 1.63 C ATOM 1923 O ILE A 130 1.197 -17.576 -9.781 1.00 2.02 O ATOM 1924 CB ILE A 130 2.804 -16.470 -12.885 1.00 1.83 C ATOM 1925 CG1 ILE A 130 2.044 -16.086 -14.166 1.00 2.06 C ATOM 1926 CG2 ILE A 130 3.503 -17.830 -12.976 1.00 2.06 C ATOM 1927 CD1 ILE A 130 2.895 -16.214 -15.429 1.00 2.55 C ATOM 0 H ILE A 130 3.580 -15.611 -10.546 1.00 1.53 H new ATOM 0 HA ILE A 130 1.040 -15.718 -12.050 1.00 1.54 H new ATOM 0 HB ILE A 130 3.652 -15.797 -12.760 1.00 1.83 H new ATOM 0 HG12 ILE A 130 1.163 -16.721 -14.263 1.00 2.06 H new ATOM 0 HG13 ILE A 130 1.689 -15.059 -14.077 1.00 2.06 H new ATOM 0 HG21 ILE A 130 4.102 -17.871 -13.885 1.00 2.06 H new ATOM 0 HG22 ILE A 130 4.149 -17.966 -12.109 1.00 2.06 H new ATOM 0 HG23 ILE A 130 2.755 -18.623 -12.999 1.00 2.06 H new ATOM 0 HD11 ILE A 130 2.302 -15.929 -16.298 1.00 2.55 H new ATOM 0 HD12 ILE A 130 3.763 -15.559 -15.351 1.00 2.55 H new ATOM 0 HD13 ILE A 130 3.228 -17.246 -15.540 1.00 2.55 H new ATOM 1939 N GLY A 131 0.702 -18.374 -11.820 1.00 1.69 N ATOM 1940 CA GLY A 131 0.013 -19.562 -11.344 1.00 2.02 C ATOM 1941 C GLY A 131 -1.402 -19.200 -10.915 1.00 2.08 C ATOM 1942 O GLY A 131 -2.375 -19.597 -11.555 1.00 3.19 O ATOM 0 H GLY A 131 0.727 -18.296 -12.837 1.00 1.69 H new ATOM 0 HA2 GLY A 131 -0.017 -20.316 -12.131 1.00 2.02 H new ATOM 0 HA3 GLY A 131 0.557 -19.998 -10.506 1.00 2.02 H new ATOM 1946 N GLN A 132 -1.528 -18.387 -9.871 1.00 1.53 N ATOM 1947 CA GLN A 132 -2.811 -18.047 -9.277 1.00 1.64 C ATOM 1948 C GLN A 132 -3.445 -16.903 -10.061 1.00 1.53 C ATOM 1949 O GLN A 132 -2.742 -16.108 -10.693 1.00 2.26 O ATOM 1950 CB GLN A 132 -2.580 -17.596 -7.835 1.00 1.77 C ATOM 1951 CG GLN A 132 -2.036 -18.728 -6.959 1.00 2.38 C ATOM 1952 CD GLN A 132 -1.018 -18.187 -5.972 1.00 2.03 C ATOM 1953 OE1 GLN A 132 -1.360 -17.824 -4.852 1.00 2.57 O ATOM 1954 NE2 GLN A 132 0.238 -18.095 -6.384 1.00 2.24 N ATOM 0 H GLN A 132 -0.733 -17.943 -9.411 1.00 1.53 H new ATOM 0 HA GLN A 132 -3.471 -18.914 -9.299 1.00 1.64 H new ATOM 0 HB2 GLN A 132 -1.879 -16.761 -7.824 1.00 1.77 H new ATOM 0 HB3 GLN A 132 -3.517 -17.231 -7.415 1.00 1.77 H new ATOM 0 HG2 GLN A 132 -2.855 -19.207 -6.422 1.00 2.38 H new ATOM 0 HG3 GLN A 132 -1.575 -19.492 -7.585 1.00 2.38 H new ATOM 0 HE21 GLN A 132 0.491 -18.406 -7.322 1.00 2.24 H new ATOM 0 HE22 GLN A 132 0.952 -17.714 -5.763 1.00 2.24 H new ATOM 1963 N ARG A 133 -4.774 -16.821 -10.034 1.00 1.66 N ATOM 1964 CA ARG A 133 -5.484 -15.637 -10.487 1.00 1.52 C ATOM 1965 C ARG A 133 -5.542 -14.620 -9.342 1.00 1.10 C ATOM 1966 O ARG A 133 -5.515 -15.015 -8.176 1.00 1.16 O ATOM 1967 CB ARG A 133 -6.897 -16.002 -10.951 1.00 2.11 C ATOM 1968 CG ARG A 133 -6.885 -16.786 -12.270 1.00 2.48 C ATOM 1969 CD ARG A 133 -7.947 -16.211 -13.208 1.00 3.73 C ATOM 1970 NE ARG A 133 -7.881 -16.803 -14.552 1.00 4.60 N ATOM 1971 CZ ARG A 133 -8.383 -16.214 -15.648 1.00 5.72 C ATOM 1972 NH1 ARG A 133 -8.997 -15.039 -15.552 1.00 6.32 N ATOM 1973 NH2 ARG A 133 -8.268 -16.772 -16.846 1.00 6.78 N ATOM 0 H ARG A 133 -5.381 -17.570 -9.699 1.00 1.66 H new ATOM 0 HA ARG A 133 -4.955 -15.200 -11.334 1.00 1.52 H new ATOM 0 HB2 ARG A 133 -7.389 -16.596 -10.181 1.00 2.11 H new ATOM 0 HB3 ARG A 133 -7.484 -15.092 -11.076 1.00 2.11 H new ATOM 0 HG2 ARG A 133 -5.901 -16.724 -12.734 1.00 2.48 H new ATOM 0 HG3 ARG A 133 -7.083 -17.841 -12.081 1.00 2.48 H new ATOM 0 HD2 ARG A 133 -8.936 -16.385 -12.784 1.00 3.73 H new ATOM 0 HD3 ARG A 133 -7.818 -15.131 -13.282 1.00 3.73 H new ATOM 0 HE ARG A 133 -7.429 -17.711 -14.657 1.00 4.60 H new ATOM 0 HH11 ARG A 133 -9.087 -14.583 -14.644 1.00 6.32 H new ATOM 0 HH12 ARG A 133 -9.378 -14.593 -16.386 1.00 6.32 H new ATOM 0 HH21 ARG A 133 -7.790 -17.667 -16.948 1.00 6.78 H new ATOM 0 HH22 ARG A 133 -8.658 -16.306 -17.665 1.00 6.78 H new ATOM 1987 N PRO A 134 -5.611 -13.319 -9.662 1.00 0.87 N ATOM 1988 CA PRO A 134 -5.711 -12.262 -8.671 1.00 0.62 C ATOM 1989 C PRO A 134 -7.084 -12.195 -8.008 1.00 0.60 C ATOM 1990 O PRO A 134 -7.193 -11.655 -6.911 1.00 0.75 O ATOM 1991 CB PRO A 134 -5.404 -10.965 -9.424 1.00 0.80 C ATOM 1992 CG PRO A 134 -5.840 -11.278 -10.857 1.00 1.02 C ATOM 1993 CD PRO A 134 -5.519 -12.762 -11.003 1.00 1.09 C ATOM 0 HA PRO A 134 -5.014 -12.443 -7.853 1.00 0.62 H new ATOM 0 HB2 PRO A 134 -5.955 -10.120 -9.011 1.00 0.80 H new ATOM 0 HB3 PRO A 134 -4.345 -10.711 -9.372 1.00 0.80 H new ATOM 0 HG2 PRO A 134 -6.901 -11.079 -11.008 1.00 1.02 H new ATOM 0 HG3 PRO A 134 -5.296 -10.675 -11.584 1.00 1.02 H new ATOM 0 HD2 PRO A 134 -6.222 -13.250 -11.679 1.00 1.09 H new ATOM 0 HD3 PRO A 134 -4.522 -12.908 -11.420 1.00 1.09 H new ATOM 2001 N TYR A 135 -8.124 -12.687 -8.673 1.00 0.65 N ATOM 2002 CA TYR A 135 -9.488 -12.722 -8.185 1.00 0.67 C ATOM 2003 C TYR A 135 -10.178 -13.868 -8.915 1.00 0.84 C ATOM 2004 O TYR A 135 -9.418 -14.662 -9.520 1.00 1.58 O ATOM 2005 CB TYR A 135 -10.180 -11.373 -8.425 1.00 0.64 C ATOM 2006 CG TYR A 135 -10.035 -10.754 -9.809 1.00 0.79 C ATOM 2007 CD1 TYR A 135 -10.980 -11.017 -10.819 1.00 1.56 C ATOM 2008 CD2 TYR A 135 -9.093 -9.729 -10.001 1.00 2.29 C ATOM 2009 CE1 TYR A 135 -11.058 -10.169 -11.940 1.00 1.57 C ATOM 2010 CE2 TYR A 135 -9.193 -8.862 -11.099 1.00 2.49 C ATOM 2011 CZ TYR A 135 -10.212 -9.052 -12.041 1.00 1.28 C ATOM 2012 OH TYR A 135 -10.423 -8.101 -12.991 1.00 1.71 O ATOM 2013 OXT TYR A 135 -11.340 -14.170 -8.576 1.00 1.85 O ATOM 0 H TYR A 135 -8.030 -13.088 -9.606 1.00 0.65 H new ATOM 0 HA TYR A 135 -9.530 -12.889 -7.109 1.00 0.67 H new ATOM 0 HB2 TYR A 135 -11.243 -11.497 -8.220 1.00 0.64 H new ATOM 0 HB3 TYR A 135 -9.796 -10.661 -7.694 1.00 0.64 H new ATOM 0 HD1 TYR A 135 -11.642 -11.866 -10.734 1.00 1.56 H new ATOM 0 HD2 TYR A 135 -8.284 -9.608 -9.296 1.00 2.29 H new ATOM 0 HE1 TYR A 135 -11.770 -10.378 -12.725 1.00 1.57 H new ATOM 0 HE2 TYR A 135 -8.488 -8.052 -11.217 1.00 2.49 H new ATOM 0 HH TYR A 135 -10.866 -8.505 -13.766 1.00 1.71 H new