USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 THR OG1 : rot -93:sc= 0.788 USER MOD Set 1.2: A 128 ASN : amide:sc= 0.585 K(o=1.4,f=-0.86!) USER MOD Set 2.1: A 17 GLN :FLIP amide:sc= 0.819 F(o=1.3,f=2.7) USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 94 TYR OH : rot 116:sc= 1.88 USER MOD Set 3.1: A 11 HIS : no HE2:sc= 1.54 K(o=4.5,f=-8.6!) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.392 K(o=4.5,f=2.6!) USER MOD Set 3.3: A 96 GLN : amide:sc= 1.34 K(o=4.5,f=1.1!) USER MOD Set 3.4: A 123 TYR OH : rot -135:sc= 2 USER MOD Single : A 1 GLN : amide:sc= -0.0528 K(o=-0.053,f=-2.6!) USER MOD Single : A 1 GLN N :NH3+ 171:sc=-0.00176 (180deg=-0.127) USER MOD Single : A 2 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.025) USER MOD Single : A 3 SER OG : rot 53:sc= 0.772 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0971 K(o=-0.097,f=-1.8) USER MOD Single : A 23 MET CE :methyl 171:sc= -0.0887 (180deg=-0.215) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.063) USER MOD Single : A 31 SER OG : rot -51:sc= 1.05 USER MOD Single : A 34 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.0083) USER MOD Single : A 36 TYR OH : rot -175:sc= 0.81 USER MOD Single : A 38 ASN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 45 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.2) USER MOD Single : A 48 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0.135 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.25) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 69 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.64) USER MOD Single : A 73 SER OG : rot -84:sc= 0.917 USER MOD Single : A 77 SER OG : rot 160:sc= 0.239 USER MOD Single : A 79 ASN : amide:sc= 0.0653 K(o=0.065,f=-2.9!) USER MOD Single : A 80 TYR OH : rot 19:sc= 1.33 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.145 K(o=0.14,f=-5.4!) USER MOD Single : A 84 GLN : amide:sc= 0.535 K(o=0.54,f=-5.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= -0.309 (180deg=-1.59!) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.598 F(o=-1.4,f=-0.6) USER MOD Single : A 101 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.26) USER MOD Single : A 102 SER OG : rot -52:sc= 0.917 USER MOD Single : A 113 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.1) USER MOD Single : A 114 ASN : amide:sc= -0.096 K(o=-0.096,f=-5.1!) USER MOD Single : A 120 SER OG : rot 170:sc=-0.00475 USER MOD Single : A 122 ASN : amide:sc=-0.00628 X(o=-0.0063,f=0) USER MOD Single : A 132 GLN : amide:sc= 0.255 K(o=0.25,f=-3.4!) USER MOD Single : A 135 TYR OH : rot -148:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.500 10.300 6.375 1.00 1.83 N ATOM 2 CA GLN A 1 -5.677 9.370 5.251 1.00 1.05 C ATOM 3 C GLN A 1 -4.366 8.617 4.959 1.00 0.97 C ATOM 4 O GLN A 1 -3.978 8.411 3.802 1.00 1.14 O ATOM 5 CB GLN A 1 -6.321 10.077 4.041 1.00 0.99 C ATOM 6 CG GLN A 1 -7.855 10.016 4.155 1.00 2.10 C ATOM 7 CD GLN A 1 -8.575 10.755 3.031 1.00 2.91 C ATOM 8 OE1 GLN A 1 -8.759 10.215 1.943 1.00 4.07 O ATOM 9 NE2 GLN A 1 -9.028 11.972 3.280 1.00 3.38 N ATOM 0 H1 GLN A 1 -6.341 10.906 6.460 1.00 1.83 H new ATOM 0 H2 GLN A 1 -5.371 9.761 7.255 1.00 1.83 H new ATOM 0 H3 GLN A 1 -4.662 10.893 6.206 1.00 1.83 H new ATOM 0 HA GLN A 1 -6.392 8.593 5.521 1.00 1.05 H new ATOM 0 HB2 GLN A 1 -5.992 11.115 3.998 1.00 0.99 H new ATOM 0 HB3 GLN A 1 -5.997 9.601 3.116 1.00 0.99 H new ATOM 0 HG2 GLN A 1 -8.171 8.973 4.155 1.00 2.10 H new ATOM 0 HG3 GLN A 1 -8.158 10.441 5.112 1.00 2.10 H new ATOM 0 HE21 GLN A 1 -8.864 12.401 4.191 1.00 3.38 H new ATOM 0 HE22 GLN A 1 -9.542 12.482 2.561 1.00 3.38 H new ATOM 20 N ASN A 2 -3.683 8.170 6.015 1.00 1.06 N ATOM 21 CA ASN A 2 -2.642 7.155 5.978 1.00 1.26 C ATOM 22 C ASN A 2 -2.573 6.522 7.371 1.00 1.12 C ATOM 23 O ASN A 2 -2.578 7.245 8.363 1.00 2.39 O ATOM 24 CB ASN A 2 -1.293 7.721 5.505 1.00 2.07 C ATOM 25 CG ASN A 2 -0.435 8.362 6.595 1.00 2.04 C ATOM 26 OD1 ASN A 2 0.720 7.991 6.767 1.00 3.25 O ATOM 27 ND2 ASN A 2 -0.913 9.399 7.274 1.00 2.01 N ATOM 0 H ASN A 2 -3.852 8.524 6.957 1.00 1.06 H new ATOM 0 HA ASN A 2 -2.885 6.389 5.242 1.00 1.26 H new ATOM 0 HB2 ASN A 2 -0.722 6.916 5.043 1.00 2.07 H new ATOM 0 HB3 ASN A 2 -1.481 8.464 4.730 1.00 2.07 H new ATOM 0 HD21 ASN A 2 -0.318 9.890 7.941 1.00 2.01 H new ATOM 0 HD22 ASN A 2 -1.875 9.705 7.128 1.00 2.01 H new ATOM 34 N SER A 3 -2.574 5.194 7.435 1.00 1.32 N ATOM 35 CA SER A 3 -2.706 4.338 8.614 1.00 1.08 C ATOM 36 C SER A 3 -2.966 2.934 8.060 1.00 0.99 C ATOM 37 O SER A 3 -3.385 2.826 6.905 1.00 1.14 O ATOM 38 CB SER A 3 -3.917 4.744 9.476 1.00 1.07 C ATOM 39 OG SER A 3 -3.639 5.742 10.446 1.00 1.97 O ATOM 0 H SER A 3 -2.473 4.637 6.586 1.00 1.32 H new ATOM 0 HA SER A 3 -1.816 4.408 9.239 1.00 1.08 H new ATOM 0 HB2 SER A 3 -4.710 5.103 8.820 1.00 1.07 H new ATOM 0 HB3 SER A 3 -4.300 3.858 9.983 1.00 1.07 H new ATOM 0 HG SER A 3 -3.210 6.509 10.013 1.00 1.97 H new ATOM 45 N PRO A 4 -2.827 1.881 8.876 1.00 0.92 N ATOM 46 CA PRO A 4 -3.168 0.521 8.493 1.00 0.97 C ATOM 47 C PRO A 4 -4.591 0.476 7.936 1.00 0.71 C ATOM 48 O PRO A 4 -4.800 0.192 6.758 1.00 0.62 O ATOM 49 CB PRO A 4 -2.973 -0.327 9.758 1.00 1.10 C ATOM 50 CG PRO A 4 -2.957 0.674 10.916 1.00 0.94 C ATOM 51 CD PRO A 4 -2.431 1.953 10.268 1.00 0.97 C ATOM 0 HA PRO A 4 -2.539 0.130 7.694 1.00 0.97 H new ATOM 0 HB2 PRO A 4 -3.780 -1.051 9.875 1.00 1.10 H new ATOM 0 HB3 PRO A 4 -2.042 -0.892 9.713 1.00 1.10 H new ATOM 0 HG2 PRO A 4 -3.952 0.817 11.338 1.00 0.94 H new ATOM 0 HG3 PRO A 4 -2.311 0.340 11.728 1.00 0.94 H new ATOM 0 HD2 PRO A 4 -2.851 2.836 10.749 1.00 0.97 H new ATOM 0 HD3 PRO A 4 -1.347 2.023 10.363 1.00 0.97 H new ATOM 59 N GLN A 5 -5.571 0.822 8.773 1.00 0.65 N ATOM 60 CA GLN A 5 -6.972 0.876 8.396 1.00 0.51 C ATOM 61 C GLN A 5 -7.239 1.750 7.163 1.00 0.42 C ATOM 62 O GLN A 5 -8.175 1.460 6.428 1.00 0.48 O ATOM 63 CB GLN A 5 -7.824 1.283 9.605 1.00 0.60 C ATOM 64 CG GLN A 5 -7.488 2.636 10.249 1.00 1.89 C ATOM 65 CD GLN A 5 -8.212 2.786 11.586 1.00 2.63 C ATOM 66 OE1 GLN A 5 -9.251 2.171 11.811 1.00 2.96 O ATOM 67 NE2 GLN A 5 -7.668 3.564 12.511 1.00 3.99 N ATOM 0 H GLN A 5 -5.403 1.076 9.747 1.00 0.65 H new ATOM 0 HA GLN A 5 -7.268 -0.127 8.089 1.00 0.51 H new ATOM 0 HB2 GLN A 5 -8.869 1.301 9.297 1.00 0.60 H new ATOM 0 HB3 GLN A 5 -7.730 0.509 10.366 1.00 0.60 H new ATOM 0 HG2 GLN A 5 -6.412 2.716 10.401 1.00 1.89 H new ATOM 0 HG3 GLN A 5 -7.777 3.446 9.579 1.00 1.89 H new ATOM 0 HE21 GLN A 5 -6.805 4.069 12.310 1.00 3.99 H new ATOM 0 HE22 GLN A 5 -8.113 3.658 13.424 1.00 3.99 H new ATOM 76 N ASP A 6 -6.447 2.798 6.905 1.00 0.47 N ATOM 77 CA ASP A 6 -6.666 3.626 5.720 1.00 0.55 C ATOM 78 C ASP A 6 -6.412 2.801 4.465 1.00 0.47 C ATOM 79 O ASP A 6 -7.255 2.758 3.569 1.00 0.57 O ATOM 80 CB ASP A 6 -5.799 4.898 5.708 1.00 0.79 C ATOM 81 CG ASP A 6 -6.466 6.074 6.376 1.00 0.96 C ATOM 82 OD1 ASP A 6 -7.640 6.346 6.063 1.00 1.75 O ATOM 83 OD2 ASP A 6 -5.804 6.770 7.170 1.00 2.01 O ATOM 0 H ASP A 6 -5.663 3.087 7.491 1.00 0.47 H new ATOM 0 HA ASP A 6 -7.704 3.958 5.745 1.00 0.55 H new ATOM 0 HB2 ASP A 6 -4.854 4.691 6.209 1.00 0.79 H new ATOM 0 HB3 ASP A 6 -5.562 5.160 4.677 1.00 0.79 H new ATOM 88 N TYR A 7 -5.247 2.153 4.382 1.00 0.40 N ATOM 89 CA TYR A 7 -4.979 1.280 3.248 1.00 0.39 C ATOM 90 C TYR A 7 -6.030 0.163 3.223 1.00 0.40 C ATOM 91 O TYR A 7 -6.695 -0.062 2.208 1.00 0.46 O ATOM 92 CB TYR A 7 -3.549 0.713 3.293 1.00 0.41 C ATOM 93 CG TYR A 7 -2.436 1.731 3.091 1.00 0.53 C ATOM 94 CD1 TYR A 7 -2.002 2.072 1.795 1.00 1.48 C ATOM 95 CD2 TYR A 7 -1.765 2.271 4.201 1.00 2.12 C ATOM 96 CE1 TYR A 7 -0.985 3.026 1.618 1.00 1.42 C ATOM 97 CE2 TYR A 7 -0.747 3.223 4.027 1.00 2.49 C ATOM 98 CZ TYR A 7 -0.358 3.600 2.734 1.00 1.37 C ATOM 99 OH TYR A 7 0.616 4.537 2.566 1.00 1.90 O ATOM 0 H TYR A 7 -4.496 2.216 5.069 1.00 0.40 H new ATOM 0 HA TYR A 7 -5.049 1.858 2.327 1.00 0.39 H new ATOM 0 HB2 TYR A 7 -3.400 0.224 4.256 1.00 0.41 H new ATOM 0 HB3 TYR A 7 -3.457 -0.057 2.527 1.00 0.41 H new ATOM 0 HD1 TYR A 7 -2.452 1.599 0.935 1.00 1.48 H new ATOM 0 HD2 TYR A 7 -2.034 1.951 5.197 1.00 2.12 H new ATOM 0 HE1 TYR A 7 -0.686 3.317 0.622 1.00 1.42 H new ATOM 0 HE2 TYR A 7 -0.265 3.664 4.887 1.00 2.49 H new ATOM 0 HH TYR A 7 0.942 4.830 3.442 1.00 1.90 H new ATOM 109 N LEU A 8 -6.169 -0.539 4.347 1.00 0.38 N ATOM 110 CA LEU A 8 -7.024 -1.709 4.485 1.00 0.36 C ATOM 111 C LEU A 8 -8.477 -1.424 4.085 1.00 0.39 C ATOM 112 O LEU A 8 -9.104 -2.272 3.455 1.00 0.46 O ATOM 113 CB LEU A 8 -6.912 -2.261 5.915 1.00 0.32 C ATOM 114 CG LEU A 8 -5.609 -3.046 6.173 1.00 0.35 C ATOM 115 CD1 LEU A 8 -5.479 -3.420 7.653 1.00 0.37 C ATOM 116 CD2 LEU A 8 -5.564 -4.370 5.409 1.00 0.58 C ATOM 0 H LEU A 8 -5.676 -0.300 5.207 1.00 0.38 H new ATOM 0 HA LEU A 8 -6.676 -2.472 3.789 1.00 0.36 H new ATOM 0 HB2 LEU A 8 -6.973 -1.433 6.621 1.00 0.32 H new ATOM 0 HB3 LEU A 8 -7.764 -2.912 6.112 1.00 0.32 H new ATOM 0 HG LEU A 8 -4.807 -2.386 5.844 1.00 0.35 H new ATOM 0 HD11 LEU A 8 -4.552 -3.973 7.809 1.00 0.37 H new ATOM 0 HD12 LEU A 8 -5.467 -2.513 8.258 1.00 0.37 H new ATOM 0 HD13 LEU A 8 -6.325 -4.041 7.947 1.00 0.37 H new ATOM 0 HD21 LEU A 8 -4.627 -4.883 5.625 1.00 0.58 H new ATOM 0 HD22 LEU A 8 -6.401 -4.997 5.718 1.00 0.58 H new ATOM 0 HD23 LEU A 8 -5.632 -4.175 4.339 1.00 0.58 H new ATOM 128 N ALA A 9 -9.022 -0.256 4.421 1.00 0.38 N ATOM 129 CA ALA A 9 -10.391 0.109 4.083 1.00 0.42 C ATOM 130 C ALA A 9 -10.602 0.071 2.570 1.00 0.44 C ATOM 131 O ALA A 9 -11.530 -0.570 2.075 1.00 0.52 O ATOM 132 CB ALA A 9 -10.707 1.502 4.638 1.00 0.46 C ATOM 0 H ALA A 9 -8.521 0.466 4.938 1.00 0.38 H new ATOM 0 HA ALA A 9 -11.070 -0.614 4.535 1.00 0.42 H new ATOM 0 HB1 ALA A 9 -11.732 1.771 4.383 1.00 0.46 H new ATOM 0 HB2 ALA A 9 -10.592 1.496 5.722 1.00 0.46 H new ATOM 0 HB3 ALA A 9 -10.022 2.230 4.204 1.00 0.46 H new ATOM 138 N VAL A 10 -9.744 0.769 1.825 1.00 0.41 N ATOM 139 CA VAL A 10 -9.883 0.869 0.377 1.00 0.44 C ATOM 140 C VAL A 10 -9.657 -0.510 -0.247 1.00 0.43 C ATOM 141 O VAL A 10 -10.354 -0.889 -1.187 1.00 0.44 O ATOM 142 CB VAL A 10 -8.927 1.932 -0.194 1.00 0.46 C ATOM 143 CG1 VAL A 10 -9.183 2.183 -1.688 1.00 0.55 C ATOM 144 CG2 VAL A 10 -9.107 3.272 0.517 1.00 0.51 C ATOM 0 H VAL A 10 -8.944 1.274 2.205 1.00 0.41 H new ATOM 0 HA VAL A 10 -10.892 1.195 0.126 1.00 0.44 H new ATOM 0 HB VAL A 10 -7.920 1.543 -0.043 1.00 0.46 H new ATOM 0 HG11 VAL A 10 -8.489 2.939 -2.054 1.00 0.55 H new ATOM 0 HG12 VAL A 10 -9.036 1.256 -2.243 1.00 0.55 H new ATOM 0 HG13 VAL A 10 -10.206 2.532 -1.828 1.00 0.55 H new ATOM 0 HG21 VAL A 10 -8.419 4.004 0.093 1.00 0.51 H new ATOM 0 HG22 VAL A 10 -10.132 3.619 0.386 1.00 0.51 H new ATOM 0 HG23 VAL A 10 -8.898 3.151 1.580 1.00 0.51 H new ATOM 154 N HIS A 11 -8.691 -1.269 0.280 1.00 0.42 N ATOM 155 CA HIS A 11 -8.493 -2.646 -0.147 1.00 0.45 C ATOM 156 C HIS A 11 -9.796 -3.427 0.003 1.00 0.49 C ATOM 157 O HIS A 11 -10.285 -3.983 -0.975 1.00 0.58 O ATOM 158 CB HIS A 11 -7.370 -3.314 0.651 1.00 0.51 C ATOM 159 CG HIS A 11 -5.995 -2.921 0.202 1.00 0.50 C ATOM 160 ND1 HIS A 11 -5.430 -1.678 0.338 1.00 0.49 N ATOM 161 CD2 HIS A 11 -5.088 -3.729 -0.427 1.00 0.56 C ATOM 162 CE1 HIS A 11 -4.207 -1.727 -0.205 1.00 0.55 C ATOM 163 NE2 HIS A 11 -3.961 -2.950 -0.699 1.00 0.60 N ATOM 0 H HIS A 11 -8.041 -0.950 0.998 1.00 0.42 H new ATOM 0 HA HIS A 11 -8.199 -2.644 -1.196 1.00 0.45 H new ATOM 0 HB2 HIS A 11 -7.485 -3.060 1.705 1.00 0.51 H new ATOM 0 HB3 HIS A 11 -7.473 -4.396 0.571 1.00 0.51 H new ATOM 0 HD1 HIS A 11 -5.863 -0.864 0.774 1.00 0.49 H new ATOM 0 HD2 HIS A 11 -5.219 -4.774 -0.668 1.00 0.56 H new ATOM 0 HE1 HIS A 11 -3.515 -0.898 -0.240 1.00 0.55 H new ATOM 171 N ASN A 12 -10.351 -3.481 1.216 1.00 0.48 N ATOM 172 CA ASN A 12 -11.551 -4.267 1.488 1.00 0.52 C ATOM 173 C ASN A 12 -12.697 -3.809 0.586 1.00 0.51 C ATOM 174 O ASN A 12 -13.432 -4.648 0.090 1.00 0.52 O ATOM 175 CB ASN A 12 -11.943 -4.270 2.980 1.00 0.65 C ATOM 176 CG ASN A 12 -11.043 -5.168 3.838 1.00 0.77 C ATOM 177 OD1 ASN A 12 -10.554 -6.210 3.405 1.00 1.28 O ATOM 178 ND2 ASN A 12 -10.716 -4.756 5.055 1.00 0.92 N ATOM 0 H ASN A 12 -9.984 -2.985 2.028 1.00 0.48 H new ATOM 0 HA ASN A 12 -11.325 -5.307 1.251 1.00 0.52 H new ATOM 0 HB2 ASN A 12 -11.899 -3.250 3.363 1.00 0.65 H new ATOM 0 HB3 ASN A 12 -12.976 -4.603 3.077 1.00 0.65 H new ATOM 0 HD21 ASN A 12 -10.066 -5.302 5.621 1.00 0.92 H new ATOM 0 HD22 ASN A 12 -11.115 -3.893 5.426 1.00 0.92 H new ATOM 185 N ASP A 13 -12.824 -2.509 0.306 1.00 0.52 N ATOM 186 CA ASP A 13 -13.745 -1.994 -0.714 1.00 0.53 C ATOM 187 C ASP A 13 -13.542 -2.637 -2.082 1.00 0.51 C ATOM 188 O ASP A 13 -14.436 -3.275 -2.631 1.00 0.55 O ATOM 189 CB ASP A 13 -13.597 -0.476 -0.840 1.00 0.55 C ATOM 190 CG ASP A 13 -14.921 0.241 -0.939 1.00 0.65 C ATOM 191 OD1 ASP A 13 -15.583 0.395 0.108 1.00 1.83 O ATOM 192 OD2 ASP A 13 -15.218 0.727 -2.052 1.00 1.51 O ATOM 0 H ASP A 13 -12.290 -1.781 0.781 1.00 0.52 H new ATOM 0 HA ASP A 13 -14.750 -2.251 -0.381 1.00 0.53 H new ATOM 0 HB2 ASP A 13 -13.049 -0.097 0.023 1.00 0.55 H new ATOM 0 HB3 ASP A 13 -13.000 -0.247 -1.722 1.00 0.55 H new ATOM 197 N ALA A 14 -12.365 -2.423 -2.668 1.00 0.51 N ATOM 198 CA ALA A 14 -12.071 -2.900 -4.010 1.00 0.56 C ATOM 199 C ALA A 14 -12.316 -4.405 -4.073 1.00 0.54 C ATOM 200 O ALA A 14 -12.939 -4.914 -4.995 1.00 0.63 O ATOM 201 CB ALA A 14 -10.626 -2.544 -4.374 1.00 0.61 C ATOM 0 H ALA A 14 -11.597 -1.918 -2.227 1.00 0.51 H new ATOM 0 HA ALA A 14 -12.726 -2.419 -4.737 1.00 0.56 H new ATOM 0 HB1 ALA A 14 -10.406 -2.901 -5.380 1.00 0.61 H new ATOM 0 HB2 ALA A 14 -10.497 -1.462 -4.337 1.00 0.61 H new ATOM 0 HB3 ALA A 14 -9.946 -3.015 -3.664 1.00 0.61 H new ATOM 207 N ARG A 15 -11.836 -5.112 -3.061 1.00 0.49 N ATOM 208 CA ARG A 15 -11.929 -6.552 -2.960 1.00 0.45 C ATOM 209 C ARG A 15 -13.380 -6.995 -2.829 1.00 0.42 C ATOM 210 O ARG A 15 -13.815 -7.873 -3.567 1.00 0.50 O ATOM 211 CB ARG A 15 -11.042 -6.997 -1.800 1.00 0.49 C ATOM 212 CG ARG A 15 -9.593 -6.776 -2.246 1.00 0.71 C ATOM 213 CD ARG A 15 -8.625 -6.749 -1.077 1.00 1.23 C ATOM 214 NE ARG A 15 -8.321 -8.101 -0.613 1.00 1.14 N ATOM 215 CZ ARG A 15 -8.292 -8.453 0.663 1.00 2.08 C ATOM 216 NH1 ARG A 15 -9.123 -7.831 1.497 1.00 3.25 N ATOM 217 NH2 ARG A 15 -7.400 -9.372 1.045 1.00 2.71 N ATOM 0 H ARG A 15 -11.359 -4.683 -2.268 1.00 0.49 H new ATOM 0 HA ARG A 15 -11.569 -7.035 -3.868 1.00 0.45 H new ATOM 0 HB2 ARG A 15 -11.263 -6.422 -0.901 1.00 0.49 H new ATOM 0 HB3 ARG A 15 -11.217 -8.045 -1.558 1.00 0.49 H new ATOM 0 HG2 ARG A 15 -9.303 -7.569 -2.936 1.00 0.71 H new ATOM 0 HG3 ARG A 15 -9.524 -5.836 -2.793 1.00 0.71 H new ATOM 0 HD2 ARG A 15 -7.704 -6.248 -1.375 1.00 1.23 H new ATOM 0 HD3 ARG A 15 -9.053 -6.169 -0.260 1.00 1.23 H new ATOM 0 HE ARG A 15 -8.119 -8.815 -1.313 1.00 1.14 H new ATOM 0 HH11 ARG A 15 -9.753 -7.110 1.146 1.00 3.25 H new ATOM 0 HH12 ARG A 15 -9.129 -8.075 2.487 1.00 3.25 H new ATOM 0 HH21 ARG A 15 -6.765 -9.782 0.360 1.00 2.71 H new ATOM 0 HH22 ARG A 15 -7.354 -9.663 2.021 1.00 2.71 H new ATOM 231 N ALA A 16 -14.145 -6.370 -1.939 1.00 0.41 N ATOM 232 CA ALA A 16 -15.584 -6.554 -1.822 1.00 0.49 C ATOM 233 C ALA A 16 -16.235 -6.486 -3.202 1.00 0.52 C ATOM 234 O ALA A 16 -17.082 -7.315 -3.549 1.00 0.62 O ATOM 235 CB ALA A 16 -16.161 -5.477 -0.895 1.00 0.56 C ATOM 0 H ALA A 16 -13.770 -5.705 -1.263 1.00 0.41 H new ATOM 0 HA ALA A 16 -15.793 -7.535 -1.396 1.00 0.49 H new ATOM 0 HB1 ALA A 16 -17.239 -5.613 -0.806 1.00 0.56 H new ATOM 0 HB2 ALA A 16 -15.702 -5.561 0.090 1.00 0.56 H new ATOM 0 HB3 ALA A 16 -15.953 -4.491 -1.309 1.00 0.56 H new ATOM 241 N GLN A 17 -15.812 -5.511 -4.002 1.00 0.49 N ATOM 242 CA GLN A 17 -16.367 -5.246 -5.314 1.00 0.54 C ATOM 243 C GLN A 17 -16.149 -6.390 -6.312 1.00 0.58 C ATOM 244 O GLN A 17 -16.960 -6.518 -7.227 1.00 0.85 O ATOM 245 CB GLN A 17 -15.934 -3.846 -5.776 1.00 0.70 C ATOM 246 CG GLN A 17 -15.010 -3.800 -6.994 1.00 2.24 C ATOM 247 CD GLN A 17 -14.257 -2.475 -7.083 1.00 2.66 C ATOM 248 OE1 GLN A 17 -14.777 -1.404 -6.487 1.00 3.79 O flip ATOM 249 NE2 GLN A 17 -13.164 -2.415 -7.636 1.00 2.64 N flip ATOM 0 H GLN A 17 -15.058 -4.873 -3.745 1.00 0.49 H new ATOM 0 HA GLN A 17 -17.455 -5.222 -5.252 1.00 0.54 H new ATOM 0 HB2 GLN A 17 -16.829 -3.266 -6.001 1.00 0.70 H new ATOM 0 HB3 GLN A 17 -15.433 -3.349 -4.945 1.00 0.70 H new ATOM 0 HG2 GLN A 17 -14.296 -4.621 -6.940 1.00 2.24 H new ATOM 0 HG3 GLN A 17 -15.596 -3.947 -7.901 1.00 2.24 H new ATOM 0 HE21 GLN A 17 -12.776 -3.242 -8.089 1.00 2.64 H new ATOM 0 HE22 GLN A 17 -12.643 -1.538 -7.643 1.00 2.64 H new ATOM 258 N VAL A 18 -15.106 -7.209 -6.128 1.00 0.48 N ATOM 259 CA VAL A 18 -14.864 -8.439 -6.891 1.00 0.57 C ATOM 260 C VAL A 18 -14.994 -9.690 -6.006 1.00 0.66 C ATOM 261 O VAL A 18 -14.522 -10.772 -6.358 1.00 0.95 O ATOM 262 CB VAL A 18 -13.496 -8.386 -7.592 1.00 0.62 C ATOM 263 CG1 VAL A 18 -13.532 -7.467 -8.813 1.00 0.71 C ATOM 264 CG2 VAL A 18 -12.381 -7.927 -6.655 1.00 0.60 C ATOM 0 H VAL A 18 -14.388 -7.029 -5.426 1.00 0.48 H new ATOM 0 HA VAL A 18 -15.633 -8.510 -7.660 1.00 0.57 H new ATOM 0 HB VAL A 18 -13.281 -9.406 -7.910 1.00 0.62 H new ATOM 0 HG11 VAL A 18 -12.550 -7.451 -9.286 1.00 0.71 H new ATOM 0 HG12 VAL A 18 -14.271 -7.836 -9.524 1.00 0.71 H new ATOM 0 HG13 VAL A 18 -13.800 -6.458 -8.501 1.00 0.71 H new ATOM 0 HG21 VAL A 18 -11.436 -7.906 -7.197 1.00 0.60 H new ATOM 0 HG22 VAL A 18 -12.607 -6.928 -6.282 1.00 0.60 H new ATOM 0 HG23 VAL A 18 -12.303 -8.619 -5.816 1.00 0.60 H new ATOM 274 N GLY A 19 -15.619 -9.557 -4.839 1.00 0.57 N ATOM 275 CA GLY A 19 -15.904 -10.654 -3.932 1.00 0.63 C ATOM 276 C GLY A 19 -14.659 -11.370 -3.405 1.00 0.59 C ATOM 277 O GLY A 19 -14.714 -12.557 -3.076 1.00 0.85 O ATOM 0 H GLY A 19 -15.948 -8.656 -4.493 1.00 0.57 H new ATOM 0 HA2 GLY A 19 -16.476 -10.272 -3.086 1.00 0.63 H new ATOM 0 HA3 GLY A 19 -16.537 -11.379 -4.444 1.00 0.63 H new ATOM 281 N VAL A 20 -13.537 -10.669 -3.277 1.00 0.54 N ATOM 282 CA VAL A 20 -12.314 -11.199 -2.690 1.00 0.55 C ATOM 283 C VAL A 20 -12.403 -11.050 -1.163 1.00 0.51 C ATOM 284 O VAL A 20 -12.912 -10.041 -0.669 1.00 0.53 O ATOM 285 CB VAL A 20 -11.105 -10.487 -3.321 1.00 0.58 C ATOM 286 CG1 VAL A 20 -9.814 -10.816 -2.570 1.00 0.80 C ATOM 287 CG2 VAL A 20 -10.939 -10.894 -4.792 1.00 0.64 C ATOM 0 H VAL A 20 -13.452 -9.700 -3.584 1.00 0.54 H new ATOM 0 HA VAL A 20 -12.185 -12.261 -2.897 1.00 0.55 H new ATOM 0 HB VAL A 20 -11.294 -9.415 -3.256 1.00 0.58 H new ATOM 0 HG11 VAL A 20 -8.978 -10.298 -3.040 1.00 0.80 H new ATOM 0 HG12 VAL A 20 -9.904 -10.493 -1.533 1.00 0.80 H new ATOM 0 HG13 VAL A 20 -9.639 -11.891 -2.602 1.00 0.80 H new ATOM 0 HG21 VAL A 20 -10.078 -10.378 -5.217 1.00 0.64 H new ATOM 0 HG22 VAL A 20 -10.785 -11.971 -4.856 1.00 0.64 H new ATOM 0 HG23 VAL A 20 -11.836 -10.622 -5.348 1.00 0.64 H new ATOM 297 N GLY A 21 -11.962 -12.071 -0.420 1.00 0.58 N ATOM 298 CA GLY A 21 -11.990 -12.092 1.042 1.00 0.66 C ATOM 299 C GLY A 21 -10.975 -11.120 1.652 1.00 0.63 C ATOM 300 O GLY A 21 -10.202 -10.518 0.908 1.00 0.65 O ATOM 0 H GLY A 21 -11.569 -12.920 -0.827 1.00 0.58 H new ATOM 0 HA2 GLY A 21 -12.991 -11.835 1.389 1.00 0.66 H new ATOM 0 HA3 GLY A 21 -11.780 -13.102 1.394 1.00 0.66 H new ATOM 304 N PRO A 22 -10.973 -10.942 2.982 1.00 0.80 N ATOM 305 CA PRO A 22 -10.300 -9.834 3.642 1.00 0.89 C ATOM 306 C PRO A 22 -8.784 -10.013 3.764 1.00 0.77 C ATOM 307 O PRO A 22 -8.200 -10.950 3.226 1.00 0.89 O ATOM 308 CB PRO A 22 -10.979 -9.698 5.009 1.00 1.20 C ATOM 309 CG PRO A 22 -11.413 -11.131 5.310 1.00 1.29 C ATOM 310 CD PRO A 22 -11.801 -11.668 3.930 1.00 1.04 C ATOM 0 HA PRO A 22 -10.397 -8.926 3.047 1.00 0.89 H new ATOM 0 HB2 PRO A 22 -10.294 -9.315 5.765 1.00 1.20 H new ATOM 0 HB3 PRO A 22 -11.829 -9.016 4.973 1.00 1.20 H new ATOM 0 HG2 PRO A 22 -10.606 -11.712 5.757 1.00 1.29 H new ATOM 0 HG3 PRO A 22 -12.252 -11.161 6.006 1.00 1.29 H new ATOM 0 HD2 PRO A 22 -11.624 -12.742 3.863 1.00 1.04 H new ATOM 0 HD3 PRO A 22 -12.860 -11.506 3.730 1.00 1.04 H new ATOM 318 N MET A 23 -8.112 -9.058 4.412 1.00 0.71 N ATOM 319 CA MET A 23 -6.730 -9.192 4.877 1.00 0.68 C ATOM 320 C MET A 23 -6.650 -8.517 6.240 1.00 0.67 C ATOM 321 O MET A 23 -7.611 -7.860 6.650 1.00 0.77 O ATOM 322 CB MET A 23 -5.709 -8.574 3.909 1.00 0.69 C ATOM 323 CG MET A 23 -6.124 -7.215 3.354 1.00 0.85 C ATOM 324 SD MET A 23 -4.882 -6.301 2.410 1.00 1.36 S ATOM 325 CE MET A 23 -4.147 -7.610 1.413 1.00 0.85 C ATOM 0 H MET A 23 -8.523 -8.151 4.632 1.00 0.71 H new ATOM 0 HA MET A 23 -6.474 -10.250 4.936 1.00 0.68 H new ATOM 0 HB2 MET A 23 -4.754 -8.469 4.423 1.00 0.69 H new ATOM 0 HB3 MET A 23 -5.550 -9.261 3.078 1.00 0.69 H new ATOM 0 HG2 MET A 23 -6.995 -7.361 2.715 1.00 0.85 H new ATOM 0 HG3 MET A 23 -6.442 -6.591 4.189 1.00 0.85 H new ATOM 0 HE1 MET A 23 -3.480 -7.171 0.671 1.00 0.85 H new ATOM 0 HE2 MET A 23 -3.581 -8.283 2.057 1.00 0.85 H new ATOM 0 HE3 MET A 23 -4.935 -8.169 0.908 1.00 0.85 H new ATOM 335 N SER A 24 -5.527 -8.652 6.935 1.00 0.66 N ATOM 336 CA SER A 24 -5.181 -7.786 8.050 1.00 0.58 C ATOM 337 C SER A 24 -3.806 -7.184 7.786 1.00 0.45 C ATOM 338 O SER A 24 -3.223 -7.395 6.721 1.00 0.55 O ATOM 339 CB SER A 24 -5.364 -8.516 9.394 1.00 0.95 C ATOM 340 OG SER A 24 -4.156 -8.943 9.988 1.00 1.04 O ATOM 0 H SER A 24 -4.829 -9.369 6.738 1.00 0.66 H new ATOM 0 HA SER A 24 -5.864 -6.941 8.135 1.00 0.58 H new ATOM 0 HB2 SER A 24 -5.883 -7.854 10.087 1.00 0.95 H new ATOM 0 HB3 SER A 24 -6.007 -9.383 9.240 1.00 0.95 H new ATOM 0 HG SER A 24 -4.350 -9.395 10.836 1.00 1.04 H new ATOM 346 N TRP A 25 -3.315 -6.397 8.735 1.00 0.40 N ATOM 347 CA TRP A 25 -2.000 -5.811 8.623 1.00 0.46 C ATOM 348 C TRP A 25 -0.955 -6.891 8.896 1.00 0.63 C ATOM 349 O TRP A 25 -1.269 -7.958 9.436 1.00 1.22 O ATOM 350 CB TRP A 25 -1.872 -4.665 9.633 1.00 0.59 C ATOM 351 CG TRP A 25 -0.934 -3.565 9.253 1.00 0.54 C ATOM 352 CD1 TRP A 25 0.083 -3.086 10.004 1.00 0.53 C ATOM 353 CD2 TRP A 25 -0.966 -2.746 8.050 1.00 0.48 C ATOM 354 NE1 TRP A 25 0.654 -2.003 9.366 1.00 0.49 N ATOM 355 CE2 TRP A 25 0.040 -1.744 8.159 1.00 0.44 C ATOM 356 CE3 TRP A 25 -1.773 -2.726 6.895 1.00 0.51 C ATOM 357 CZ2 TRP A 25 0.223 -0.762 7.176 1.00 0.45 C ATOM 358 CZ3 TRP A 25 -1.589 -1.758 5.899 1.00 0.51 C ATOM 359 CH2 TRP A 25 -0.602 -0.772 6.042 1.00 0.49 C ATOM 0 H TRP A 25 -3.815 -6.154 9.590 1.00 0.40 H new ATOM 0 HA TRP A 25 -1.843 -5.411 7.621 1.00 0.46 H new ATOM 0 HB2 TRP A 25 -2.861 -4.235 9.793 1.00 0.59 H new ATOM 0 HB3 TRP A 25 -1.547 -5.081 10.587 1.00 0.59 H new ATOM 0 HD1 TRP A 25 0.400 -3.488 10.955 1.00 0.53 H new ATOM 0 HE1 TRP A 25 1.433 -1.462 9.741 1.00 0.49 H new ATOM 0 HE3 TRP A 25 -2.547 -3.470 6.775 1.00 0.51 H new ATOM 0 HZ2 TRP A 25 0.988 -0.008 7.290 1.00 0.45 H new ATOM 0 HZ3 TRP A 25 -2.211 -1.771 5.016 1.00 0.51 H new ATOM 0 HH2 TRP A 25 -0.477 -0.019 5.278 1.00 0.49 H new ATOM 370 N ASP A 26 0.297 -6.587 8.577 1.00 0.50 N ATOM 371 CA ASP A 26 1.443 -7.269 9.142 1.00 0.50 C ATOM 372 C ASP A 26 2.503 -6.229 9.491 1.00 0.65 C ATOM 373 O ASP A 26 2.897 -5.408 8.657 1.00 1.21 O ATOM 374 CB ASP A 26 1.982 -8.323 8.181 1.00 0.58 C ATOM 375 CG ASP A 26 3.179 -9.007 8.801 1.00 1.92 C ATOM 376 OD1 ASP A 26 4.279 -8.427 8.753 1.00 2.96 O ATOM 377 OD2 ASP A 26 2.995 -10.106 9.364 1.00 3.08 O ATOM 0 H ASP A 26 0.542 -5.853 7.913 1.00 0.50 H new ATOM 0 HA ASP A 26 1.148 -7.797 10.049 1.00 0.50 H new ATOM 0 HB2 ASP A 26 1.207 -9.056 7.957 1.00 0.58 H new ATOM 0 HB3 ASP A 26 2.264 -7.858 7.236 1.00 0.58 H new ATOM 382 N ALA A 27 2.952 -6.258 10.742 1.00 0.69 N ATOM 383 CA ALA A 27 3.895 -5.293 11.270 1.00 0.76 C ATOM 384 C ALA A 27 5.228 -5.391 10.535 1.00 0.65 C ATOM 385 O ALA A 27 5.868 -4.365 10.295 1.00 0.61 O ATOM 386 CB ALA A 27 4.106 -5.567 12.760 1.00 1.05 C ATOM 0 H ALA A 27 2.664 -6.963 11.421 1.00 0.69 H new ATOM 0 HA ALA A 27 3.496 -4.288 11.129 1.00 0.76 H new ATOM 0 HB1 ALA A 27 4.815 -4.845 13.166 1.00 1.05 H new ATOM 0 HB2 ALA A 27 3.155 -5.476 13.285 1.00 1.05 H new ATOM 0 HB3 ALA A 27 4.499 -6.575 12.892 1.00 1.05 H new ATOM 392 N ASN A 28 5.647 -6.607 10.177 1.00 0.67 N ATOM 393 CA ASN A 28 6.920 -6.851 9.523 1.00 0.67 C ATOM 394 C ASN A 28 6.873 -6.234 8.148 1.00 0.52 C ATOM 395 O ASN A 28 7.752 -5.447 7.817 1.00 0.51 O ATOM 396 CB ASN A 28 7.258 -8.341 9.364 1.00 0.84 C ATOM 397 CG ASN A 28 6.967 -9.162 10.602 1.00 1.05 C ATOM 398 OD1 ASN A 28 7.773 -9.198 11.525 1.00 1.68 O ATOM 399 ND2 ASN A 28 5.825 -9.831 10.644 1.00 2.03 N ATOM 0 H ASN A 28 5.101 -7.454 10.338 1.00 0.67 H new ATOM 0 HA ASN A 28 7.691 -6.411 10.156 1.00 0.67 H new ATOM 0 HB2 ASN A 28 6.690 -8.747 8.527 1.00 0.84 H new ATOM 0 HB3 ASN A 28 8.314 -8.441 9.111 1.00 0.84 H new ATOM 0 HD21 ASN A 28 5.595 -10.397 11.461 1.00 2.03 H new ATOM 0 HD22 ASN A 28 5.175 -9.780 9.859 1.00 2.03 H new ATOM 406 N LEU A 29 5.859 -6.567 7.347 1.00 0.49 N ATOM 407 CA LEU A 29 5.707 -6.002 6.022 1.00 0.40 C ATOM 408 C LEU A 29 5.724 -4.481 6.112 1.00 0.35 C ATOM 409 O LEU A 29 6.428 -3.819 5.355 1.00 0.35 O ATOM 410 CB LEU A 29 4.397 -6.472 5.389 1.00 0.40 C ATOM 411 CG LEU A 29 4.316 -7.966 5.057 1.00 0.52 C ATOM 412 CD1 LEU A 29 3.069 -8.171 4.197 1.00 0.98 C ATOM 413 CD2 LEU A 29 5.525 -8.485 4.275 1.00 0.60 C ATOM 0 H LEU A 29 5.129 -7.232 7.604 1.00 0.49 H new ATOM 0 HA LEU A 29 6.534 -6.338 5.397 1.00 0.40 H new ATOM 0 HB2 LEU A 29 3.579 -6.224 6.065 1.00 0.40 H new ATOM 0 HB3 LEU A 29 4.235 -5.906 4.472 1.00 0.40 H new ATOM 0 HG LEU A 29 4.286 -8.516 5.997 1.00 0.52 H new ATOM 0 HD11 LEU A 29 2.975 -9.226 3.938 1.00 0.98 H new ATOM 0 HD12 LEU A 29 2.187 -7.854 4.753 1.00 0.98 H new ATOM 0 HD13 LEU A 29 3.155 -7.580 3.285 1.00 0.98 H new ATOM 0 HD21 LEU A 29 5.399 -9.549 4.075 1.00 0.60 H new ATOM 0 HD22 LEU A 29 5.607 -7.946 3.331 1.00 0.60 H new ATOM 0 HD23 LEU A 29 6.431 -8.330 4.861 1.00 0.60 H new ATOM 425 N ALA A 30 4.964 -3.925 7.054 1.00 0.36 N ATOM 426 CA ALA A 30 4.908 -2.488 7.237 1.00 0.36 C ATOM 427 C ALA A 30 6.294 -1.936 7.565 1.00 0.38 C ATOM 428 O ALA A 30 6.701 -0.921 7.004 1.00 0.40 O ATOM 429 CB ALA A 30 3.860 -2.148 8.294 1.00 0.42 C ATOM 0 H ALA A 30 4.380 -4.455 7.700 1.00 0.36 H new ATOM 0 HA ALA A 30 4.600 -2.005 6.310 1.00 0.36 H new ATOM 0 HB1 ALA A 30 3.819 -1.067 8.431 1.00 0.42 H new ATOM 0 HB2 ALA A 30 2.885 -2.510 7.969 1.00 0.42 H new ATOM 0 HB3 ALA A 30 4.128 -2.623 9.238 1.00 0.42 H new ATOM 435 N SER A 31 7.045 -2.612 8.436 1.00 0.47 N ATOM 436 CA SER A 31 8.373 -2.174 8.794 1.00 0.50 C ATOM 437 C SER A 31 9.276 -2.201 7.561 1.00 0.48 C ATOM 438 O SER A 31 10.002 -1.251 7.294 1.00 0.51 O ATOM 439 CB SER A 31 8.893 -3.012 9.969 1.00 0.59 C ATOM 440 OG SER A 31 9.549 -4.203 9.575 1.00 0.93 O ATOM 0 H SER A 31 6.744 -3.468 8.902 1.00 0.47 H new ATOM 0 HA SER A 31 8.361 -1.140 9.138 1.00 0.50 H new ATOM 0 HB2 SER A 31 9.582 -2.407 10.558 1.00 0.59 H new ATOM 0 HB3 SER A 31 8.056 -3.267 10.620 1.00 0.59 H new ATOM 0 HG SER A 31 8.978 -4.701 8.954 1.00 0.93 H new ATOM 446 N ARG A 32 9.199 -3.286 6.790 1.00 0.47 N ATOM 447 CA ARG A 32 9.951 -3.489 5.568 1.00 0.52 C ATOM 448 C ARG A 32 9.680 -2.326 4.625 1.00 0.46 C ATOM 449 O ARG A 32 10.606 -1.744 4.079 1.00 0.49 O ATOM 450 CB ARG A 32 9.504 -4.805 4.898 1.00 0.67 C ATOM 451 CG ARG A 32 10.662 -5.521 4.197 1.00 0.77 C ATOM 452 CD ARG A 32 11.183 -6.668 5.077 1.00 1.79 C ATOM 453 NE ARG A 32 12.634 -6.857 4.979 1.00 2.64 N ATOM 454 CZ ARG A 32 13.341 -7.196 3.896 1.00 3.02 C ATOM 455 NH1 ARG A 32 12.738 -7.271 2.712 1.00 3.73 N ATOM 456 NH2 ARG A 32 14.642 -7.436 4.024 1.00 3.81 N ATOM 0 H ARG A 32 8.587 -4.071 7.014 1.00 0.47 H new ATOM 0 HA ARG A 32 11.016 -3.545 5.795 1.00 0.52 H new ATOM 0 HB2 ARG A 32 9.073 -5.466 5.651 1.00 0.67 H new ATOM 0 HB3 ARG A 32 8.718 -4.593 4.173 1.00 0.67 H new ATOM 0 HG2 ARG A 32 10.329 -5.912 3.235 1.00 0.77 H new ATOM 0 HG3 ARG A 32 11.467 -4.815 3.993 1.00 0.77 H new ATOM 0 HD2 ARG A 32 10.918 -6.470 6.116 1.00 1.79 H new ATOM 0 HD3 ARG A 32 10.682 -7.593 4.791 1.00 1.79 H new ATOM 0 HE ARG A 32 13.166 -6.713 5.837 1.00 2.64 H new ATOM 0 HH11 ARG A 32 11.741 -7.070 2.634 1.00 3.73 H new ATOM 0 HH12 ARG A 32 13.273 -7.529 1.883 1.00 3.73 H new ATOM 0 HH21 ARG A 32 15.087 -7.360 4.939 1.00 3.81 H new ATOM 0 HH22 ARG A 32 15.195 -7.696 3.208 1.00 3.81 H new ATOM 470 N ALA A 33 8.404 -2.005 4.426 1.00 0.43 N ATOM 471 CA ALA A 33 7.976 -0.927 3.559 1.00 0.53 C ATOM 472 C ALA A 33 8.554 0.396 4.064 1.00 0.59 C ATOM 473 O ALA A 33 9.179 1.131 3.308 1.00 0.70 O ATOM 474 CB ALA A 33 6.447 -0.919 3.498 1.00 0.56 C ATOM 0 H ALA A 33 7.631 -2.499 4.873 1.00 0.43 H new ATOM 0 HA ALA A 33 8.348 -1.071 2.544 1.00 0.53 H new ATOM 0 HB1 ALA A 33 6.113 -0.111 2.847 1.00 0.56 H new ATOM 0 HB2 ALA A 33 6.094 -1.872 3.104 1.00 0.56 H new ATOM 0 HB3 ALA A 33 6.044 -0.769 4.499 1.00 0.56 H new ATOM 480 N GLN A 34 8.367 0.701 5.350 1.00 0.58 N ATOM 481 CA GLN A 34 8.861 1.922 5.974 1.00 0.71 C ATOM 482 C GLN A 34 10.366 2.059 5.730 1.00 0.64 C ATOM 483 O GLN A 34 10.834 3.113 5.301 1.00 0.71 O ATOM 484 CB GLN A 34 8.524 1.879 7.475 1.00 0.86 C ATOM 485 CG GLN A 34 9.049 3.059 8.305 1.00 1.35 C ATOM 486 CD GLN A 34 8.149 4.287 8.262 1.00 1.49 C ATOM 487 OE1 GLN A 34 7.507 4.624 9.249 1.00 2.82 O ATOM 488 NE2 GLN A 34 8.098 5.002 7.146 1.00 1.28 N ATOM 0 H GLN A 34 7.859 0.094 5.994 1.00 0.58 H new ATOM 0 HA GLN A 34 8.381 2.798 5.537 1.00 0.71 H new ATOM 0 HB2 GLN A 34 7.441 1.834 7.585 1.00 0.86 H new ATOM 0 HB3 GLN A 34 8.926 0.956 7.893 1.00 0.86 H new ATOM 0 HG2 GLN A 34 9.164 2.740 9.341 1.00 1.35 H new ATOM 0 HG3 GLN A 34 10.040 3.333 7.944 1.00 1.35 H new ATOM 0 HE21 GLN A 34 8.637 4.712 6.330 1.00 1.28 H new ATOM 0 HE22 GLN A 34 7.520 5.841 7.104 1.00 1.28 H new ATOM 497 N ASN A 35 11.111 0.998 6.024 1.00 0.59 N ATOM 498 CA ASN A 35 12.552 0.893 5.842 1.00 0.63 C ATOM 499 C ASN A 35 12.935 1.097 4.384 1.00 0.63 C ATOM 500 O ASN A 35 13.751 1.957 4.081 1.00 0.73 O ATOM 501 CB ASN A 35 13.049 -0.474 6.345 1.00 0.72 C ATOM 502 CG ASN A 35 13.581 -0.400 7.770 1.00 0.99 C ATOM 503 OD1 ASN A 35 12.873 -0.594 8.755 1.00 1.56 O ATOM 504 ND2 ASN A 35 14.869 -0.133 7.906 1.00 2.48 N ATOM 0 H ASN A 35 10.705 0.148 6.414 1.00 0.59 H new ATOM 0 HA ASN A 35 13.030 1.679 6.426 1.00 0.63 H new ATOM 0 HB2 ASN A 35 12.233 -1.195 6.300 1.00 0.72 H new ATOM 0 HB3 ASN A 35 13.834 -0.840 5.684 1.00 0.72 H new ATOM 0 HD21 ASN A 35 15.285 -0.086 8.836 1.00 2.48 H new ATOM 0 HD22 ASN A 35 15.447 0.026 7.081 1.00 2.48 H new ATOM 511 N TYR A 36 12.364 0.312 3.476 1.00 0.61 N ATOM 512 CA TYR A 36 12.673 0.346 2.055 1.00 0.67 C ATOM 513 C TYR A 36 12.428 1.751 1.511 1.00 0.63 C ATOM 514 O TYR A 36 13.300 2.342 0.877 1.00 0.71 O ATOM 515 CB TYR A 36 11.822 -0.707 1.327 1.00 0.72 C ATOM 516 CG TYR A 36 11.965 -0.789 -0.185 1.00 0.78 C ATOM 517 CD1 TYR A 36 13.213 -0.588 -0.807 1.00 2.11 C ATOM 518 CD2 TYR A 36 10.869 -1.219 -0.959 1.00 1.88 C ATOM 519 CE1 TYR A 36 13.366 -0.840 -2.180 1.00 2.18 C ATOM 520 CE2 TYR A 36 11.024 -1.470 -2.334 1.00 2.04 C ATOM 521 CZ TYR A 36 12.282 -1.313 -2.934 1.00 1.27 C ATOM 522 OH TYR A 36 12.475 -1.631 -4.244 1.00 1.63 O ATOM 0 H TYR A 36 11.656 -0.382 3.716 1.00 0.61 H new ATOM 0 HA TYR A 36 13.723 0.106 1.888 1.00 0.67 H new ATOM 0 HB2 TYR A 36 12.065 -1.685 1.743 1.00 0.72 H new ATOM 0 HB3 TYR A 36 10.774 -0.514 1.558 1.00 0.72 H new ATOM 0 HD1 TYR A 36 14.054 -0.239 -0.226 1.00 2.11 H new ATOM 0 HD2 TYR A 36 9.904 -1.357 -0.494 1.00 1.88 H new ATOM 0 HE1 TYR A 36 14.320 -0.669 -2.656 1.00 2.18 H new ATOM 0 HE2 TYR A 36 10.177 -1.783 -2.926 1.00 2.04 H new ATOM 0 HH TYR A 36 11.617 -1.869 -4.653 1.00 1.63 H new ATOM 532 N ALA A 37 11.242 2.290 1.786 1.00 0.57 N ATOM 533 CA ALA A 37 10.875 3.652 1.453 1.00 0.64 C ATOM 534 C ALA A 37 11.931 4.618 1.984 1.00 0.65 C ATOM 535 O ALA A 37 12.385 5.499 1.258 1.00 0.83 O ATOM 536 CB ALA A 37 9.489 3.960 2.032 1.00 0.68 C ATOM 0 H ALA A 37 10.498 1.775 2.257 1.00 0.57 H new ATOM 0 HA ALA A 37 10.828 3.772 0.371 1.00 0.64 H new ATOM 0 HB1 ALA A 37 9.210 4.984 1.783 1.00 0.68 H new ATOM 0 HB2 ALA A 37 8.757 3.272 1.610 1.00 0.68 H new ATOM 0 HB3 ALA A 37 9.513 3.844 3.116 1.00 0.68 H new ATOM 542 N ASN A 38 12.323 4.452 3.247 1.00 0.55 N ATOM 543 CA ASN A 38 13.327 5.292 3.886 1.00 0.58 C ATOM 544 C ASN A 38 14.652 5.240 3.138 1.00 0.63 C ATOM 545 O ASN A 38 15.150 6.283 2.724 1.00 0.73 O ATOM 546 CB ASN A 38 13.498 4.935 5.366 1.00 0.64 C ATOM 547 CG ASN A 38 12.738 5.926 6.231 1.00 0.83 C ATOM 548 OD1 ASN A 38 13.229 7.015 6.516 1.00 1.67 O ATOM 549 ND2 ASN A 38 11.517 5.583 6.619 1.00 1.28 N ATOM 0 H ASN A 38 11.948 3.725 3.857 1.00 0.55 H new ATOM 0 HA ASN A 38 12.970 6.321 3.842 1.00 0.58 H new ATOM 0 HB2 ASN A 38 13.132 3.925 5.549 1.00 0.64 H new ATOM 0 HB3 ASN A 38 14.555 4.944 5.631 1.00 0.64 H new ATOM 0 HD21 ASN A 38 10.956 6.232 7.171 1.00 1.28 H new ATOM 0 HD22 ASN A 38 11.139 4.670 6.365 1.00 1.28 H new ATOM 556 N SER A 39 15.214 4.046 2.928 1.00 0.66 N ATOM 557 CA SER A 39 16.397 3.856 2.101 1.00 0.81 C ATOM 558 C SER A 39 16.236 4.637 0.800 1.00 1.06 C ATOM 559 O SER A 39 17.094 5.422 0.403 1.00 1.48 O ATOM 560 CB SER A 39 16.578 2.368 1.772 1.00 1.13 C ATOM 561 OG SER A 39 16.462 1.545 2.919 1.00 1.54 O ATOM 0 H SER A 39 14.854 3.182 3.332 1.00 0.66 H new ATOM 0 HA SER A 39 17.271 4.213 2.646 1.00 0.81 H new ATOM 0 HB2 SER A 39 15.833 2.068 1.036 1.00 1.13 H new ATOM 0 HB3 SER A 39 17.556 2.216 1.316 1.00 1.13 H new ATOM 0 HG SER A 39 16.582 0.607 2.662 1.00 1.54 H new ATOM 567 N ARG A 40 15.097 4.424 0.145 1.00 1.03 N ATOM 568 CA ARG A 40 14.784 5.022 -1.131 1.00 1.40 C ATOM 569 C ARG A 40 14.280 6.457 -0.987 1.00 1.56 C ATOM 570 O ARG A 40 13.639 6.956 -1.905 1.00 2.08 O ATOM 571 CB ARG A 40 13.825 4.104 -1.912 1.00 1.53 C ATOM 572 CG ARG A 40 14.430 2.710 -2.171 1.00 1.58 C ATOM 573 CD ARG A 40 15.514 2.742 -3.260 1.00 1.81 C ATOM 574 NE ARG A 40 16.492 1.652 -3.119 1.00 2.82 N ATOM 575 CZ ARG A 40 17.618 1.648 -2.384 1.00 4.23 C ATOM 576 NH1 ARG A 40 18.010 2.713 -1.679 1.00 5.32 N ATOM 577 NH2 ARG A 40 18.338 0.531 -2.376 1.00 5.44 N ATOM 0 H ARG A 40 14.358 3.818 0.501 1.00 1.03 H new ATOM 0 HA ARG A 40 15.699 5.110 -1.717 1.00 1.40 H new ATOM 0 HB2 ARG A 40 12.895 3.996 -1.354 1.00 1.53 H new ATOM 0 HB3 ARG A 40 13.574 4.571 -2.864 1.00 1.53 H new ATOM 0 HG2 ARG A 40 14.858 2.324 -1.246 1.00 1.58 H new ATOM 0 HG3 ARG A 40 13.639 2.022 -2.468 1.00 1.58 H new ATOM 0 HD2 ARG A 40 15.041 2.676 -4.240 1.00 1.81 H new ATOM 0 HD3 ARG A 40 16.034 3.699 -3.221 1.00 1.81 H new ATOM 0 HE ARG A 40 16.292 0.798 -3.640 1.00 2.82 H new ATOM 0 HH11 ARG A 40 17.449 3.565 -1.687 1.00 5.32 H new ATOM 0 HH12 ARG A 40 18.870 2.674 -1.132 1.00 5.32 H new ATOM 0 HH21 ARG A 40 18.029 -0.279 -2.914 1.00 5.44 H new ATOM 0 HH22 ARG A 40 19.200 0.483 -1.832 1.00 5.44 H new ATOM 591 N ALA A 41 14.597 7.172 0.091 1.00 1.49 N ATOM 592 CA ALA A 41 14.459 8.622 0.120 1.00 1.46 C ATOM 593 C ALA A 41 15.585 9.258 -0.689 1.00 1.38 C ATOM 594 O ALA A 41 15.387 10.279 -1.349 1.00 2.05 O ATOM 595 CB ALA A 41 14.443 9.121 1.566 1.00 1.50 C ATOM 0 H ALA A 41 14.952 6.767 0.957 1.00 1.49 H new ATOM 0 HA ALA A 41 13.512 8.912 -0.335 1.00 1.46 H new ATOM 0 HB1 ALA A 41 14.339 10.206 1.575 1.00 1.50 H new ATOM 0 HB2 ALA A 41 13.604 8.672 2.097 1.00 1.50 H new ATOM 0 HB3 ALA A 41 15.375 8.841 2.058 1.00 1.50 H new ATOM 601 N GLY A 42 16.759 8.624 -0.664 1.00 1.45 N ATOM 602 CA GLY A 42 17.906 9.063 -1.435 1.00 1.53 C ATOM 603 C GLY A 42 17.721 8.821 -2.934 1.00 1.45 C ATOM 604 O GLY A 42 18.345 9.520 -3.734 1.00 1.70 O ATOM 0 H GLY A 42 16.934 7.790 -0.104 1.00 1.45 H new ATOM 0 HA2 GLY A 42 18.076 10.125 -1.258 1.00 1.53 H new ATOM 0 HA3 GLY A 42 18.796 8.537 -1.091 1.00 1.53 H new ATOM 608 N ASP A 43 16.907 7.834 -3.331 1.00 1.42 N ATOM 609 CA ASP A 43 16.834 7.343 -4.716 1.00 1.60 C ATOM 610 C ASP A 43 15.430 7.461 -5.298 1.00 1.39 C ATOM 611 O ASP A 43 15.250 7.793 -6.468 1.00 2.06 O ATOM 612 CB ASP A 43 17.267 5.871 -4.869 1.00 2.22 C ATOM 613 CG ASP A 43 18.235 5.345 -3.836 1.00 3.58 C ATOM 614 OD1 ASP A 43 17.824 5.209 -2.667 1.00 4.63 O ATOM 615 OD2 ASP A 43 19.354 4.974 -4.230 1.00 4.42 O ATOM 0 H ASP A 43 16.274 7.349 -2.695 1.00 1.42 H new ATOM 0 HA ASP A 43 17.530 7.983 -5.258 1.00 1.60 H new ATOM 0 HB2 ASP A 43 16.373 5.248 -4.848 1.00 2.22 H new ATOM 0 HB3 ASP A 43 17.718 5.748 -5.854 1.00 2.22 H new ATOM 620 N CYS A 44 14.435 7.058 -4.513 1.00 1.23 N ATOM 621 CA CYS A 44 13.037 6.963 -4.916 1.00 1.13 C ATOM 622 C CYS A 44 12.866 6.154 -6.203 1.00 1.15 C ATOM 623 O CYS A 44 12.046 6.483 -7.061 1.00 1.71 O ATOM 624 CB CYS A 44 12.381 8.356 -4.928 1.00 1.46 C ATOM 625 SG CYS A 44 11.412 8.625 -3.432 1.00 1.72 S ATOM 0 H CYS A 44 14.587 6.779 -3.544 1.00 1.23 H new ATOM 0 HA CYS A 44 12.488 6.388 -4.170 1.00 1.13 H new ATOM 0 HB2 CYS A 44 13.150 9.124 -5.010 1.00 1.46 H new ATOM 0 HB3 CYS A 44 11.739 8.452 -5.804 1.00 1.46 H new ATOM 630 N ASN A 45 13.622 5.060 -6.334 1.00 1.81 N ATOM 631 CA ASN A 45 13.497 4.133 -7.457 1.00 2.38 C ATOM 632 C ASN A 45 12.288 3.234 -7.220 1.00 2.31 C ATOM 633 O ASN A 45 12.163 2.650 -6.145 1.00 3.01 O ATOM 634 CB ASN A 45 14.741 3.247 -7.604 1.00 3.09 C ATOM 635 CG ASN A 45 15.946 3.963 -8.194 1.00 3.81 C ATOM 636 OD1 ASN A 45 15.831 4.623 -9.223 1.00 4.13 O ATOM 637 ND2 ASN A 45 17.110 3.798 -7.583 1.00 4.80 N ATOM 0 H ASN A 45 14.340 4.794 -5.660 1.00 1.81 H new ATOM 0 HA ASN A 45 13.383 4.719 -8.369 1.00 2.38 H new ATOM 0 HB2 ASN A 45 15.010 2.852 -6.625 1.00 3.09 H new ATOM 0 HB3 ASN A 45 14.494 2.394 -8.235 1.00 3.09 H new ATOM 0 HD21 ASN A 45 17.952 4.227 -7.966 1.00 4.80 H new ATOM 0 HD22 ASN A 45 17.164 3.242 -6.730 1.00 4.80 H new ATOM 644 N LEU A 46 11.404 3.087 -8.207 1.00 2.00 N ATOM 645 CA LEU A 46 10.192 2.283 -8.067 1.00 1.81 C ATOM 646 C LEU A 46 10.477 0.821 -8.424 1.00 2.00 C ATOM 647 O LEU A 46 9.866 0.275 -9.342 1.00 2.25 O ATOM 648 CB LEU A 46 9.082 2.851 -8.967 1.00 1.83 C ATOM 649 CG LEU A 46 8.596 4.249 -8.556 1.00 1.64 C ATOM 650 CD1 LEU A 46 7.793 4.828 -9.726 1.00 1.89 C ATOM 651 CD2 LEU A 46 7.698 4.190 -7.314 1.00 1.39 C ATOM 0 H LEU A 46 11.508 3.521 -9.124 1.00 2.00 H new ATOM 0 HA LEU A 46 9.859 2.323 -7.030 1.00 1.81 H new ATOM 0 HB2 LEU A 46 9.447 2.892 -9.993 1.00 1.83 H new ATOM 0 HB3 LEU A 46 8.234 2.166 -8.957 1.00 1.83 H new ATOM 0 HG LEU A 46 9.459 4.870 -8.315 1.00 1.64 H new ATOM 0 HD11 LEU A 46 7.434 5.823 -9.464 1.00 1.89 H new ATOM 0 HD12 LEU A 46 8.430 4.893 -10.608 1.00 1.89 H new ATOM 0 HD13 LEU A 46 6.943 4.180 -9.940 1.00 1.89 H new ATOM 0 HD21 LEU A 46 7.373 5.197 -7.052 1.00 1.39 H new ATOM 0 HD22 LEU A 46 6.826 3.570 -7.524 1.00 1.39 H new ATOM 0 HD23 LEU A 46 8.256 3.761 -6.482 1.00 1.39 H new ATOM 663 N ILE A 47 11.404 0.168 -7.728 1.00 2.05 N ATOM 664 CA ILE A 47 11.821 -1.178 -8.107 1.00 2.21 C ATOM 665 C ILE A 47 10.847 -2.197 -7.506 1.00 2.25 C ATOM 666 O ILE A 47 10.822 -2.385 -6.291 1.00 3.12 O ATOM 667 CB ILE A 47 13.277 -1.453 -7.687 1.00 2.58 C ATOM 668 CG1 ILE A 47 14.160 -0.218 -7.919 1.00 2.85 C ATOM 669 CG2 ILE A 47 13.804 -2.657 -8.477 1.00 2.52 C ATOM 670 CD1 ILE A 47 15.654 -0.496 -7.765 1.00 3.83 C ATOM 0 H ILE A 47 11.877 0.545 -6.906 1.00 2.05 H new ATOM 0 HA ILE A 47 11.793 -1.271 -9.193 1.00 2.21 H new ATOM 0 HB ILE A 47 13.307 -1.677 -6.621 1.00 2.58 H new ATOM 0 HG12 ILE A 47 13.972 0.169 -8.920 1.00 2.85 H new ATOM 0 HG13 ILE A 47 13.870 0.563 -7.216 1.00 2.85 H new ATOM 0 HG21 ILE A 47 14.835 -2.860 -8.187 1.00 2.52 H new ATOM 0 HG22 ILE A 47 13.188 -3.530 -8.263 1.00 2.52 H new ATOM 0 HG23 ILE A 47 13.764 -2.438 -9.544 1.00 2.52 H new ATOM 0 HD11 ILE A 47 16.215 0.421 -7.943 1.00 3.83 H new ATOM 0 HD12 ILE A 47 15.855 -0.854 -6.755 1.00 3.83 H new ATOM 0 HD13 ILE A 47 15.959 -1.254 -8.486 1.00 3.83 H new ATOM 682 N HIS A 48 10.047 -2.869 -8.338 1.00 2.14 N ATOM 683 CA HIS A 48 9.185 -3.971 -7.912 1.00 2.52 C ATOM 684 C HIS A 48 9.956 -5.269 -8.104 1.00 2.68 C ATOM 685 O HIS A 48 9.477 -6.211 -8.733 1.00 3.94 O ATOM 686 CB HIS A 48 7.904 -3.940 -8.747 1.00 3.33 C ATOM 687 CG HIS A 48 6.884 -5.032 -8.536 1.00 4.61 C ATOM 688 ND1 HIS A 48 6.211 -5.703 -9.544 1.00 5.69 N ATOM 689 CD2 HIS A 48 6.279 -5.343 -7.354 1.00 5.58 C ATOM 690 CE1 HIS A 48 5.213 -6.404 -8.981 1.00 6.90 C ATOM 691 NE2 HIS A 48 5.243 -6.203 -7.653 1.00 6.95 N ATOM 0 H HIS A 48 9.980 -2.661 -9.334 1.00 2.14 H new ATOM 0 HA HIS A 48 8.903 -3.885 -6.863 1.00 2.52 H new ATOM 0 HB2 HIS A 48 7.411 -2.985 -8.564 1.00 3.33 H new ATOM 0 HB3 HIS A 48 8.192 -3.953 -9.798 1.00 3.33 H new ATOM 0 HD2 HIS A 48 6.557 -4.985 -6.374 1.00 5.58 H new ATOM 0 HE1 HIS A 48 4.504 -7.026 -9.508 1.00 6.90 H new ATOM 0 HE2 HIS A 48 4.604 -6.619 -6.976 1.00 6.95 H new ATOM 700 N SER A 49 11.170 -5.311 -7.573 1.00 2.31 N ATOM 701 CA SER A 49 12.024 -6.480 -7.599 1.00 3.04 C ATOM 702 C SER A 49 11.465 -7.592 -6.708 1.00 2.98 C ATOM 703 O SER A 49 11.969 -8.712 -6.750 1.00 4.16 O ATOM 704 CB SER A 49 13.414 -6.036 -7.133 1.00 4.47 C ATOM 705 OG SER A 49 13.288 -5.016 -6.151 1.00 4.81 O ATOM 0 H SER A 49 11.594 -4.512 -7.102 1.00 2.31 H new ATOM 0 HA SER A 49 12.077 -6.893 -8.606 1.00 3.04 H new ATOM 0 HB2 SER A 49 13.958 -6.886 -6.721 1.00 4.47 H new ATOM 0 HB3 SER A 49 13.992 -5.668 -7.981 1.00 4.47 H new ATOM 0 HG SER A 49 14.179 -4.736 -5.854 1.00 4.81 H new ATOM 711 N GLY A 50 10.461 -7.300 -5.878 1.00 2.47 N ATOM 712 CA GLY A 50 9.971 -8.283 -4.922 1.00 3.50 C ATOM 713 C GLY A 50 8.917 -9.183 -5.556 1.00 2.78 C ATOM 714 O GLY A 50 8.796 -10.352 -5.198 1.00 4.07 O ATOM 0 H GLY A 50 9.980 -6.401 -5.851 1.00 2.47 H new ATOM 0 HA2 GLY A 50 10.802 -8.889 -4.560 1.00 3.50 H new ATOM 0 HA3 GLY A 50 9.547 -7.774 -4.057 1.00 3.50 H new ATOM 718 N ALA A 51 8.133 -8.636 -6.488 1.00 1.73 N ATOM 719 CA ALA A 51 6.909 -9.249 -6.994 1.00 1.31 C ATOM 720 C ALA A 51 5.863 -9.385 -5.886 1.00 1.03 C ATOM 721 O ALA A 51 4.861 -10.075 -6.048 1.00 2.40 O ATOM 722 CB ALA A 51 7.168 -10.585 -7.705 1.00 1.85 C ATOM 0 H ALA A 51 8.339 -7.735 -6.919 1.00 1.73 H new ATOM 0 HA ALA A 51 6.506 -8.577 -7.752 1.00 1.31 H new ATOM 0 HB1 ALA A 51 6.224 -10.997 -8.061 1.00 1.85 H new ATOM 0 HB2 ALA A 51 7.836 -10.423 -8.551 1.00 1.85 H new ATOM 0 HB3 ALA A 51 7.629 -11.285 -7.008 1.00 1.85 H new ATOM 728 N GLY A 52 6.042 -8.678 -4.777 1.00 1.28 N ATOM 729 CA GLY A 52 5.066 -8.641 -3.706 1.00 0.92 C ATOM 730 C GLY A 52 4.275 -7.352 -3.834 1.00 0.67 C ATOM 731 O GLY A 52 3.047 -7.345 -3.802 1.00 1.92 O ATOM 0 H GLY A 52 6.873 -8.114 -4.599 1.00 1.28 H new ATOM 0 HA2 GLY A 52 4.402 -9.503 -3.766 1.00 0.92 H new ATOM 0 HA3 GLY A 52 5.562 -8.688 -2.737 1.00 0.92 H new ATOM 735 N GLU A 53 5.004 -6.274 -4.079 1.00 0.68 N ATOM 736 CA GLU A 53 4.600 -4.918 -3.816 1.00 0.58 C ATOM 737 C GLU A 53 3.811 -4.220 -4.920 1.00 0.65 C ATOM 738 O GLU A 53 3.664 -4.696 -6.047 1.00 0.94 O ATOM 739 CB GLU A 53 5.882 -4.099 -3.553 1.00 0.80 C ATOM 740 CG GLU A 53 7.054 -4.873 -2.922 1.00 1.32 C ATOM 741 CD GLU A 53 8.047 -5.429 -3.936 1.00 2.59 C ATOM 742 OE1 GLU A 53 7.636 -6.266 -4.773 1.00 3.92 O ATOM 743 OE2 GLU A 53 9.218 -5.002 -3.866 1.00 3.18 O ATOM 0 H GLU A 53 5.937 -6.333 -4.486 1.00 0.68 H new ATOM 0 HA GLU A 53 3.916 -4.971 -2.969 1.00 0.58 H new ATOM 0 HB2 GLU A 53 6.219 -3.674 -4.498 1.00 0.80 H new ATOM 0 HB3 GLU A 53 5.629 -3.264 -2.900 1.00 0.80 H new ATOM 0 HG2 GLU A 53 7.583 -4.213 -2.234 1.00 1.32 H new ATOM 0 HG3 GLU A 53 6.655 -5.697 -2.330 1.00 1.32 H new ATOM 750 N ASN A 54 3.423 -2.996 -4.589 1.00 0.52 N ATOM 751 CA ASN A 54 3.064 -1.924 -5.499 1.00 0.60 C ATOM 752 C ASN A 54 3.558 -0.664 -4.797 1.00 0.50 C ATOM 753 O ASN A 54 3.719 -0.662 -3.573 1.00 0.74 O ATOM 754 CB ASN A 54 1.576 -1.860 -5.842 1.00 0.94 C ATOM 755 CG ASN A 54 0.718 -1.483 -4.652 1.00 1.22 C ATOM 756 OD1 ASN A 54 0.804 -0.368 -4.165 1.00 2.60 O ATOM 757 ND2 ASN A 54 -0.132 -2.391 -4.210 1.00 1.58 N ATOM 0 H ASN A 54 3.347 -2.710 -3.613 1.00 0.52 H new ATOM 0 HA ASN A 54 3.520 -2.071 -6.478 1.00 0.60 H new ATOM 0 HB2 ASN A 54 1.422 -1.134 -6.640 1.00 0.94 H new ATOM 0 HB3 ASN A 54 1.254 -2.828 -6.225 1.00 0.94 H new ATOM 0 HD21 ASN A 54 -0.752 -2.172 -3.430 1.00 1.58 H new ATOM 0 HD22 ASN A 54 -0.169 -3.311 -4.648 1.00 1.58 H new ATOM 764 N LEU A 55 3.895 0.363 -5.570 1.00 0.40 N ATOM 765 CA LEU A 55 4.540 1.561 -5.067 1.00 0.42 C ATOM 766 C LEU A 55 3.870 2.760 -5.734 1.00 0.48 C ATOM 767 O LEU A 55 3.326 2.635 -6.836 1.00 0.70 O ATOM 768 CB LEU A 55 6.040 1.541 -5.406 1.00 0.69 C ATOM 769 CG LEU A 55 6.804 0.228 -5.125 1.00 0.81 C ATOM 770 CD1 LEU A 55 8.170 0.275 -5.814 1.00 1.04 C ATOM 771 CD2 LEU A 55 7.042 -0.011 -3.633 1.00 0.87 C ATOM 0 H LEU A 55 3.724 0.383 -6.575 1.00 0.40 H new ATOM 0 HA LEU A 55 4.441 1.619 -3.983 1.00 0.42 H new ATOM 0 HB2 LEU A 55 6.152 1.778 -6.464 1.00 0.69 H new ATOM 0 HB3 LEU A 55 6.525 2.341 -4.847 1.00 0.69 H new ATOM 0 HG LEU A 55 6.185 -0.583 -5.509 1.00 0.81 H new ATOM 0 HD11 LEU A 55 8.709 -0.651 -5.616 1.00 1.04 H new ATOM 0 HD12 LEU A 55 8.032 0.392 -6.889 1.00 1.04 H new ATOM 0 HD13 LEU A 55 8.743 1.118 -5.428 1.00 1.04 H new ATOM 0 HD21 LEU A 55 7.583 -0.948 -3.496 1.00 0.87 H new ATOM 0 HD22 LEU A 55 7.629 0.810 -3.222 1.00 0.87 H new ATOM 0 HD23 LEU A 55 6.084 -0.066 -3.116 1.00 0.87 H new ATOM 783 N ALA A 56 3.928 3.922 -5.097 1.00 0.43 N ATOM 784 CA ALA A 56 3.474 5.196 -5.625 1.00 0.47 C ATOM 785 C ALA A 56 4.569 6.204 -5.291 1.00 0.61 C ATOM 786 O ALA A 56 5.157 6.100 -4.216 1.00 0.72 O ATOM 787 CB ALA A 56 2.152 5.570 -4.943 1.00 0.50 C ATOM 0 H ALA A 56 4.311 4.003 -4.155 1.00 0.43 H new ATOM 0 HA ALA A 56 3.297 5.168 -6.700 1.00 0.47 H new ATOM 0 HB1 ALA A 56 1.800 6.526 -5.331 1.00 0.50 H new ATOM 0 HB2 ALA A 56 1.408 4.800 -5.145 1.00 0.50 H new ATOM 0 HB3 ALA A 56 2.308 5.650 -3.867 1.00 0.50 H new ATOM 793 N LYS A 57 4.866 7.162 -6.169 1.00 0.84 N ATOM 794 CA LYS A 57 5.614 8.336 -5.755 1.00 0.95 C ATOM 795 C LYS A 57 5.185 9.529 -6.592 1.00 1.71 C ATOM 796 O LYS A 57 4.778 9.341 -7.737 1.00 2.54 O ATOM 797 CB LYS A 57 7.135 8.122 -5.836 1.00 1.82 C ATOM 798 CG LYS A 57 7.677 8.153 -7.274 1.00 2.63 C ATOM 799 CD LYS A 57 9.208 8.081 -7.282 1.00 3.91 C ATOM 800 CE LYS A 57 9.726 8.086 -8.728 1.00 4.21 C ATOM 801 NZ LYS A 57 11.171 8.377 -8.811 1.00 5.61 N ATOM 0 H LYS A 57 4.603 7.145 -7.154 1.00 0.84 H new ATOM 0 HA LYS A 57 5.388 8.527 -4.706 1.00 0.95 H new ATOM 0 HB2 LYS A 57 7.635 8.893 -5.250 1.00 1.82 H new ATOM 0 HB3 LYS A 57 7.385 7.163 -5.381 1.00 1.82 H new ATOM 0 HG2 LYS A 57 7.266 7.317 -7.840 1.00 2.63 H new ATOM 0 HG3 LYS A 57 7.349 9.066 -7.771 1.00 2.63 H new ATOM 0 HD2 LYS A 57 9.623 8.928 -6.735 1.00 3.91 H new ATOM 0 HD3 LYS A 57 9.541 7.178 -6.771 1.00 3.91 H new ATOM 0 HE2 LYS A 57 9.527 7.117 -9.185 1.00 4.21 H new ATOM 0 HE3 LYS A 57 9.175 8.829 -9.305 1.00 4.21 H new ATOM 0 HZ1 LYS A 57 11.484 8.302 -9.800 1.00 5.61 H new ATOM 0 HZ2 LYS A 57 11.352 9.340 -8.463 1.00 5.61 H new ATOM 0 HZ3 LYS A 57 11.697 7.694 -8.229 1.00 5.61 H new ATOM 815 N GLY A 58 5.329 10.738 -6.058 1.00 1.69 N ATOM 816 CA GLY A 58 4.958 11.953 -6.761 1.00 2.52 C ATOM 817 C GLY A 58 4.542 13.037 -5.775 1.00 1.44 C ATOM 818 O GLY A 58 4.583 12.830 -4.555 1.00 1.56 O ATOM 0 H GLY A 58 5.707 10.899 -5.124 1.00 1.69 H new ATOM 0 HA2 GLY A 58 5.798 12.303 -7.362 1.00 2.52 H new ATOM 0 HA3 GLY A 58 4.138 11.746 -7.449 1.00 2.52 H new ATOM 822 N GLY A 59 4.073 14.155 -6.317 1.00 2.25 N ATOM 823 CA GLY A 59 3.354 15.181 -5.594 1.00 2.10 C ATOM 824 C GLY A 59 4.164 15.855 -4.504 1.00 1.87 C ATOM 825 O GLY A 59 5.311 16.229 -4.702 1.00 3.26 O ATOM 0 H GLY A 59 4.190 14.373 -7.306 1.00 2.25 H new ATOM 0 HA2 GLY A 59 3.015 15.938 -6.301 1.00 2.10 H new ATOM 0 HA3 GLY A 59 2.463 14.739 -5.149 1.00 2.10 H new ATOM 829 N GLY A 60 3.540 16.039 -3.350 1.00 1.49 N ATOM 830 CA GLY A 60 4.123 16.778 -2.250 1.00 2.42 C ATOM 831 C GLY A 60 3.331 16.596 -0.960 1.00 2.14 C ATOM 832 O GLY A 60 3.867 16.782 0.132 1.00 2.97 O ATOM 0 H GLY A 60 2.608 15.675 -3.153 1.00 1.49 H new ATOM 0 HA2 GLY A 60 5.150 16.448 -2.095 1.00 2.42 H new ATOM 0 HA3 GLY A 60 4.163 17.837 -2.505 1.00 2.42 H new ATOM 836 N ASP A 61 2.071 16.173 -1.064 1.00 2.06 N ATOM 837 CA ASP A 61 1.207 15.858 0.064 1.00 1.98 C ATOM 838 C ASP A 61 0.114 14.902 -0.410 1.00 1.60 C ATOM 839 O ASP A 61 -1.058 15.013 -0.056 1.00 1.82 O ATOM 840 CB ASP A 61 0.687 17.137 0.725 1.00 2.67 C ATOM 841 CG ASP A 61 0.374 18.227 -0.267 1.00 3.54 C ATOM 842 OD1 ASP A 61 -0.707 18.167 -0.885 1.00 3.67 O ATOM 843 OD2 ASP A 61 1.215 19.135 -0.430 1.00 4.75 O ATOM 0 H ASP A 61 1.613 16.037 -1.965 1.00 2.06 H new ATOM 0 HA ASP A 61 1.762 15.346 0.850 1.00 1.98 H new ATOM 0 HB2 ASP A 61 -0.212 16.905 1.297 1.00 2.67 H new ATOM 0 HB3 ASP A 61 1.430 17.501 1.434 1.00 2.67 H new ATOM 848 N PHE A 62 0.546 13.903 -1.177 1.00 1.32 N ATOM 849 CA PHE A 62 -0.278 12.786 -1.606 1.00 1.02 C ATOM 850 C PHE A 62 -0.479 11.830 -0.431 1.00 0.86 C ATOM 851 O PHE A 62 0.500 11.502 0.247 1.00 1.17 O ATOM 852 CB PHE A 62 0.433 12.082 -2.762 1.00 1.11 C ATOM 853 CG PHE A 62 -0.289 10.868 -3.296 1.00 1.02 C ATOM 854 CD1 PHE A 62 -1.500 11.020 -3.993 1.00 2.00 C ATOM 855 CD2 PHE A 62 0.306 9.600 -3.194 1.00 1.51 C ATOM 856 CE1 PHE A 62 -2.031 9.940 -4.715 1.00 2.10 C ATOM 857 CE2 PHE A 62 -0.245 8.512 -3.883 1.00 1.61 C ATOM 858 CZ PHE A 62 -1.388 8.694 -4.673 1.00 1.31 C ATOM 0 H PHE A 62 1.504 13.851 -1.524 1.00 1.32 H new ATOM 0 HA PHE A 62 -1.256 13.131 -1.941 1.00 1.02 H new ATOM 0 HB2 PHE A 62 0.570 12.795 -3.575 1.00 1.11 H new ATOM 0 HB3 PHE A 62 1.427 11.781 -2.431 1.00 1.11 H new ATOM 0 HD1 PHE A 62 -2.021 11.966 -3.973 1.00 2.00 H new ATOM 0 HD2 PHE A 62 1.187 9.464 -2.585 1.00 1.51 H new ATOM 0 HE1 PHE A 62 -2.930 10.068 -5.300 1.00 2.10 H new ATOM 0 HE2 PHE A 62 0.210 7.536 -3.806 1.00 1.61 H new ATOM 0 HZ PHE A 62 -1.776 7.870 -5.253 1.00 1.31 H new ATOM 868 N THR A 63 -1.714 11.411 -0.165 1.00 0.97 N ATOM 869 CA THR A 63 -2.112 10.535 0.933 1.00 0.80 C ATOM 870 C THR A 63 -1.925 9.051 0.567 1.00 0.88 C ATOM 871 O THR A 63 -1.786 8.688 -0.599 1.00 1.63 O ATOM 872 CB THR A 63 -3.580 10.844 1.259 1.00 0.75 C ATOM 873 OG1 THR A 63 -4.320 10.836 0.058 1.00 1.00 O ATOM 874 CG2 THR A 63 -3.724 12.224 1.903 1.00 0.90 C ATOM 0 H THR A 63 -2.508 11.689 -0.742 1.00 0.97 H new ATOM 0 HA THR A 63 -1.482 10.717 1.804 1.00 0.80 H new ATOM 0 HB THR A 63 -3.946 10.090 1.956 1.00 0.75 H new ATOM 0 HG1 THR A 63 -5.261 11.030 0.252 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.774 12.415 2.123 1.00 0.90 H new ATOM 0 HG22 THR A 63 -3.148 12.256 2.828 1.00 0.90 H new ATOM 0 HG23 THR A 63 -3.352 12.986 1.218 1.00 0.90 H new ATOM 882 N GLY A 64 -1.939 8.163 1.565 1.00 0.52 N ATOM 883 CA GLY A 64 -1.843 6.726 1.320 1.00 0.47 C ATOM 884 C GLY A 64 -3.196 6.170 0.871 1.00 0.39 C ATOM 885 O GLY A 64 -3.257 5.291 0.016 1.00 0.42 O ATOM 0 H GLY A 64 -2.016 8.417 2.550 1.00 0.52 H new ATOM 0 HA2 GLY A 64 -1.091 6.530 0.556 1.00 0.47 H new ATOM 0 HA3 GLY A 64 -1.516 6.217 2.227 1.00 0.47 H new ATOM 889 N ARG A 65 -4.290 6.709 1.414 1.00 0.39 N ATOM 890 CA ARG A 65 -5.640 6.419 0.936 1.00 0.42 C ATOM 891 C ARG A 65 -5.691 6.683 -0.578 1.00 0.40 C ATOM 892 O ARG A 65 -6.091 5.811 -1.351 1.00 0.42 O ATOM 893 CB ARG A 65 -6.626 7.296 1.722 1.00 0.52 C ATOM 894 CG ARG A 65 -8.099 6.856 1.690 1.00 0.90 C ATOM 895 CD ARG A 65 -8.494 6.012 2.914 1.00 1.91 C ATOM 896 NE ARG A 65 -9.716 6.497 3.587 1.00 2.53 N ATOM 897 CZ ARG A 65 -10.970 6.073 3.365 1.00 2.72 C ATOM 898 NH1 ARG A 65 -11.225 5.267 2.339 1.00 3.13 N ATOM 899 NH2 ARG A 65 -11.954 6.477 4.160 1.00 3.79 N ATOM 0 H ARG A 65 -4.263 7.360 2.199 1.00 0.39 H new ATOM 0 HA ARG A 65 -5.915 5.377 1.097 1.00 0.42 H new ATOM 0 HB2 ARG A 65 -6.301 7.330 2.762 1.00 0.52 H new ATOM 0 HB3 ARG A 65 -6.564 8.313 1.335 1.00 0.52 H new ATOM 0 HG2 ARG A 65 -8.737 7.739 1.642 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.282 6.280 0.783 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -8.645 4.979 2.601 1.00 1.91 H new ATOM 0 HD3 ARG A 65 -7.670 6.011 3.628 1.00 1.91 H new ATOM 0 HE ARG A 65 -9.595 7.226 4.290 1.00 2.53 H new ATOM 0 HH11 ARG A 65 -10.468 4.972 1.722 1.00 3.13 H new ATOM 0 HH12 ARG A 65 -12.177 4.944 2.169 1.00 3.13 H new ATOM 0 HH21 ARG A 65 -11.756 7.108 4.937 1.00 3.79 H new ATOM 0 HH22 ARG A 65 -12.908 6.157 3.994 1.00 3.79 H new ATOM 913 N ALA A 66 -5.227 7.864 -1.006 1.00 0.40 N ATOM 914 CA ALA A 66 -5.127 8.200 -2.421 1.00 0.45 C ATOM 915 C ALA A 66 -4.220 7.212 -3.153 1.00 0.44 C ATOM 916 O ALA A 66 -4.473 6.892 -4.306 1.00 0.47 O ATOM 917 CB ALA A 66 -4.625 9.624 -2.637 1.00 0.55 C ATOM 0 H ALA A 66 -4.913 8.606 -0.380 1.00 0.40 H new ATOM 0 HA ALA A 66 -6.134 8.133 -2.833 1.00 0.45 H new ATOM 0 HB1 ALA A 66 -4.566 9.831 -3.706 1.00 0.55 H new ATOM 0 HB2 ALA A 66 -5.313 10.327 -2.169 1.00 0.55 H new ATOM 0 HB3 ALA A 66 -3.636 9.733 -2.191 1.00 0.55 H new ATOM 923 N ALA A 67 -3.166 6.708 -2.511 1.00 0.47 N ATOM 924 CA ALA A 67 -2.332 5.680 -3.115 1.00 0.55 C ATOM 925 C ALA A 67 -3.165 4.452 -3.487 1.00 0.51 C ATOM 926 O ALA A 67 -3.166 4.045 -4.647 1.00 0.54 O ATOM 927 CB ALA A 67 -1.126 5.359 -2.235 1.00 0.63 C ATOM 0 H ALA A 67 -2.874 6.996 -1.577 1.00 0.47 H new ATOM 0 HA ALA A 67 -1.922 6.063 -4.050 1.00 0.55 H new ATOM 0 HB1 ALA A 67 -0.522 4.588 -2.713 1.00 0.63 H new ATOM 0 HB2 ALA A 67 -0.525 6.258 -2.099 1.00 0.63 H new ATOM 0 HB3 ALA A 67 -1.469 5.002 -1.264 1.00 0.63 H new ATOM 933 N VAL A 68 -3.927 3.885 -2.551 1.00 0.47 N ATOM 934 CA VAL A 68 -4.782 2.752 -2.906 1.00 0.47 C ATOM 935 C VAL A 68 -5.763 3.156 -4.006 1.00 0.41 C ATOM 936 O VAL A 68 -5.947 2.440 -4.988 1.00 0.43 O ATOM 937 CB VAL A 68 -5.498 2.135 -1.697 1.00 0.50 C ATOM 938 CG1 VAL A 68 -6.110 0.788 -2.123 1.00 0.54 C ATOM 939 CG2 VAL A 68 -4.525 1.863 -0.553 1.00 0.57 C ATOM 0 H VAL A 68 -3.971 4.178 -1.575 1.00 0.47 H new ATOM 0 HA VAL A 68 -4.134 1.964 -3.290 1.00 0.47 H new ATOM 0 HB VAL A 68 -6.260 2.837 -1.357 1.00 0.50 H new ATOM 0 HG11 VAL A 68 -6.623 0.337 -1.274 1.00 0.54 H new ATOM 0 HG12 VAL A 68 -6.822 0.951 -2.932 1.00 0.54 H new ATOM 0 HG13 VAL A 68 -5.319 0.121 -2.465 1.00 0.54 H new ATOM 0 HG21 VAL A 68 -5.064 1.426 0.287 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -3.753 1.170 -0.889 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -4.061 2.798 -0.240 1.00 0.57 H new ATOM 949 N GLN A 69 -6.376 4.326 -3.867 1.00 0.39 N ATOM 950 CA GLN A 69 -7.247 4.863 -4.896 1.00 0.41 C ATOM 951 C GLN A 69 -6.519 4.961 -6.247 1.00 0.46 C ATOM 952 O GLN A 69 -7.135 4.724 -7.283 1.00 0.51 O ATOM 953 CB GLN A 69 -7.794 6.208 -4.417 1.00 0.48 C ATOM 954 CG GLN A 69 -8.761 6.029 -3.230 1.00 0.58 C ATOM 955 CD GLN A 69 -10.224 6.226 -3.614 1.00 1.25 C ATOM 956 OE1 GLN A 69 -10.562 7.089 -4.420 1.00 2.58 O ATOM 957 NE2 GLN A 69 -11.134 5.452 -3.039 1.00 2.28 N ATOM 0 H GLN A 69 -6.282 4.922 -3.044 1.00 0.39 H new ATOM 0 HA GLN A 69 -8.087 4.190 -5.065 1.00 0.41 H new ATOM 0 HB2 GLN A 69 -6.968 6.854 -4.121 1.00 0.48 H new ATOM 0 HB3 GLN A 69 -8.310 6.706 -5.238 1.00 0.48 H new ATOM 0 HG2 GLN A 69 -8.633 5.030 -2.812 1.00 0.58 H new ATOM 0 HG3 GLN A 69 -8.499 6.739 -2.446 1.00 0.58 H new ATOM 0 HE21 GLN A 69 -10.847 4.737 -2.371 1.00 2.28 H new ATOM 0 HE22 GLN A 69 -12.121 5.571 -3.265 1.00 2.28 H new ATOM 966 N LEU A 70 -5.222 5.280 -6.281 1.00 0.51 N ATOM 967 CA LEU A 70 -4.477 5.378 -7.521 1.00 0.63 C ATOM 968 C LEU A 70 -4.336 3.962 -8.065 1.00 0.64 C ATOM 969 O LEU A 70 -4.470 3.726 -9.257 1.00 0.73 O ATOM 970 CB LEU A 70 -3.127 6.068 -7.271 1.00 0.73 C ATOM 971 CG LEU A 70 -2.114 5.943 -8.419 1.00 0.90 C ATOM 972 CD1 LEU A 70 -2.641 6.629 -9.683 1.00 1.62 C ATOM 973 CD2 LEU A 70 -0.795 6.600 -7.995 1.00 2.03 C ATOM 0 H LEU A 70 -4.668 5.476 -5.447 1.00 0.51 H new ATOM 0 HA LEU A 70 -4.989 5.992 -8.262 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -3.306 7.126 -7.078 1.00 0.73 H new ATOM 0 HB3 LEU A 70 -2.684 5.650 -6.367 1.00 0.73 H new ATOM 0 HG LEU A 70 -1.956 4.887 -8.638 1.00 0.90 H new ATOM 0 HD11 LEU A 70 -1.908 6.529 -10.484 1.00 1.62 H new ATOM 0 HD12 LEU A 70 -3.577 6.161 -9.987 1.00 1.62 H new ATOM 0 HD13 LEU A 70 -2.813 7.686 -9.479 1.00 1.62 H new ATOM 0 HD21 LEU A 70 -0.070 6.516 -8.804 1.00 2.03 H new ATOM 0 HD22 LEU A 70 -0.968 7.653 -7.771 1.00 2.03 H new ATOM 0 HD23 LEU A 70 -0.408 6.099 -7.108 1.00 2.03 H new ATOM 985 N TRP A 71 -4.101 2.982 -7.206 1.00 0.59 N ATOM 986 CA TRP A 71 -3.996 1.591 -7.626 1.00 0.62 C ATOM 987 C TRP A 71 -5.315 1.099 -8.220 1.00 0.56 C ATOM 988 O TRP A 71 -5.307 0.352 -9.197 1.00 0.76 O ATOM 989 CB TRP A 71 -3.452 0.769 -6.461 1.00 0.63 C ATOM 990 CG TRP A 71 -2.185 1.341 -5.897 1.00 0.59 C ATOM 991 CD1 TRP A 71 -1.371 2.213 -6.540 1.00 0.62 C ATOM 992 CD2 TRP A 71 -1.676 1.266 -4.532 1.00 0.59 C ATOM 993 NE1 TRP A 71 -0.495 2.771 -5.648 1.00 0.54 N ATOM 994 CE2 TRP A 71 -0.597 2.189 -4.407 1.00 0.53 C ATOM 995 CE3 TRP A 71 -2.033 0.543 -3.375 1.00 0.73 C ATOM 996 CZ2 TRP A 71 0.087 2.382 -3.204 1.00 0.59 C ATOM 997 CZ3 TRP A 71 -1.364 0.747 -2.157 1.00 0.88 C ATOM 998 CH2 TRP A 71 -0.328 1.691 -2.063 1.00 0.83 C ATOM 0 H TRP A 71 -3.978 3.126 -6.204 1.00 0.59 H new ATOM 0 HA TRP A 71 -3.283 1.475 -8.442 1.00 0.62 H new ATOM 0 HB2 TRP A 71 -4.205 0.717 -5.675 1.00 0.63 H new ATOM 0 HB3 TRP A 71 -3.269 -0.252 -6.795 1.00 0.63 H new ATOM 0 HD1 TRP A 71 -1.408 2.434 -7.596 1.00 0.62 H new ATOM 0 HE1 TRP A 71 0.153 3.525 -5.876 1.00 0.54 H new ATOM 0 HE3 TRP A 71 -2.834 -0.180 -3.426 1.00 0.73 H new ATOM 0 HZ2 TRP A 71 0.928 3.058 -3.157 1.00 0.59 H new ATOM 0 HZ3 TRP A 71 -1.648 0.174 -1.287 1.00 0.88 H new ATOM 0 HH2 TRP A 71 0.146 1.882 -1.112 1.00 0.83 H new ATOM 1009 N VAL A 72 -6.429 1.581 -7.674 1.00 0.40 N ATOM 1010 CA VAL A 72 -7.774 1.334 -8.174 1.00 0.44 C ATOM 1011 C VAL A 72 -8.134 2.285 -9.332 1.00 0.55 C ATOM 1012 O VAL A 72 -9.241 2.209 -9.866 1.00 0.70 O ATOM 1013 CB VAL A 72 -8.745 1.410 -6.980 1.00 0.46 C ATOM 1014 CG1 VAL A 72 -10.228 1.205 -7.329 1.00 0.56 C ATOM 1015 CG2 VAL A 72 -8.405 0.329 -5.939 1.00 0.49 C ATOM 0 H VAL A 72 -6.417 2.174 -6.844 1.00 0.40 H new ATOM 0 HA VAL A 72 -7.845 0.338 -8.611 1.00 0.44 H new ATOM 0 HB VAL A 72 -8.615 2.426 -6.607 1.00 0.46 H new ATOM 0 HG11 VAL A 72 -10.828 1.277 -6.422 1.00 0.56 H new ATOM 0 HG12 VAL A 72 -10.545 1.972 -8.036 1.00 0.56 H new ATOM 0 HG13 VAL A 72 -10.364 0.221 -7.777 1.00 0.56 H new ATOM 0 HG21 VAL A 72 -9.101 0.398 -5.103 1.00 0.49 H new ATOM 0 HG22 VAL A 72 -8.485 -0.656 -6.398 1.00 0.49 H new ATOM 0 HG23 VAL A 72 -7.388 0.479 -5.578 1.00 0.49 H new ATOM 1025 N SER A 73 -7.226 3.159 -9.782 1.00 0.74 N ATOM 1026 CA SER A 73 -7.505 4.065 -10.896 1.00 0.89 C ATOM 1027 C SER A 73 -7.972 3.310 -12.135 1.00 0.64 C ATOM 1028 O SER A 73 -8.749 3.839 -12.928 1.00 0.75 O ATOM 1029 CB SER A 73 -6.325 4.995 -11.219 1.00 1.34 C ATOM 1030 OG SER A 73 -5.213 4.335 -11.810 1.00 2.96 O ATOM 0 H SER A 73 -6.290 3.256 -9.389 1.00 0.74 H new ATOM 0 HA SER A 73 -8.324 4.705 -10.568 1.00 0.89 H new ATOM 0 HB2 SER A 73 -6.668 5.780 -11.893 1.00 1.34 H new ATOM 0 HB3 SER A 73 -5.999 5.483 -10.301 1.00 1.34 H new ATOM 0 HG SER A 73 -4.652 3.947 -11.107 1.00 2.96 H new ATOM 1036 N GLU A 74 -7.543 2.061 -12.303 1.00 0.64 N ATOM 1037 CA GLU A 74 -7.937 1.214 -13.416 1.00 0.80 C ATOM 1038 C GLU A 74 -9.400 0.752 -13.286 1.00 0.88 C ATOM 1039 O GLU A 74 -9.725 -0.370 -13.654 1.00 1.06 O ATOM 1040 CB GLU A 74 -6.962 0.017 -13.491 1.00 1.03 C ATOM 1041 CG GLU A 74 -5.489 0.440 -13.435 1.00 1.53 C ATOM 1042 CD GLU A 74 -5.093 1.301 -14.616 1.00 2.55 C ATOM 1043 OE1 GLU A 74 -5.793 1.262 -15.650 1.00 3.62 O ATOM 1044 OE2 GLU A 74 -4.078 2.014 -14.458 1.00 3.37 O ATOM 0 H GLU A 74 -6.900 1.605 -11.655 1.00 0.64 H new ATOM 0 HA GLU A 74 -7.881 1.783 -14.344 1.00 0.80 H new ATOM 0 HB2 GLU A 74 -7.170 -0.666 -12.667 1.00 1.03 H new ATOM 0 HB3 GLU A 74 -7.141 -0.533 -14.415 1.00 1.03 H new ATOM 0 HG2 GLU A 74 -5.306 0.988 -12.511 1.00 1.53 H new ATOM 0 HG3 GLU A 74 -4.859 -0.449 -13.409 1.00 1.53 H new ATOM 1051 N ARG A 75 -10.298 1.536 -12.684 1.00 1.01 N ATOM 1052 CA ARG A 75 -11.677 1.122 -12.468 1.00 1.16 C ATOM 1053 C ARG A 75 -12.417 0.963 -13.802 1.00 1.45 C ATOM 1054 O ARG A 75 -12.948 -0.117 -14.050 1.00 1.59 O ATOM 1055 CB ARG A 75 -12.379 2.004 -11.424 1.00 1.17 C ATOM 1056 CG ARG A 75 -13.742 1.411 -11.041 1.00 1.35 C ATOM 1057 CD ARG A 75 -14.198 1.950 -9.681 1.00 1.51 C ATOM 1058 NE ARG A 75 -15.520 1.419 -9.324 1.00 1.88 N ATOM 1059 CZ ARG A 75 -16.131 1.544 -8.137 1.00 2.73 C ATOM 1060 NH1 ARG A 75 -15.481 2.055 -7.085 1.00 3.37 N ATOM 1061 NH2 ARG A 75 -17.395 1.147 -8.031 1.00 3.89 N ATOM 0 H ARG A 75 -10.086 2.471 -12.336 1.00 1.01 H new ATOM 0 HA ARG A 75 -11.687 0.128 -12.022 1.00 1.16 H new ATOM 0 HB2 ARG A 75 -11.753 2.093 -10.536 1.00 1.17 H new ATOM 0 HB3 ARG A 75 -12.513 3.010 -11.822 1.00 1.17 H new ATOM 0 HG2 ARG A 75 -14.480 1.659 -11.803 1.00 1.35 H new ATOM 0 HG3 ARG A 75 -13.675 0.324 -11.004 1.00 1.35 H new ATOM 0 HD2 ARG A 75 -13.473 1.676 -8.915 1.00 1.51 H new ATOM 0 HD3 ARG A 75 -14.235 3.039 -9.711 1.00 1.51 H new ATOM 0 HE ARG A 75 -16.022 0.906 -10.049 1.00 1.88 H new ATOM 0 HH11 ARG A 75 -14.511 2.354 -7.181 1.00 3.37 H new ATOM 0 HH12 ARG A 75 -15.956 2.145 -6.187 1.00 3.37 H new ATOM 0 HH21 ARG A 75 -17.877 0.758 -8.841 1.00 3.89 H new ATOM 0 HH22 ARG A 75 -17.883 1.231 -7.139 1.00 3.89 H new ATOM 1075 N PRO A 76 -12.415 1.962 -14.701 1.00 1.58 N ATOM 1076 CA PRO A 76 -12.983 1.804 -16.035 1.00 1.83 C ATOM 1077 C PRO A 76 -12.110 0.965 -16.983 1.00 1.99 C ATOM 1078 O PRO A 76 -12.269 1.077 -18.201 1.00 2.66 O ATOM 1079 CB PRO A 76 -13.175 3.233 -16.550 1.00 2.18 C ATOM 1080 CG PRO A 76 -12.085 4.026 -15.838 1.00 1.92 C ATOM 1081 CD PRO A 76 -12.039 3.351 -14.472 1.00 1.65 C ATOM 0 HA PRO A 76 -13.918 1.246 -15.992 1.00 1.83 H new ATOM 0 HB2 PRO A 76 -13.065 3.286 -17.633 1.00 2.18 H new ATOM 0 HB3 PRO A 76 -14.168 3.614 -16.311 1.00 2.18 H new ATOM 0 HG2 PRO A 76 -11.129 3.961 -16.357 1.00 1.92 H new ATOM 0 HG3 PRO A 76 -12.335 5.084 -15.761 1.00 1.92 H new ATOM 0 HD2 PRO A 76 -11.042 3.419 -14.036 1.00 1.65 H new ATOM 0 HD3 PRO A 76 -12.726 3.832 -13.775 1.00 1.65 H new ATOM 1089 N SER A 77 -11.190 0.137 -16.478 1.00 1.63 N ATOM 1090 CA SER A 77 -10.366 -0.735 -17.294 1.00 1.82 C ATOM 1091 C SER A 77 -10.290 -2.160 -16.753 1.00 1.70 C ATOM 1092 O SER A 77 -10.277 -3.078 -17.561 1.00 2.02 O ATOM 1093 CB SER A 77 -8.989 -0.102 -17.480 1.00 2.11 C ATOM 1094 OG SER A 77 -8.555 0.572 -16.308 1.00 2.06 O ATOM 0 H SER A 77 -11.001 0.059 -15.479 1.00 1.63 H new ATOM 0 HA SER A 77 -10.838 -0.836 -18.271 1.00 1.82 H new ATOM 0 HB2 SER A 77 -8.267 -0.875 -17.743 1.00 2.11 H new ATOM 0 HB3 SER A 77 -9.022 0.601 -18.312 1.00 2.11 H new ATOM 0 HG SER A 77 -7.581 0.677 -16.333 1.00 2.06 H new ATOM 1100 N TYR A 78 -10.280 -2.406 -15.445 1.00 1.41 N ATOM 1101 CA TYR A 78 -10.293 -3.780 -14.956 1.00 1.42 C ATOM 1102 C TYR A 78 -11.762 -4.198 -14.974 1.00 1.28 C ATOM 1103 O TYR A 78 -12.644 -3.344 -14.922 1.00 1.46 O ATOM 1104 CB TYR A 78 -9.646 -3.890 -13.556 1.00 1.50 C ATOM 1105 CG TYR A 78 -10.626 -4.008 -12.403 1.00 1.07 C ATOM 1106 CD1 TYR A 78 -11.187 -5.260 -12.097 1.00 1.79 C ATOM 1107 CD2 TYR A 78 -11.138 -2.858 -11.780 1.00 1.99 C ATOM 1108 CE1 TYR A 78 -12.386 -5.332 -11.371 1.00 2.10 C ATOM 1109 CE2 TYR A 78 -12.283 -2.940 -10.973 1.00 2.12 C ATOM 1110 CZ TYR A 78 -12.947 -4.167 -10.825 1.00 1.71 C ATOM 1111 OH TYR A 78 -14.186 -4.195 -10.264 1.00 2.47 O ATOM 0 H TYR A 78 -10.263 -1.689 -14.720 1.00 1.41 H new ATOM 0 HA TYR A 78 -9.697 -4.446 -15.579 1.00 1.42 H new ATOM 0 HB2 TYR A 78 -8.988 -4.759 -13.544 1.00 1.50 H new ATOM 0 HB3 TYR A 78 -9.019 -3.013 -13.392 1.00 1.50 H new ATOM 0 HD1 TYR A 78 -10.696 -6.166 -12.420 1.00 1.79 H new ATOM 0 HD2 TYR A 78 -10.648 -1.906 -11.923 1.00 1.99 H new ATOM 0 HE1 TYR A 78 -12.877 -6.284 -11.232 1.00 2.10 H new ATOM 0 HE2 TYR A 78 -12.652 -2.060 -10.467 1.00 2.12 H new ATOM 0 HH TYR A 78 -14.417 -3.301 -9.935 1.00 2.47 H new ATOM 1121 N ASN A 79 -12.062 -5.485 -15.094 1.00 1.12 N ATOM 1122 CA ASN A 79 -13.444 -5.954 -15.065 1.00 1.13 C ATOM 1123 C ASN A 79 -13.443 -7.372 -14.512 1.00 1.14 C ATOM 1124 O ASN A 79 -12.496 -7.710 -13.807 1.00 2.05 O ATOM 1125 CB ASN A 79 -14.063 -5.821 -16.462 1.00 1.29 C ATOM 1126 CG ASN A 79 -15.583 -5.819 -16.363 1.00 1.75 C ATOM 1127 OD1 ASN A 79 -16.228 -6.842 -16.560 1.00 1.56 O ATOM 1128 ND2 ASN A 79 -16.162 -4.680 -16.001 1.00 3.07 N ATOM 0 H ASN A 79 -11.368 -6.223 -15.212 1.00 1.12 H new ATOM 0 HA ASN A 79 -14.072 -5.350 -14.410 1.00 1.13 H new ATOM 0 HB2 ASN A 79 -13.720 -4.900 -16.934 1.00 1.29 H new ATOM 0 HB3 ASN A 79 -13.733 -6.645 -17.094 1.00 1.29 H new ATOM 0 HD21 ASN A 79 -17.174 -4.639 -15.879 1.00 3.07 H new ATOM 0 HD22 ASN A 79 -15.595 -3.847 -15.845 1.00 3.07 H new ATOM 1135 N TYR A 80 -14.426 -8.218 -14.821 1.00 1.22 N ATOM 1136 CA TYR A 80 -14.382 -9.640 -14.514 1.00 1.30 C ATOM 1137 C TYR A 80 -14.652 -10.389 -15.815 1.00 1.67 C ATOM 1138 O TYR A 80 -14.158 -9.969 -16.857 1.00 2.70 O ATOM 1139 CB TYR A 80 -15.356 -9.966 -13.365 1.00 1.40 C ATOM 1140 CG TYR A 80 -15.083 -11.211 -12.527 1.00 1.44 C ATOM 1141 CD1 TYR A 80 -14.047 -12.120 -12.834 1.00 2.75 C ATOM 1142 CD2 TYR A 80 -15.781 -11.355 -11.312 1.00 1.54 C ATOM 1143 CE1 TYR A 80 -13.629 -13.062 -11.879 1.00 2.87 C ATOM 1144 CE2 TYR A 80 -15.376 -12.315 -10.369 1.00 1.53 C ATOM 1145 CZ TYR A 80 -14.266 -13.130 -10.630 1.00 1.68 C ATOM 1146 OH TYR A 80 -13.764 -13.919 -9.642 1.00 2.01 O ATOM 0 H TYR A 80 -15.281 -7.929 -15.296 1.00 1.22 H new ATOM 0 HA TYR A 80 -13.407 -9.959 -14.144 1.00 1.30 H new ATOM 0 HB2 TYR A 80 -15.378 -9.109 -12.692 1.00 1.40 H new ATOM 0 HB3 TYR A 80 -16.355 -10.062 -13.791 1.00 1.40 H new ATOM 0 HD1 TYR A 80 -13.575 -12.091 -13.805 1.00 2.75 H new ATOM 0 HD2 TYR A 80 -16.632 -10.724 -11.104 1.00 1.54 H new ATOM 0 HE1 TYR A 80 -12.816 -13.735 -12.106 1.00 2.87 H new ATOM 0 HE2 TYR A 80 -15.920 -12.425 -9.443 1.00 1.53 H new ATOM 0 HH TYR A 80 -12.827 -14.129 -9.836 1.00 2.01 H new ATOM 1156 N ALA A 81 -15.335 -11.531 -15.755 1.00 1.76 N ATOM 1157 CA ALA A 81 -15.788 -12.369 -16.843 1.00 2.08 C ATOM 1158 C ALA A 81 -14.639 -13.275 -17.257 1.00 2.21 C ATOM 1159 O ALA A 81 -14.769 -14.492 -17.306 1.00 2.56 O ATOM 1160 CB ALA A 81 -16.412 -11.551 -17.964 1.00 2.26 C ATOM 0 H ALA A 81 -15.607 -11.922 -14.853 1.00 1.76 H new ATOM 0 HA ALA A 81 -16.605 -13.016 -16.525 1.00 2.08 H new ATOM 0 HB1 ALA A 81 -16.739 -12.217 -18.762 1.00 2.26 H new ATOM 0 HB2 ALA A 81 -17.269 -10.999 -17.578 1.00 2.26 H new ATOM 0 HB3 ALA A 81 -15.675 -10.850 -18.356 1.00 2.26 H new ATOM 1166 N THR A 82 -13.490 -12.656 -17.501 1.00 2.08 N ATOM 1167 CA THR A 82 -12.324 -13.294 -18.080 1.00 2.33 C ATOM 1168 C THR A 82 -11.102 -13.167 -17.165 1.00 2.21 C ATOM 1169 O THR A 82 -9.979 -13.388 -17.608 1.00 2.61 O ATOM 1170 CB THR A 82 -12.110 -12.669 -19.463 1.00 2.61 C ATOM 1171 OG1 THR A 82 -11.890 -11.278 -19.342 1.00 2.68 O ATOM 1172 CG2 THR A 82 -13.374 -12.856 -20.311 1.00 2.83 C ATOM 0 H THR A 82 -13.344 -11.668 -17.294 1.00 2.08 H new ATOM 0 HA THR A 82 -12.478 -14.368 -18.189 1.00 2.33 H new ATOM 0 HB THR A 82 -11.250 -13.153 -19.926 1.00 2.61 H new ATOM 0 HG1 THR A 82 -11.753 -10.890 -20.231 1.00 2.68 H new ATOM 0 HG21 THR A 82 -13.221 -12.411 -21.294 1.00 2.83 H new ATOM 0 HG22 THR A 82 -13.583 -13.920 -20.422 1.00 2.83 H new ATOM 0 HG23 THR A 82 -14.217 -12.370 -19.820 1.00 2.83 H new ATOM 1180 N ASN A 83 -11.314 -12.809 -15.892 1.00 1.87 N ATOM 1181 CA ASN A 83 -10.277 -12.763 -14.859 1.00 1.81 C ATOM 1182 C ASN A 83 -9.048 -11.961 -15.314 1.00 1.81 C ATOM 1183 O ASN A 83 -7.914 -12.364 -15.050 1.00 2.14 O ATOM 1184 CB ASN A 83 -9.911 -14.203 -14.451 1.00 2.09 C ATOM 1185 CG ASN A 83 -9.013 -14.310 -13.216 1.00 2.16 C ATOM 1186 OD1 ASN A 83 -7.931 -14.899 -13.265 1.00 2.77 O ATOM 1187 ND2 ASN A 83 -9.481 -13.839 -12.071 1.00 1.91 N ATOM 0 H ASN A 83 -12.234 -12.537 -15.546 1.00 1.87 H new ATOM 0 HA ASN A 83 -10.667 -12.238 -13.987 1.00 1.81 H new ATOM 0 HB2 ASN A 83 -10.830 -14.758 -14.264 1.00 2.09 H new ATOM 0 HB3 ASN A 83 -9.411 -14.688 -15.290 1.00 2.09 H new ATOM 0 HD21 ASN A 83 -8.945 -13.961 -11.212 1.00 1.91 H new ATOM 0 HD22 ASN A 83 -10.378 -13.354 -12.048 1.00 1.91 H new ATOM 1194 N GLN A 84 -9.249 -10.838 -16.017 1.00 1.60 N ATOM 1195 CA GLN A 84 -8.145 -10.039 -16.533 1.00 1.71 C ATOM 1196 C GLN A 84 -8.613 -8.598 -16.726 1.00 1.53 C ATOM 1197 O GLN A 84 -9.625 -8.202 -16.141 1.00 1.66 O ATOM 1198 CB GLN A 84 -7.519 -10.696 -17.781 1.00 2.02 C ATOM 1199 CG GLN A 84 -8.307 -10.519 -19.095 1.00 2.59 C ATOM 1200 CD GLN A 84 -7.559 -9.690 -20.145 1.00 3.83 C ATOM 1201 OE1 GLN A 84 -6.663 -8.915 -19.818 1.00 4.60 O ATOM 1202 NE2 GLN A 84 -7.916 -9.846 -21.413 1.00 4.77 N ATOM 0 H GLN A 84 -10.173 -10.467 -16.239 1.00 1.60 H new ATOM 0 HA GLN A 84 -7.328 -10.001 -15.812 1.00 1.71 H new ATOM 0 HB2 GLN A 84 -6.518 -10.287 -17.921 1.00 2.02 H new ATOM 0 HB3 GLN A 84 -7.404 -11.763 -17.589 1.00 2.02 H new ATOM 0 HG2 GLN A 84 -8.532 -11.501 -19.511 1.00 2.59 H new ATOM 0 HG3 GLN A 84 -9.261 -10.040 -18.876 1.00 2.59 H new ATOM 0 HE21 GLN A 84 -8.663 -10.496 -21.656 1.00 4.77 H new ATOM 0 HE22 GLN A 84 -7.443 -9.316 -22.145 1.00 4.77 H new ATOM 1211 N CYS A 85 -7.885 -7.802 -17.505 1.00 1.75 N ATOM 1212 CA CYS A 85 -8.277 -6.434 -17.803 1.00 1.75 C ATOM 1213 C CYS A 85 -9.209 -6.400 -19.007 1.00 1.73 C ATOM 1214 O CYS A 85 -9.254 -7.352 -19.783 1.00 2.26 O ATOM 1215 CB CYS A 85 -7.057 -5.554 -18.026 1.00 2.28 C ATOM 1216 SG CYS A 85 -7.507 -3.811 -17.993 1.00 3.97 S ATOM 0 H CYS A 85 -7.010 -8.089 -17.944 1.00 1.75 H new ATOM 0 HA CYS A 85 -8.817 -6.035 -16.944 1.00 1.75 H new ATOM 0 HB2 CYS A 85 -6.312 -5.756 -17.256 1.00 2.28 H new ATOM 0 HB3 CYS A 85 -6.599 -5.797 -18.985 1.00 2.28 H new ATOM 1221 N VAL A 86 -9.966 -5.321 -19.189 1.00 1.77 N ATOM 1222 CA VAL A 86 -10.802 -5.163 -20.360 1.00 1.80 C ATOM 1223 C VAL A 86 -9.795 -5.084 -21.509 1.00 2.01 C ATOM 1224 O VAL A 86 -8.912 -4.218 -21.526 1.00 2.50 O ATOM 1225 CB VAL A 86 -11.587 -3.850 -20.296 1.00 1.77 C ATOM 1226 CG1 VAL A 86 -12.050 -3.332 -21.659 1.00 1.87 C ATOM 1227 CG2 VAL A 86 -12.716 -3.870 -19.269 1.00 1.79 C ATOM 0 H VAL A 86 -10.013 -4.542 -18.532 1.00 1.77 H new ATOM 0 HA VAL A 86 -11.530 -5.968 -20.460 1.00 1.80 H new ATOM 0 HB VAL A 86 -10.860 -3.120 -19.939 1.00 1.77 H new ATOM 0 HG11 VAL A 86 -12.598 -2.399 -21.527 1.00 1.87 H new ATOM 0 HG12 VAL A 86 -11.183 -3.156 -22.295 1.00 1.87 H new ATOM 0 HG13 VAL A 86 -12.700 -4.071 -22.128 1.00 1.87 H new ATOM 0 HG21 VAL A 86 -13.231 -2.909 -19.276 1.00 1.79 H new ATOM 0 HG22 VAL A 86 -13.422 -4.662 -19.520 1.00 1.79 H new ATOM 0 HG23 VAL A 86 -12.302 -4.053 -18.277 1.00 1.79 H new ATOM 1237 N GLY A 87 -9.937 -5.993 -22.455 1.00 2.00 N ATOM 1238 CA GLY A 87 -9.027 -6.203 -23.569 1.00 2.35 C ATOM 1239 C GLY A 87 -7.678 -6.754 -23.099 1.00 2.85 C ATOM 1240 O GLY A 87 -7.326 -7.887 -23.414 1.00 4.16 O ATOM 0 H GLY A 87 -10.728 -6.637 -22.470 1.00 2.00 H new ATOM 0 HA2 GLY A 87 -9.476 -6.896 -24.280 1.00 2.35 H new ATOM 0 HA3 GLY A 87 -8.872 -5.261 -24.096 1.00 2.35 H new ATOM 1244 N GLY A 88 -6.915 -5.942 -22.370 1.00 2.67 N ATOM 1245 CA GLY A 88 -5.547 -6.233 -21.975 1.00 3.70 C ATOM 1246 C GLY A 88 -4.716 -4.963 -22.139 1.00 3.26 C ATOM 1247 O GLY A 88 -4.397 -4.593 -23.269 1.00 4.05 O ATOM 0 H GLY A 88 -7.245 -5.039 -22.030 1.00 2.67 H new ATOM 0 HA2 GLY A 88 -5.516 -6.575 -20.941 1.00 3.70 H new ATOM 0 HA3 GLY A 88 -5.138 -7.036 -22.589 1.00 3.70 H new ATOM 1251 N LYS A 89 -4.428 -4.246 -21.050 1.00 2.69 N ATOM 1252 CA LYS A 89 -3.667 -2.995 -21.057 1.00 2.50 C ATOM 1253 C LYS A 89 -2.764 -2.953 -19.812 1.00 2.28 C ATOM 1254 O LYS A 89 -2.688 -3.925 -19.060 1.00 2.79 O ATOM 1255 CB LYS A 89 -4.603 -1.770 -21.135 1.00 3.02 C ATOM 1256 CG LYS A 89 -5.198 -1.573 -22.533 1.00 3.81 C ATOM 1257 CD LYS A 89 -6.487 -2.376 -22.746 1.00 4.94 C ATOM 1258 CE LYS A 89 -7.745 -1.498 -22.771 1.00 5.95 C ATOM 1259 NZ LYS A 89 -8.068 -0.946 -21.440 1.00 6.46 N ATOM 0 H LYS A 89 -4.725 -4.527 -20.116 1.00 2.69 H new ATOM 0 HA LYS A 89 -3.039 -2.956 -21.947 1.00 2.50 H new ATOM 0 HB2 LYS A 89 -5.411 -1.888 -20.413 1.00 3.02 H new ATOM 0 HB3 LYS A 89 -4.049 -0.875 -20.850 1.00 3.02 H new ATOM 0 HG2 LYS A 89 -5.404 -0.514 -22.690 1.00 3.81 H new ATOM 0 HG3 LYS A 89 -4.463 -1.869 -23.281 1.00 3.81 H new ATOM 0 HD2 LYS A 89 -6.415 -2.925 -23.685 1.00 4.94 H new ATOM 0 HD3 LYS A 89 -6.583 -3.116 -21.951 1.00 4.94 H new ATOM 0 HE2 LYS A 89 -7.601 -0.680 -23.476 1.00 5.95 H new ATOM 0 HE3 LYS A 89 -8.589 -2.086 -23.133 1.00 5.95 H new ATOM 0 HZ1 LYS A 89 -8.925 -0.360 -21.506 1.00 6.46 H new ATOM 0 HZ2 LYS A 89 -8.232 -1.726 -20.771 1.00 6.46 H new ATOM 0 HZ3 LYS A 89 -7.275 -0.363 -21.104 1.00 6.46 H new ATOM 1273 N LYS A 90 -2.101 -1.824 -19.557 1.00 2.23 N ATOM 1274 CA LYS A 90 -1.299 -1.594 -18.360 1.00 2.25 C ATOM 1275 C LYS A 90 -2.203 -1.380 -17.137 1.00 1.88 C ATOM 1276 O LYS A 90 -2.190 -0.308 -16.534 1.00 2.26 O ATOM 1277 CB LYS A 90 -0.406 -0.366 -18.590 1.00 2.86 C ATOM 1278 CG LYS A 90 0.680 -0.654 -19.634 1.00 3.47 C ATOM 1279 CD LYS A 90 1.354 0.607 -20.191 1.00 4.14 C ATOM 1280 CE LYS A 90 2.421 1.234 -19.280 1.00 4.96 C ATOM 1281 NZ LYS A 90 1.891 1.700 -17.986 1.00 5.19 N ATOM 0 H LYS A 90 -2.109 -1.027 -20.194 1.00 2.23 H new ATOM 0 HA LYS A 90 -0.677 -2.467 -18.166 1.00 2.25 H new ATOM 0 HB2 LYS A 90 -1.017 0.474 -18.920 1.00 2.86 H new ATOM 0 HB3 LYS A 90 0.060 -0.071 -17.650 1.00 2.86 H new ATOM 0 HG2 LYS A 90 1.441 -1.294 -19.186 1.00 3.47 H new ATOM 0 HG3 LYS A 90 0.239 -1.213 -20.459 1.00 3.47 H new ATOM 0 HD2 LYS A 90 1.815 0.361 -21.148 1.00 4.14 H new ATOM 0 HD3 LYS A 90 0.585 1.353 -20.390 1.00 4.14 H new ATOM 0 HE2 LYS A 90 3.208 0.502 -19.099 1.00 4.96 H new ATOM 0 HE3 LYS A 90 2.881 2.075 -19.799 1.00 4.96 H new ATOM 0 HZ1 LYS A 90 2.462 2.500 -17.645 1.00 5.19 H new ATOM 0 HZ2 LYS A 90 0.904 2.005 -18.105 1.00 5.19 H new ATOM 0 HZ3 LYS A 90 1.933 0.925 -17.294 1.00 5.19 H new ATOM 1295 N CYS A 91 -2.984 -2.391 -16.766 1.00 1.51 N ATOM 1296 CA CYS A 91 -3.984 -2.322 -15.701 1.00 1.42 C ATOM 1297 C CYS A 91 -3.376 -2.978 -14.465 1.00 1.28 C ATOM 1298 O CYS A 91 -3.965 -3.881 -13.870 1.00 2.23 O ATOM 1299 CB CYS A 91 -5.254 -3.053 -16.142 1.00 1.73 C ATOM 1300 SG CYS A 91 -5.756 -2.731 -17.837 1.00 3.72 S ATOM 0 H CYS A 91 -2.938 -3.308 -17.210 1.00 1.51 H new ATOM 0 HA CYS A 91 -4.257 -1.290 -15.478 1.00 1.42 H new ATOM 0 HB2 CYS A 91 -5.100 -4.125 -16.020 1.00 1.73 H new ATOM 0 HB3 CYS A 91 -6.069 -2.770 -15.476 1.00 1.73 H new ATOM 1305 N ARG A 92 -2.136 -2.612 -14.140 1.00 1.20 N ATOM 1306 CA ARG A 92 -1.274 -3.371 -13.252 1.00 1.02 C ATOM 1307 C ARG A 92 -0.992 -2.611 -11.969 1.00 1.18 C ATOM 1308 O ARG A 92 0.133 -2.180 -11.724 1.00 2.02 O ATOM 1309 CB ARG A 92 0.016 -3.776 -13.982 1.00 0.92 C ATOM 1310 CG ARG A 92 -0.115 -5.170 -14.587 1.00 1.89 C ATOM 1311 CD ARG A 92 -0.231 -6.226 -13.475 1.00 1.64 C ATOM 1312 NE ARG A 92 0.260 -7.540 -13.915 1.00 2.44 N ATOM 1313 CZ ARG A 92 1.395 -8.156 -13.545 1.00 2.37 C ATOM 1314 NH1 ARG A 92 2.271 -7.568 -12.724 1.00 2.98 N ATOM 1315 NH2 ARG A 92 1.622 -9.390 -13.985 1.00 3.20 N ATOM 0 H ARG A 92 -1.700 -1.762 -14.497 1.00 1.20 H new ATOM 0 HA ARG A 92 -1.793 -4.285 -12.962 1.00 1.02 H new ATOM 0 HB2 ARG A 92 0.236 -3.053 -14.768 1.00 0.92 H new ATOM 0 HB3 ARG A 92 0.854 -3.755 -13.286 1.00 0.92 H new ATOM 0 HG2 ARG A 92 -0.993 -5.213 -15.232 1.00 1.89 H new ATOM 0 HG3 ARG A 92 0.751 -5.385 -15.213 1.00 1.89 H new ATOM 0 HD2 ARG A 92 0.336 -5.899 -12.603 1.00 1.64 H new ATOM 0 HD3 ARG A 92 -1.272 -6.313 -13.164 1.00 1.64 H new ATOM 0 HE ARG A 92 -0.330 -8.042 -14.578 1.00 2.44 H new ATOM 0 HH11 ARG A 92 2.084 -6.632 -12.365 1.00 2.98 H new ATOM 0 HH12 ARG A 92 3.126 -8.056 -12.457 1.00 2.98 H new ATOM 0 HH21 ARG A 92 0.941 -9.849 -14.590 1.00 3.20 H new ATOM 0 HH22 ARG A 92 2.477 -9.878 -13.717 1.00 3.20 H new ATOM 1329 N HIS A 93 -2.014 -2.529 -11.124 1.00 0.70 N ATOM 1330 CA HIS A 93 -1.892 -2.257 -9.700 1.00 0.55 C ATOM 1331 C HIS A 93 -3.126 -2.834 -9.011 1.00 0.46 C ATOM 1332 O HIS A 93 -2.985 -3.599 -8.062 1.00 0.47 O ATOM 1333 CB HIS A 93 -1.707 -0.767 -9.390 1.00 0.67 C ATOM 1334 CG HIS A 93 -0.326 -0.205 -9.639 1.00 0.73 C ATOM 1335 ND1 HIS A 93 0.869 -0.828 -9.379 1.00 1.11 N flip ATOM 1336 CD2 HIS A 93 -0.052 1.053 -10.146 1.00 0.77 C flip ATOM 1337 CE1 HIS A 93 1.860 0.059 -9.747 1.00 1.29 C flip ATOM 1338 NE2 HIS A 93 1.285 1.191 -10.192 1.00 1.08 N flip ATOM 0 H HIS A 93 -2.981 -2.654 -11.423 1.00 0.70 H new ATOM 0 HA HIS A 93 -0.989 -2.733 -9.319 1.00 0.55 H new ATOM 0 HB2 HIS A 93 -2.421 -0.200 -9.987 1.00 0.67 H new ATOM 0 HB3 HIS A 93 -1.963 -0.599 -8.344 1.00 0.67 H new ATOM 0 HD2 HIS A 93 -0.780 1.791 -10.450 1.00 0.77 H new ATOM 0 HE1 HIS A 93 2.923 -0.125 -9.688 1.00 1.29 H new ATOM 0 HE2 HIS A 93 1.783 2.021 -10.513 1.00 1.08 H new ATOM 1347 N TYR A 94 -4.323 -2.539 -9.525 1.00 0.48 N ATOM 1348 CA TYR A 94 -5.568 -3.112 -9.023 1.00 0.41 C ATOM 1349 C TYR A 94 -5.439 -4.616 -8.799 1.00 0.39 C ATOM 1350 O TYR A 94 -5.708 -5.106 -7.711 1.00 0.34 O ATOM 1351 CB TYR A 94 -6.721 -2.836 -9.990 1.00 0.43 C ATOM 1352 CG TYR A 94 -8.045 -3.375 -9.482 1.00 0.63 C ATOM 1353 CD1 TYR A 94 -8.793 -2.618 -8.570 1.00 1.91 C ATOM 1354 CD2 TYR A 94 -8.479 -4.668 -9.821 1.00 1.33 C ATOM 1355 CE1 TYR A 94 -10.041 -3.067 -8.125 1.00 2.25 C ATOM 1356 CE2 TYR A 94 -9.679 -5.169 -9.283 1.00 1.43 C ATOM 1357 CZ TYR A 94 -10.490 -4.343 -8.488 1.00 1.45 C ATOM 1358 OH TYR A 94 -11.707 -4.784 -8.081 1.00 1.88 O ATOM 0 H TYR A 94 -4.453 -1.893 -10.304 1.00 0.48 H new ATOM 0 HA TYR A 94 -5.780 -2.636 -8.066 1.00 0.41 H new ATOM 0 HB2 TYR A 94 -6.807 -1.761 -10.151 1.00 0.43 H new ATOM 0 HB3 TYR A 94 -6.496 -3.286 -10.957 1.00 0.43 H new ATOM 0 HD1 TYR A 94 -8.402 -1.679 -8.207 1.00 1.91 H new ATOM 0 HD2 TYR A 94 -7.892 -5.276 -10.493 1.00 1.33 H new ATOM 0 HE1 TYR A 94 -10.656 -2.432 -7.504 1.00 2.25 H new ATOM 0 HE2 TYR A 94 -9.976 -6.188 -9.481 1.00 1.43 H new ATOM 0 HH TYR A 94 -12.284 -4.920 -8.862 1.00 1.88 H new ATOM 1368 N THR A 95 -4.985 -5.344 -9.818 1.00 0.51 N ATOM 1369 CA THR A 95 -4.748 -6.782 -9.767 1.00 0.58 C ATOM 1370 C THR A 95 -4.036 -7.219 -8.483 1.00 0.59 C ATOM 1371 O THR A 95 -4.285 -8.295 -7.949 1.00 0.79 O ATOM 1372 CB THR A 95 -3.865 -7.136 -10.969 1.00 0.73 C ATOM 1373 OG1 THR A 95 -2.825 -6.172 -11.100 1.00 0.80 O ATOM 1374 CG2 THR A 95 -4.671 -7.131 -12.264 1.00 0.91 C ATOM 0 H THR A 95 -4.766 -4.936 -10.727 1.00 0.51 H new ATOM 0 HA THR A 95 -5.709 -7.296 -9.788 1.00 0.58 H new ATOM 0 HB THR A 95 -3.456 -8.132 -10.798 1.00 0.73 H new ATOM 0 HG1 THR A 95 -3.109 -5.466 -11.717 1.00 0.80 H new ATOM 0 HG21 THR A 95 -4.019 -7.385 -13.099 1.00 0.91 H new ATOM 0 HG22 THR A 95 -5.475 -7.864 -12.195 1.00 0.91 H new ATOM 0 HG23 THR A 95 -5.096 -6.140 -12.424 1.00 0.91 H new ATOM 1382 N GLN A 96 -3.081 -6.397 -8.054 1.00 0.58 N ATOM 1383 CA GLN A 96 -2.171 -6.672 -6.969 1.00 0.71 C ATOM 1384 C GLN A 96 -2.882 -6.335 -5.653 1.00 0.63 C ATOM 1385 O GLN A 96 -2.930 -7.159 -4.748 1.00 0.78 O ATOM 1386 CB GLN A 96 -0.892 -5.864 -7.251 1.00 1.02 C ATOM 1387 CG GLN A 96 0.362 -6.437 -6.598 1.00 1.59 C ATOM 1388 CD GLN A 96 0.399 -6.109 -5.119 1.00 1.49 C ATOM 1389 OE1 GLN A 96 0.807 -5.015 -4.749 1.00 3.13 O ATOM 1390 NE2 GLN A 96 -0.081 -7.013 -4.281 1.00 1.19 N ATOM 0 H GLN A 96 -2.922 -5.483 -8.479 1.00 0.58 H new ATOM 0 HA GLN A 96 -1.876 -7.718 -6.883 1.00 0.71 H new ATOM 0 HB2 GLN A 96 -0.737 -5.813 -8.329 1.00 1.02 H new ATOM 0 HB3 GLN A 96 -1.036 -4.842 -6.901 1.00 1.02 H new ATOM 0 HG2 GLN A 96 0.387 -7.518 -6.736 1.00 1.59 H new ATOM 0 HG3 GLN A 96 1.249 -6.033 -7.087 1.00 1.59 H new ATOM 0 HE21 GLN A 96 -0.410 -7.912 -4.634 1.00 1.19 H new ATOM 0 HE22 GLN A 96 -0.122 -6.811 -3.282 1.00 1.19 H new ATOM 1399 N VAL A 97 -3.503 -5.156 -5.578 1.00 0.52 N ATOM 1400 CA VAL A 97 -4.331 -4.746 -4.443 1.00 0.57 C ATOM 1401 C VAL A 97 -5.352 -5.841 -4.133 1.00 0.59 C ATOM 1402 O VAL A 97 -5.515 -6.279 -2.993 1.00 0.82 O ATOM 1403 CB VAL A 97 -5.020 -3.412 -4.795 1.00 0.55 C ATOM 1404 CG1 VAL A 97 -6.159 -3.017 -3.847 1.00 0.53 C ATOM 1405 CG2 VAL A 97 -3.973 -2.300 -4.789 1.00 0.62 C ATOM 0 H VAL A 97 -3.444 -4.451 -6.313 1.00 0.52 H new ATOM 0 HA VAL A 97 -3.720 -4.600 -3.552 1.00 0.57 H new ATOM 0 HB VAL A 97 -5.470 -3.551 -5.778 1.00 0.55 H new ATOM 0 HG11 VAL A 97 -6.587 -2.067 -4.168 1.00 0.53 H new ATOM 0 HG12 VAL A 97 -6.930 -3.787 -3.864 1.00 0.53 H new ATOM 0 HG13 VAL A 97 -5.770 -2.916 -2.834 1.00 0.53 H new ATOM 0 HG21 VAL A 97 -4.449 -1.351 -5.037 1.00 0.62 H new ATOM 0 HG22 VAL A 97 -3.520 -2.232 -3.800 1.00 0.62 H new ATOM 0 HG23 VAL A 97 -3.202 -2.523 -5.526 1.00 0.62 H new ATOM 1415 N VAL A 98 -6.012 -6.308 -5.185 1.00 0.42 N ATOM 1416 CA VAL A 98 -7.099 -7.258 -5.122 1.00 0.41 C ATOM 1417 C VAL A 98 -6.595 -8.698 -5.044 1.00 0.56 C ATOM 1418 O VAL A 98 -7.410 -9.612 -5.018 1.00 0.99 O ATOM 1419 CB VAL A 98 -8.066 -6.965 -6.297 1.00 0.47 C ATOM 1420 CG1 VAL A 98 -8.139 -8.057 -7.373 1.00 0.62 C ATOM 1421 CG2 VAL A 98 -9.469 -6.702 -5.759 1.00 0.58 C ATOM 0 H VAL A 98 -5.791 -6.020 -6.138 1.00 0.42 H new ATOM 0 HA VAL A 98 -7.663 -7.140 -4.197 1.00 0.41 H new ATOM 0 HB VAL A 98 -7.652 -6.086 -6.792 1.00 0.47 H new ATOM 0 HG11 VAL A 98 -8.842 -7.756 -8.150 1.00 0.62 H new ATOM 0 HG12 VAL A 98 -7.152 -8.201 -7.813 1.00 0.62 H new ATOM 0 HG13 VAL A 98 -8.475 -8.991 -6.922 1.00 0.62 H new ATOM 0 HG21 VAL A 98 -10.145 -6.497 -6.589 1.00 0.58 H new ATOM 0 HG22 VAL A 98 -9.820 -7.578 -5.214 1.00 0.58 H new ATOM 0 HG23 VAL A 98 -9.446 -5.843 -5.089 1.00 0.58 H new ATOM 1431 N TRP A 99 -5.278 -8.918 -4.977 1.00 0.44 N ATOM 1432 CA TRP A 99 -4.718 -10.254 -4.979 1.00 0.43 C ATOM 1433 C TRP A 99 -5.240 -11.066 -3.796 1.00 0.47 C ATOM 1434 O TRP A 99 -4.742 -10.947 -2.678 1.00 0.52 O ATOM 1435 CB TRP A 99 -3.191 -10.195 -5.023 1.00 0.47 C ATOM 1436 CG TRP A 99 -2.510 -11.484 -5.356 1.00 0.53 C ATOM 1437 CD1 TRP A 99 -1.894 -12.291 -4.471 1.00 0.67 C ATOM 1438 CD2 TRP A 99 -2.287 -12.090 -6.659 1.00 0.67 C ATOM 1439 NE1 TRP A 99 -1.277 -13.329 -5.132 1.00 0.79 N ATOM 1440 CE2 TRP A 99 -1.482 -13.256 -6.492 1.00 0.80 C ATOM 1441 CE3 TRP A 99 -2.599 -11.713 -7.978 1.00 0.83 C ATOM 1442 CZ2 TRP A 99 -1.013 -14.000 -7.583 1.00 1.00 C ATOM 1443 CZ3 TRP A 99 -2.223 -12.511 -9.071 1.00 1.06 C ATOM 1444 CH2 TRP A 99 -1.415 -13.644 -8.878 1.00 1.12 C ATOM 0 H TRP A 99 -4.583 -8.174 -4.921 1.00 0.44 H new ATOM 0 HA TRP A 99 -5.044 -10.772 -5.881 1.00 0.43 H new ATOM 0 HB2 TRP A 99 -2.894 -9.446 -5.757 1.00 0.47 H new ATOM 0 HB3 TRP A 99 -2.829 -9.852 -4.054 1.00 0.47 H new ATOM 0 HD1 TRP A 99 -1.885 -12.145 -3.401 1.00 0.67 H new ATOM 0 HE1 TRP A 99 -0.736 -14.061 -4.672 1.00 0.79 H new ATOM 0 HE3 TRP A 99 -3.137 -10.793 -8.153 1.00 0.83 H new ATOM 0 HZ2 TRP A 99 -0.350 -14.838 -7.428 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 -2.557 -12.252 -10.065 1.00 1.06 H new ATOM 0 HH2 TRP A 99 -1.105 -14.239 -9.724 1.00 1.12 H new ATOM 1455 N ARG A 100 -6.248 -11.891 -4.059 1.00 0.54 N ATOM 1456 CA ARG A 100 -6.886 -12.808 -3.135 1.00 0.57 C ATOM 1457 C ARG A 100 -5.850 -13.550 -2.299 1.00 0.54 C ATOM 1458 O ARG A 100 -6.044 -13.768 -1.104 1.00 0.58 O ATOM 1459 CB ARG A 100 -7.766 -13.745 -3.976 1.00 0.64 C ATOM 1460 CG ARG A 100 -8.440 -14.858 -3.175 1.00 0.78 C ATOM 1461 CD ARG A 100 -9.332 -15.697 -4.094 1.00 1.52 C ATOM 1462 NE ARG A 100 -8.564 -16.671 -4.892 1.00 2.77 N ATOM 1463 CZ ARG A 100 -8.374 -16.628 -6.218 1.00 4.44 C ATOM 1464 NH1 ARG A 100 -8.505 -15.470 -6.864 1.00 5.38 N ATOM 1465 NH2 ARG A 100 -8.084 -17.747 -6.884 1.00 5.83 N ATOM 0 H ARG A 100 -6.666 -11.936 -4.988 1.00 0.54 H new ATOM 0 HA ARG A 100 -7.508 -12.280 -2.412 1.00 0.57 H new ATOM 0 HB2 ARG A 100 -8.535 -13.154 -4.473 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -7.154 -14.195 -4.758 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -7.685 -15.492 -2.710 1.00 0.78 H new ATOM 0 HG3 ARG A 100 -9.035 -14.428 -2.369 1.00 0.78 H new ATOM 0 HD2 ARG A 100 -10.071 -16.227 -3.493 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.881 -15.036 -4.764 1.00 1.52 H new ATOM 0 HE ARG A 100 -8.138 -17.449 -4.388 1.00 2.77 H new ATOM 0 HH11 ARG A 100 -8.748 -14.624 -6.349 1.00 5.38 H new ATOM 0 HH12 ARG A 100 -8.362 -15.430 -7.873 1.00 5.38 H new ATOM 0 HH21 ARG A 100 -8.007 -18.633 -6.384 1.00 5.83 H new ATOM 0 HH22 ARG A 100 -7.939 -17.717 -7.893 1.00 5.83 H new ATOM 1479 N ASN A 101 -4.744 -13.939 -2.923 1.00 0.57 N ATOM 1480 CA ASN A 101 -3.690 -14.704 -2.280 1.00 0.58 C ATOM 1481 C ASN A 101 -2.663 -13.780 -1.624 1.00 0.82 C ATOM 1482 O ASN A 101 -1.465 -14.001 -1.763 1.00 1.95 O ATOM 1483 CB ASN A 101 -3.099 -15.667 -3.318 1.00 0.66 C ATOM 1484 CG ASN A 101 -4.141 -16.728 -3.634 1.00 2.03 C ATOM 1485 OD1 ASN A 101 -4.853 -16.647 -4.630 1.00 3.21 O ATOM 1486 ND2 ASN A 101 -4.286 -17.711 -2.760 1.00 2.87 N ATOM 0 H ASN A 101 -4.555 -13.727 -3.903 1.00 0.57 H new ATOM 0 HA ASN A 101 -4.084 -15.303 -1.459 1.00 0.58 H new ATOM 0 HB2 ASN A 101 -2.822 -15.126 -4.223 1.00 0.66 H new ATOM 0 HB3 ASN A 101 -2.191 -16.130 -2.932 1.00 0.66 H new ATOM 0 HD21 ASN A 101 -5.002 -18.423 -2.907 1.00 2.87 H new ATOM 0 HD22 ASN A 101 -3.682 -17.757 -1.939 1.00 2.87 H new ATOM 1493 N SER A 102 -3.131 -12.748 -0.919 1.00 0.64 N ATOM 1494 CA SER A 102 -2.355 -11.950 0.019 1.00 0.62 C ATOM 1495 C SER A 102 -3.244 -11.709 1.238 1.00 0.70 C ATOM 1496 O SER A 102 -4.245 -10.999 1.128 1.00 1.02 O ATOM 1497 CB SER A 102 -1.926 -10.607 -0.582 1.00 0.77 C ATOM 1498 OG SER A 102 -1.027 -10.765 -1.664 1.00 1.51 O ATOM 0 H SER A 102 -4.100 -12.437 -0.992 1.00 0.64 H new ATOM 0 HA SER A 102 -1.440 -12.482 0.280 1.00 0.62 H new ATOM 0 HB2 SER A 102 -2.809 -10.065 -0.922 1.00 0.77 H new ATOM 0 HB3 SER A 102 -1.457 -9.999 0.191 1.00 0.77 H new ATOM 0 HG SER A 102 -0.278 -11.333 -1.387 1.00 1.51 H new ATOM 1504 N VAL A 103 -2.898 -12.310 2.376 1.00 0.62 N ATOM 1505 CA VAL A 103 -3.625 -12.147 3.633 1.00 0.72 C ATOM 1506 C VAL A 103 -2.972 -11.096 4.529 1.00 0.62 C ATOM 1507 O VAL A 103 -3.636 -10.504 5.383 1.00 0.68 O ATOM 1508 CB VAL A 103 -3.811 -13.498 4.344 1.00 0.92 C ATOM 1509 CG1 VAL A 103 -4.819 -14.361 3.575 1.00 1.09 C ATOM 1510 CG2 VAL A 103 -2.497 -14.272 4.520 1.00 0.92 C ATOM 0 H VAL A 103 -2.093 -12.932 2.451 1.00 0.62 H new ATOM 0 HA VAL A 103 -4.622 -11.773 3.399 1.00 0.72 H new ATOM 0 HB VAL A 103 -4.187 -13.276 5.343 1.00 0.92 H new ATOM 0 HG11 VAL A 103 -4.945 -15.316 4.086 1.00 1.09 H new ATOM 0 HG12 VAL A 103 -5.778 -13.846 3.528 1.00 1.09 H new ATOM 0 HG13 VAL A 103 -4.451 -14.536 2.564 1.00 1.09 H new ATOM 0 HG21 VAL A 103 -2.696 -15.216 5.028 1.00 0.92 H new ATOM 0 HG22 VAL A 103 -2.058 -14.471 3.542 1.00 0.92 H new ATOM 0 HG23 VAL A 103 -1.802 -13.679 5.115 1.00 0.92 H new ATOM 1520 N ARG A 104 -1.680 -10.867 4.318 1.00 0.72 N ATOM 1521 CA ARG A 104 -0.940 -9.784 4.943 1.00 0.60 C ATOM 1522 C ARG A 104 -0.917 -8.588 3.999 1.00 0.50 C ATOM 1523 O ARG A 104 -0.915 -8.756 2.776 1.00 0.58 O ATOM 1524 CB ARG A 104 0.515 -10.190 5.180 1.00 0.68 C ATOM 1525 CG ARG A 104 0.694 -11.501 5.942 1.00 1.04 C ATOM 1526 CD ARG A 104 2.146 -11.691 6.410 1.00 2.15 C ATOM 1527 NE ARG A 104 2.329 -13.039 6.955 1.00 2.22 N ATOM 1528 CZ ARG A 104 1.929 -13.418 8.173 1.00 2.74 C ATOM 1529 NH1 ARG A 104 1.764 -12.505 9.128 1.00 3.44 N ATOM 1530 NH2 ARG A 104 1.683 -14.706 8.390 1.00 3.66 N ATOM 0 H ARG A 104 -1.110 -11.441 3.696 1.00 0.72 H new ATOM 0 HA ARG A 104 -1.424 -9.545 5.890 1.00 0.60 H new ATOM 0 HB2 ARG A 104 1.016 -10.274 4.216 1.00 0.68 H new ATOM 0 HB3 ARG A 104 1.015 -9.394 5.731 1.00 0.68 H new ATOM 0 HG2 ARG A 104 0.028 -11.514 6.805 1.00 1.04 H new ATOM 0 HG3 ARG A 104 0.405 -12.336 5.304 1.00 1.04 H new ATOM 0 HD2 ARG A 104 2.829 -11.532 5.575 1.00 2.15 H new ATOM 0 HD3 ARG A 104 2.392 -10.948 7.168 1.00 2.15 H new ATOM 0 HE ARG A 104 2.791 -13.733 6.367 1.00 2.22 H new ATOM 0 HH11 ARG A 104 1.943 -11.521 8.929 1.00 3.44 H new ATOM 0 HH12 ARG A 104 1.459 -12.790 10.059 1.00 3.44 H new ATOM 0 HH21 ARG A 104 1.801 -15.382 7.635 1.00 3.66 H new ATOM 0 HH22 ARG A 104 1.377 -15.019 9.311 1.00 3.66 H new ATOM 1544 N LEU A 105 -0.786 -7.398 4.572 1.00 0.47 N ATOM 1545 CA LEU A 105 -0.407 -6.179 3.886 1.00 0.45 C ATOM 1546 C LEU A 105 0.358 -5.351 4.903 1.00 0.49 C ATOM 1547 O LEU A 105 0.015 -5.355 6.084 1.00 0.74 O ATOM 1548 CB LEU A 105 -1.678 -5.456 3.419 1.00 0.52 C ATOM 1549 CG LEU A 105 -1.494 -3.997 2.968 1.00 0.70 C ATOM 1550 CD1 LEU A 105 -0.617 -3.889 1.722 1.00 1.91 C ATOM 1551 CD2 LEU A 105 -2.863 -3.384 2.661 1.00 1.77 C ATOM 0 H LEU A 105 -0.949 -7.255 5.569 1.00 0.47 H new ATOM 0 HA LEU A 105 0.208 -6.363 3.005 1.00 0.45 H new ATOM 0 HB2 LEU A 105 -2.110 -6.020 2.592 1.00 0.52 H new ATOM 0 HB3 LEU A 105 -2.404 -5.476 4.232 1.00 0.52 H new ATOM 0 HG LEU A 105 -1.001 -3.461 3.779 1.00 0.70 H new ATOM 0 HD11 LEU A 105 -0.514 -2.841 1.439 1.00 1.91 H new ATOM 0 HD12 LEU A 105 0.368 -4.306 1.933 1.00 1.91 H new ATOM 0 HD13 LEU A 105 -1.078 -4.442 0.904 1.00 1.91 H new ATOM 0 HD21 LEU A 105 -2.735 -2.350 2.341 1.00 1.77 H new ATOM 0 HD22 LEU A 105 -3.346 -3.952 1.866 1.00 1.77 H new ATOM 0 HD23 LEU A 105 -3.484 -3.413 3.557 1.00 1.77 H new ATOM 1563 N GLY A 106 1.387 -4.636 4.471 1.00 0.47 N ATOM 1564 CA GLY A 106 2.025 -3.652 5.316 1.00 0.43 C ATOM 1565 C GLY A 106 2.647 -2.603 4.417 1.00 0.40 C ATOM 1566 O GLY A 106 3.231 -2.945 3.389 1.00 0.46 O ATOM 0 H GLY A 106 1.794 -4.723 3.540 1.00 0.47 H new ATOM 0 HA2 GLY A 106 1.298 -3.196 5.988 1.00 0.43 H new ATOM 0 HA3 GLY A 106 2.786 -4.120 5.940 1.00 0.43 H new ATOM 1570 N CYS A 107 2.468 -1.329 4.759 1.00 0.45 N ATOM 1571 CA CYS A 107 2.822 -0.216 3.894 1.00 0.43 C ATOM 1572 C CYS A 107 3.673 0.770 4.661 1.00 0.43 C ATOM 1573 O CYS A 107 3.711 0.735 5.891 1.00 0.55 O ATOM 1574 CB CYS A 107 1.560 0.469 3.365 1.00 0.54 C ATOM 1575 SG CYS A 107 0.343 -0.623 2.598 1.00 1.12 S ATOM 0 H CYS A 107 2.069 -1.042 5.653 1.00 0.45 H new ATOM 0 HA CYS A 107 3.390 -0.592 3.043 1.00 0.43 H new ATOM 0 HB2 CYS A 107 1.081 0.995 4.191 1.00 0.54 H new ATOM 0 HB3 CYS A 107 1.856 1.223 2.636 1.00 0.54 H new ATOM 1580 N GLY A 108 4.370 1.639 3.936 1.00 0.44 N ATOM 1581 CA GLY A 108 5.373 2.516 4.488 1.00 0.54 C ATOM 1582 C GLY A 108 5.516 3.712 3.568 1.00 0.76 C ATOM 1583 O GLY A 108 5.518 3.573 2.343 1.00 1.73 O ATOM 0 H GLY A 108 4.244 1.748 2.930 1.00 0.44 H new ATOM 0 HA2 GLY A 108 5.086 2.839 5.489 1.00 0.54 H new ATOM 0 HA3 GLY A 108 6.325 1.993 4.582 1.00 0.54 H new ATOM 1587 N ARG A 109 5.582 4.891 4.172 1.00 0.57 N ATOM 1588 CA ARG A 109 5.768 6.163 3.506 1.00 0.54 C ATOM 1589 C ARG A 109 7.246 6.536 3.650 1.00 0.74 C ATOM 1590 O ARG A 109 7.928 6.062 4.560 1.00 1.53 O ATOM 1591 CB ARG A 109 4.900 7.213 4.226 1.00 0.88 C ATOM 1592 CG ARG A 109 3.830 7.934 3.389 1.00 0.71 C ATOM 1593 CD ARG A 109 3.406 9.150 4.227 1.00 1.16 C ATOM 1594 NE ARG A 109 2.149 9.837 3.900 1.00 1.25 N ATOM 1595 CZ ARG A 109 1.869 10.575 2.822 1.00 2.61 C ATOM 1596 NH1 ARG A 109 2.563 10.423 1.697 1.00 4.32 N ATOM 1597 NH2 ARG A 109 0.877 11.461 2.869 1.00 3.19 N ATOM 0 H ARG A 109 5.503 4.986 5.185 1.00 0.57 H new ATOM 0 HA ARG A 109 5.486 6.115 2.454 1.00 0.54 H new ATOM 0 HB2 ARG A 109 4.401 6.723 5.062 1.00 0.88 H new ATOM 0 HB3 ARG A 109 5.564 7.968 4.648 1.00 0.88 H new ATOM 0 HG2 ARG A 109 4.229 8.243 2.423 1.00 0.71 H new ATOM 0 HG3 ARG A 109 2.981 7.280 3.189 1.00 0.71 H new ATOM 0 HD2 ARG A 109 3.344 8.828 5.266 1.00 1.16 H new ATOM 0 HD3 ARG A 109 4.208 9.886 4.168 1.00 1.16 H new ATOM 0 HE ARG A 109 1.396 9.738 4.581 1.00 1.25 H new ATOM 0 HH11 ARG A 109 3.317 9.738 1.652 1.00 4.32 H new ATOM 0 HH12 ARG A 109 2.341 10.992 0.880 1.00 4.32 H new ATOM 0 HH21 ARG A 109 0.334 11.574 3.725 1.00 3.19 H new ATOM 0 HH22 ARG A 109 0.659 12.027 2.049 1.00 3.19 H new ATOM 1611 N ALA A 110 7.720 7.451 2.818 1.00 0.46 N ATOM 1612 CA ALA A 110 8.919 8.245 3.051 1.00 0.50 C ATOM 1613 C ALA A 110 8.827 9.408 2.074 1.00 0.49 C ATOM 1614 O ALA A 110 8.007 9.348 1.159 1.00 0.69 O ATOM 1615 CB ALA A 110 10.187 7.417 2.842 1.00 0.60 C ATOM 0 H ALA A 110 7.266 7.669 1.931 1.00 0.46 H new ATOM 0 HA ALA A 110 8.978 8.599 4.080 1.00 0.50 H new ATOM 0 HB1 ALA A 110 11.063 8.040 3.024 1.00 0.60 H new ATOM 0 HB2 ALA A 110 10.190 6.575 3.535 1.00 0.60 H new ATOM 0 HB3 ALA A 110 10.213 7.044 1.818 1.00 0.60 H new ATOM 1621 N ARG A 111 9.588 10.479 2.266 1.00 0.61 N ATOM 1622 CA ARG A 111 9.622 11.574 1.314 1.00 0.65 C ATOM 1623 C ARG A 111 10.936 11.511 0.544 1.00 0.70 C ATOM 1624 O ARG A 111 12.004 11.419 1.152 1.00 0.88 O ATOM 1625 CB ARG A 111 9.384 12.923 2.004 1.00 0.81 C ATOM 1626 CG ARG A 111 8.817 13.902 0.967 1.00 1.06 C ATOM 1627 CD ARG A 111 8.738 15.340 1.470 1.00 1.36 C ATOM 1628 NE ARG A 111 7.795 15.518 2.588 1.00 2.57 N ATOM 1629 CZ ARG A 111 7.216 16.692 2.891 1.00 3.42 C ATOM 1630 NH1 ARG A 111 7.482 17.768 2.161 1.00 3.27 N ATOM 1631 NH2 ARG A 111 6.410 16.799 3.943 1.00 5.26 N ATOM 0 H ARG A 111 10.191 10.609 3.078 1.00 0.61 H new ATOM 0 HA ARG A 111 8.807 11.474 0.597 1.00 0.65 H new ATOM 0 HB2 ARG A 111 8.689 12.807 2.836 1.00 0.81 H new ATOM 0 HB3 ARG A 111 10.316 13.307 2.419 1.00 0.81 H new ATOM 0 HG2 ARG A 111 9.439 13.872 0.072 1.00 1.06 H new ATOM 0 HG3 ARG A 111 7.820 13.572 0.674 1.00 1.06 H new ATOM 0 HD2 ARG A 111 9.730 15.661 1.787 1.00 1.36 H new ATOM 0 HD3 ARG A 111 8.440 15.989 0.647 1.00 1.36 H new ATOM 0 HE ARG A 111 7.570 14.706 3.163 1.00 2.57 H new ATOM 0 HH11 ARG A 111 8.125 17.703 1.372 1.00 3.27 H new ATOM 0 HH12 ARG A 111 7.044 18.660 2.389 1.00 3.27 H new ATOM 0 HH21 ARG A 111 6.226 15.985 4.529 1.00 5.26 H new ATOM 0 HH22 ARG A 111 5.976 17.695 4.164 1.00 5.26 H new ATOM 1645 N CYS A 112 10.842 11.551 -0.782 1.00 0.86 N ATOM 1646 CA CYS A 112 11.983 11.685 -1.667 1.00 0.96 C ATOM 1647 C CYS A 112 12.604 13.048 -1.398 1.00 0.98 C ATOM 1648 O CYS A 112 11.882 14.015 -1.146 1.00 1.20 O ATOM 1649 CB CYS A 112 11.561 11.657 -3.142 1.00 1.63 C ATOM 1650 SG CYS A 112 10.399 10.414 -3.729 1.00 2.45 S ATOM 0 H CYS A 112 9.952 11.490 -1.276 1.00 0.86 H new ATOM 0 HA CYS A 112 12.671 10.859 -1.484 1.00 0.96 H new ATOM 0 HB2 CYS A 112 11.135 12.633 -3.375 1.00 1.63 H new ATOM 0 HB3 CYS A 112 12.469 11.556 -3.736 1.00 1.63 H new ATOM 1655 N ASN A 113 13.924 13.175 -1.500 1.00 1.23 N ATOM 1656 CA ASN A 113 14.561 14.472 -1.275 1.00 1.93 C ATOM 1657 C ASN A 113 14.125 15.532 -2.296 1.00 2.46 C ATOM 1658 O ASN A 113 14.259 16.725 -2.024 1.00 3.19 O ATOM 1659 CB ASN A 113 16.091 14.347 -1.147 1.00 2.31 C ATOM 1660 CG ASN A 113 16.538 14.225 0.312 1.00 3.48 C ATOM 1661 OD1 ASN A 113 15.756 13.882 1.200 1.00 4.58 O ATOM 1662 ND2 ASN A 113 17.796 14.510 0.603 1.00 4.01 N ATOM 0 H ASN A 113 14.563 12.415 -1.732 1.00 1.23 H new ATOM 0 HA ASN A 113 14.203 14.835 -0.312 1.00 1.93 H new ATOM 0 HB2 ASN A 113 16.431 13.474 -1.704 1.00 2.31 H new ATOM 0 HB3 ASN A 113 16.565 15.218 -1.599 1.00 2.31 H new ATOM 0 HD21 ASN A 113 18.124 14.446 1.567 1.00 4.01 H new ATOM 0 HD22 ASN A 113 18.439 14.793 -0.136 1.00 4.01 H new ATOM 1669 N ASN A 114 13.543 15.146 -3.437 1.00 2.45 N ATOM 1670 CA ASN A 114 12.913 16.082 -4.376 1.00 3.14 C ATOM 1671 C ASN A 114 11.465 16.407 -3.996 1.00 3.86 C ATOM 1672 O ASN A 114 10.720 16.911 -4.831 1.00 4.18 O ATOM 1673 CB ASN A 114 12.960 15.563 -5.819 1.00 3.05 C ATOM 1674 CG ASN A 114 12.181 14.271 -5.962 1.00 3.16 C ATOM 1675 OD1 ASN A 114 12.546 13.274 -5.358 1.00 3.24 O ATOM 1676 ND2 ASN A 114 11.107 14.244 -6.732 1.00 4.01 N ATOM 0 H ASN A 114 13.495 14.172 -3.736 1.00 2.45 H new ATOM 0 HA ASN A 114 13.497 17.000 -4.313 1.00 3.14 H new ATOM 0 HB2 ASN A 114 12.549 16.315 -6.492 1.00 3.05 H new ATOM 0 HB3 ASN A 114 13.996 15.401 -6.116 1.00 3.05 H new ATOM 0 HD21 ASN A 114 10.570 13.382 -6.828 1.00 4.01 H new ATOM 0 HD22 ASN A 114 10.815 15.085 -7.230 1.00 4.01 H new ATOM 1683 N GLY A 115 11.040 16.184 -2.752 1.00 4.30 N ATOM 1684 CA GLY A 115 9.796 16.761 -2.249 1.00 5.24 C ATOM 1685 C GLY A 115 8.574 15.882 -2.513 1.00 3.85 C ATOM 1686 O GLY A 115 7.579 15.993 -1.793 1.00 4.42 O ATOM 0 H GLY A 115 11.540 15.608 -2.075 1.00 4.30 H new ATOM 0 HA2 GLY A 115 9.889 16.930 -1.176 1.00 5.24 H new ATOM 0 HA3 GLY A 115 9.642 17.735 -2.713 1.00 5.24 H new ATOM 1690 N TRP A 116 8.656 14.986 -3.496 1.00 2.16 N ATOM 1691 CA TRP A 116 7.643 13.980 -3.765 1.00 1.13 C ATOM 1692 C TRP A 116 7.564 13.045 -2.563 1.00 0.91 C ATOM 1693 O TRP A 116 8.586 12.727 -1.960 1.00 1.11 O ATOM 1694 CB TRP A 116 8.099 13.163 -4.981 1.00 1.24 C ATOM 1695 CG TRP A 116 7.998 13.820 -6.321 1.00 1.46 C ATOM 1696 CD1 TRP A 116 7.583 15.082 -6.564 1.00 2.02 C ATOM 1697 CD2 TRP A 116 8.309 13.255 -7.629 1.00 1.67 C ATOM 1698 NE1 TRP A 116 7.461 15.267 -7.919 1.00 2.45 N ATOM 1699 CE2 TRP A 116 7.887 14.173 -8.629 1.00 2.17 C ATOM 1700 CE3 TRP A 116 8.949 12.080 -8.071 1.00 2.00 C ATOM 1701 CZ2 TRP A 116 7.988 13.897 -9.996 1.00 2.56 C ATOM 1702 CZ3 TRP A 116 9.104 11.815 -9.446 1.00 2.41 C ATOM 1703 CH2 TRP A 116 8.578 12.695 -10.407 1.00 2.54 C ATOM 0 H TRP A 116 9.447 14.943 -4.138 1.00 2.16 H new ATOM 0 HA TRP A 116 6.675 14.445 -3.951 1.00 1.13 H new ATOM 0 HB2 TRP A 116 9.138 12.874 -4.824 1.00 1.24 H new ATOM 0 HB3 TRP A 116 7.513 12.244 -5.010 1.00 1.24 H new ATOM 0 HD1 TRP A 116 7.379 15.829 -5.811 1.00 2.02 H new ATOM 0 HE1 TRP A 116 7.096 16.118 -8.347 1.00 2.45 H new ATOM 0 HE3 TRP A 116 9.326 11.373 -7.346 1.00 2.00 H new ATOM 0 HZ2 TRP A 116 7.616 14.601 -10.725 1.00 2.56 H new ATOM 0 HZ3 TRP A 116 9.632 10.928 -9.764 1.00 2.41 H new ATOM 0 HH2 TRP A 116 8.628 12.446 -11.457 1.00 2.54 H new ATOM 1714 N TRP A 117 6.375 12.536 -2.254 1.00 0.74 N ATOM 1715 CA TRP A 117 6.279 11.419 -1.328 1.00 0.74 C ATOM 1716 C TRP A 117 6.514 10.144 -2.118 1.00 0.93 C ATOM 1717 O TRP A 117 6.162 10.090 -3.295 1.00 1.54 O ATOM 1718 CB TRP A 117 4.918 11.380 -0.635 1.00 0.80 C ATOM 1719 CG TRP A 117 4.742 12.424 0.415 1.00 0.84 C ATOM 1720 CD1 TRP A 117 4.203 13.640 0.209 1.00 1.10 C ATOM 1721 CD2 TRP A 117 5.154 12.400 1.814 1.00 0.79 C ATOM 1722 NE1 TRP A 117 4.209 14.353 1.387 1.00 1.21 N ATOM 1723 CE2 TRP A 117 4.766 13.631 2.420 1.00 1.05 C ATOM 1724 CE3 TRP A 117 5.810 11.461 2.636 1.00 0.68 C ATOM 1725 CZ2 TRP A 117 4.987 13.901 3.778 1.00 1.19 C ATOM 1726 CZ3 TRP A 117 6.098 11.747 3.983 1.00 0.83 C ATOM 1727 CH2 TRP A 117 5.670 12.955 4.559 1.00 1.07 C ATOM 0 H TRP A 117 5.485 12.871 -2.623 1.00 0.74 H new ATOM 0 HA TRP A 117 7.027 11.527 -0.543 1.00 0.74 H new ATOM 0 HB2 TRP A 117 4.136 11.498 -1.385 1.00 0.80 H new ATOM 0 HB3 TRP A 117 4.780 10.398 -0.183 1.00 0.80 H new ATOM 0 HD1 TRP A 117 3.824 14.001 -0.736 1.00 1.10 H new ATOM 0 HE1 TRP A 117 3.845 15.301 1.483 1.00 1.21 H new ATOM 0 HE3 TRP A 117 6.097 10.505 2.224 1.00 0.68 H new ATOM 0 HZ2 TRP A 117 4.637 14.824 4.217 1.00 1.19 H new ATOM 0 HZ3 TRP A 117 6.651 11.035 4.577 1.00 0.83 H new ATOM 0 HH2 TRP A 117 5.866 13.156 5.602 1.00 1.07 H new ATOM 1738 N PHE A 118 7.057 9.135 -1.449 1.00 0.54 N ATOM 1739 CA PHE A 118 7.089 7.740 -1.839 1.00 0.48 C ATOM 1740 C PHE A 118 6.140 7.021 -0.890 1.00 0.46 C ATOM 1741 O PHE A 118 6.131 7.311 0.309 1.00 0.92 O ATOM 1742 CB PHE A 118 8.506 7.194 -1.651 1.00 0.56 C ATOM 1743 CG PHE A 118 8.798 5.861 -2.320 1.00 0.70 C ATOM 1744 CD1 PHE A 118 9.296 5.830 -3.636 1.00 1.57 C ATOM 1745 CD2 PHE A 118 8.757 4.671 -1.568 1.00 2.31 C ATOM 1746 CE1 PHE A 118 9.803 4.637 -4.177 1.00 1.55 C ATOM 1747 CE2 PHE A 118 9.290 3.482 -2.099 1.00 2.49 C ATOM 1748 CZ PHE A 118 9.816 3.465 -3.402 1.00 1.12 C ATOM 0 H PHE A 118 7.520 9.287 -0.553 1.00 0.54 H new ATOM 0 HA PHE A 118 6.801 7.603 -2.881 1.00 0.48 H new ATOM 0 HB2 PHE A 118 9.212 7.932 -2.031 1.00 0.56 H new ATOM 0 HB3 PHE A 118 8.696 7.092 -0.583 1.00 0.56 H new ATOM 0 HD1 PHE A 118 9.288 6.729 -4.234 1.00 1.57 H new ATOM 0 HD2 PHE A 118 8.316 4.671 -0.582 1.00 2.31 H new ATOM 0 HE1 PHE A 118 10.183 4.621 -5.188 1.00 1.55 H new ATOM 0 HE2 PHE A 118 9.295 2.581 -1.504 1.00 2.49 H new ATOM 0 HZ PHE A 118 10.229 2.553 -3.807 1.00 1.12 H new ATOM 1758 N ILE A 119 5.341 6.102 -1.412 1.00 0.36 N ATOM 1759 CA ILE A 119 4.524 5.185 -0.646 1.00 0.36 C ATOM 1760 C ILE A 119 4.804 3.802 -1.219 1.00 0.38 C ATOM 1761 O ILE A 119 4.867 3.637 -2.437 1.00 0.40 O ATOM 1762 CB ILE A 119 3.041 5.606 -0.715 1.00 0.45 C ATOM 1763 CG1 ILE A 119 2.756 6.626 0.398 1.00 0.52 C ATOM 1764 CG2 ILE A 119 2.104 4.398 -0.586 1.00 0.54 C ATOM 1765 CD1 ILE A 119 1.705 7.666 0.012 1.00 0.85 C ATOM 0 H ILE A 119 5.244 5.973 -2.419 1.00 0.36 H new ATOM 0 HA ILE A 119 4.762 5.187 0.418 1.00 0.36 H new ATOM 0 HB ILE A 119 2.853 6.058 -1.689 1.00 0.45 H new ATOM 0 HG12 ILE A 119 2.422 6.096 1.290 1.00 0.52 H new ATOM 0 HG13 ILE A 119 3.683 7.136 0.659 1.00 0.52 H new ATOM 0 HG21 ILE A 119 1.068 4.734 -0.639 1.00 0.54 H new ATOM 0 HG22 ILE A 119 2.300 3.697 -1.397 1.00 0.54 H new ATOM 0 HG23 ILE A 119 2.277 3.904 0.370 1.00 0.54 H new ATOM 0 HD11 ILE A 119 1.552 8.355 0.843 1.00 0.85 H new ATOM 0 HD12 ILE A 119 2.046 8.221 -0.862 1.00 0.85 H new ATOM 0 HD13 ILE A 119 0.766 7.165 -0.221 1.00 0.85 H new ATOM 1777 N SER A 120 4.980 2.821 -0.343 1.00 0.59 N ATOM 1778 CA SER A 120 5.193 1.434 -0.692 1.00 0.59 C ATOM 1779 C SER A 120 4.174 0.603 0.071 1.00 0.57 C ATOM 1780 O SER A 120 3.827 0.967 1.195 1.00 0.64 O ATOM 1781 CB SER A 120 6.628 1.049 -0.317 1.00 0.65 C ATOM 1782 OG SER A 120 6.947 1.443 1.007 1.00 2.08 O ATOM 0 H SER A 120 4.977 2.982 0.664 1.00 0.59 H new ATOM 0 HA SER A 120 5.064 1.260 -1.760 1.00 0.59 H new ATOM 0 HB2 SER A 120 6.753 -0.029 -0.416 1.00 0.65 H new ATOM 0 HB3 SER A 120 7.324 1.516 -1.014 1.00 0.65 H new ATOM 0 HG SER A 120 7.804 1.047 1.269 1.00 2.08 H new ATOM 1788 N CYS A 121 3.698 -0.486 -0.527 1.00 0.58 N ATOM 1789 CA CYS A 121 2.919 -1.506 0.158 1.00 0.58 C ATOM 1790 C CYS A 121 3.503 -2.843 -0.254 1.00 0.49 C ATOM 1791 O CYS A 121 3.583 -3.108 -1.451 1.00 0.65 O ATOM 1792 CB CYS A 121 1.444 -1.436 -0.231 1.00 0.79 C ATOM 1793 SG CYS A 121 0.433 -0.174 0.569 1.00 1.51 S ATOM 0 H CYS A 121 3.847 -0.685 -1.516 1.00 0.58 H new ATOM 0 HA CYS A 121 2.968 -1.360 1.237 1.00 0.58 H new ATOM 0 HB2 CYS A 121 1.387 -1.280 -1.308 1.00 0.79 H new ATOM 0 HB3 CYS A 121 0.995 -2.408 -0.025 1.00 0.79 H new ATOM 1798 N ASN A 122 3.938 -3.649 0.714 1.00 0.42 N ATOM 1799 CA ASN A 122 4.363 -5.032 0.529 1.00 0.42 C ATOM 1800 C ASN A 122 3.186 -5.918 0.931 1.00 0.42 C ATOM 1801 O ASN A 122 2.388 -5.532 1.787 1.00 0.46 O ATOM 1802 CB ASN A 122 5.593 -5.356 1.394 1.00 0.56 C ATOM 1803 CG ASN A 122 6.917 -5.162 0.658 1.00 1.07 C ATOM 1804 OD1 ASN A 122 7.427 -4.051 0.534 1.00 2.74 O ATOM 1805 ND2 ASN A 122 7.523 -6.234 0.166 1.00 1.16 N ATOM 0 H ASN A 122 4.006 -3.343 1.685 1.00 0.42 H new ATOM 0 HA ASN A 122 4.649 -5.203 -0.509 1.00 0.42 H new ATOM 0 HB2 ASN A 122 5.582 -4.722 2.281 1.00 0.56 H new ATOM 0 HB3 ASN A 122 5.525 -6.388 1.739 1.00 0.56 H new ATOM 0 HD21 ASN A 122 8.416 -6.138 -0.318 1.00 1.16 H new ATOM 0 HD22 ASN A 122 7.096 -7.154 0.271 1.00 1.16 H new ATOM 1812 N TYR A 123 3.064 -7.083 0.296 1.00 0.44 N ATOM 1813 CA TYR A 123 1.954 -8.019 0.438 1.00 0.46 C ATOM 1814 C TYR A 123 2.547 -9.415 0.582 1.00 0.53 C ATOM 1815 O TYR A 123 3.645 -9.650 0.072 1.00 0.60 O ATOM 1816 CB TYR A 123 1.078 -7.980 -0.818 1.00 0.43 C ATOM 1817 CG TYR A 123 0.383 -6.661 -1.074 1.00 0.44 C ATOM 1818 CD1 TYR A 123 1.127 -5.564 -1.540 1.00 1.72 C ATOM 1819 CD2 TYR A 123 -1.020 -6.575 -1.017 1.00 2.04 C ATOM 1820 CE1 TYR A 123 0.490 -4.350 -1.815 1.00 1.70 C ATOM 1821 CE2 TYR A 123 -1.663 -5.370 -1.344 1.00 2.07 C ATOM 1822 CZ TYR A 123 -0.901 -4.244 -1.697 1.00 0.53 C ATOM 1823 OH TYR A 123 -1.495 -3.039 -1.909 1.00 0.70 O ATOM 0 H TYR A 123 3.770 -7.413 -0.362 1.00 0.44 H new ATOM 0 HA TYR A 123 1.346 -7.757 1.304 1.00 0.46 H new ATOM 0 HB2 TYR A 123 1.698 -8.220 -1.682 1.00 0.43 H new ATOM 0 HB3 TYR A 123 0.323 -8.762 -0.740 1.00 0.43 H new ATOM 0 HD1 TYR A 123 2.193 -5.659 -1.686 1.00 1.72 H new ATOM 0 HD2 TYR A 123 -1.602 -7.435 -0.722 1.00 2.04 H new ATOM 0 HE1 TYR A 123 1.072 -3.493 -2.119 1.00 1.70 H new ATOM 0 HE2 TYR A 123 -2.741 -5.309 -1.324 1.00 2.07 H new ATOM 0 HH TYR A 123 -2.155 -2.871 -1.205 1.00 0.70 H new ATOM 1833 N ASP A 124 1.858 -10.322 1.271 1.00 0.61 N ATOM 1834 CA ASP A 124 2.334 -11.681 1.487 1.00 0.65 C ATOM 1835 C ASP A 124 1.129 -12.621 1.608 1.00 0.62 C ATOM 1836 O ASP A 124 0.176 -12.269 2.318 1.00 0.64 O ATOM 1837 CB ASP A 124 3.154 -11.710 2.773 1.00 0.83 C ATOM 1838 CG ASP A 124 3.896 -12.999 2.995 1.00 1.09 C ATOM 1839 OD1 ASP A 124 3.258 -14.057 3.140 1.00 2.11 O ATOM 1840 OD2 ASP A 124 5.141 -12.933 3.058 1.00 1.95 O ATOM 0 H ASP A 124 0.950 -10.131 1.696 1.00 0.61 H new ATOM 0 HA ASP A 124 2.955 -12.006 0.652 1.00 0.65 H new ATOM 0 HB2 ASP A 124 3.870 -10.889 2.754 1.00 0.83 H new ATOM 0 HB3 ASP A 124 2.490 -11.534 3.619 1.00 0.83 H new ATOM 1845 N PRO A 125 1.128 -13.795 0.962 1.00 0.68 N ATOM 1846 CA PRO A 125 2.089 -14.220 -0.046 1.00 0.76 C ATOM 1847 C PRO A 125 2.083 -13.300 -1.277 1.00 0.77 C ATOM 1848 O PRO A 125 1.282 -12.367 -1.362 1.00 0.75 O ATOM 1849 CB PRO A 125 1.741 -15.674 -0.375 1.00 0.84 C ATOM 1850 CG PRO A 125 0.356 -15.922 0.212 1.00 0.93 C ATOM 1851 CD PRO A 125 0.185 -14.849 1.282 1.00 0.74 C ATOM 0 HA PRO A 125 3.112 -14.152 0.325 1.00 0.76 H new ATOM 0 HB2 PRO A 125 1.743 -15.841 -1.452 1.00 0.84 H new ATOM 0 HB3 PRO A 125 2.474 -16.357 0.055 1.00 0.84 H new ATOM 0 HG2 PRO A 125 -0.417 -15.844 -0.553 1.00 0.93 H new ATOM 0 HG3 PRO A 125 0.281 -16.922 0.640 1.00 0.93 H new ATOM 0 HD2 PRO A 125 -0.836 -14.467 1.289 1.00 0.74 H new ATOM 0 HD3 PRO A 125 0.380 -15.256 2.274 1.00 0.74 H new ATOM 1859 N VAL A 126 3.054 -13.497 -2.173 1.00 0.84 N ATOM 1860 CA VAL A 126 3.389 -12.515 -3.200 1.00 0.78 C ATOM 1861 C VAL A 126 2.331 -12.393 -4.306 1.00 0.69 C ATOM 1862 O VAL A 126 1.498 -13.281 -4.499 1.00 0.80 O ATOM 1863 CB VAL A 126 4.831 -12.706 -3.709 1.00 0.93 C ATOM 1864 CG1 VAL A 126 5.827 -12.642 -2.547 1.00 1.20 C ATOM 1865 CG2 VAL A 126 5.033 -14.017 -4.473 1.00 1.03 C ATOM 0 H VAL A 126 3.627 -14.340 -2.204 1.00 0.84 H new ATOM 0 HA VAL A 126 3.366 -11.534 -2.725 1.00 0.78 H new ATOM 0 HB VAL A 126 5.013 -11.889 -4.407 1.00 0.93 H new ATOM 0 HG11 VAL A 126 6.839 -12.779 -2.927 1.00 1.20 H new ATOM 0 HG12 VAL A 126 5.752 -11.671 -2.057 1.00 1.20 H new ATOM 0 HG13 VAL A 126 5.599 -13.430 -1.829 1.00 1.20 H new ATOM 0 HG21 VAL A 126 6.069 -14.089 -4.804 1.00 1.03 H new ATOM 0 HG22 VAL A 126 4.801 -14.858 -3.820 1.00 1.03 H new ATOM 0 HG23 VAL A 126 4.373 -14.038 -5.340 1.00 1.03 H new ATOM 1875 N GLY A 127 2.348 -11.259 -5.018 1.00 0.76 N ATOM 1876 CA GLY A 127 1.221 -10.752 -5.787 1.00 0.79 C ATOM 1877 C GLY A 127 1.543 -10.630 -7.271 1.00 0.79 C ATOM 1878 O GLY A 127 2.645 -10.241 -7.641 1.00 1.00 O ATOM 0 H GLY A 127 3.171 -10.658 -5.072 1.00 0.76 H new ATOM 0 HA2 GLY A 127 0.366 -11.416 -5.656 1.00 0.79 H new ATOM 0 HA3 GLY A 127 0.929 -9.776 -5.399 1.00 0.79 H new ATOM 1882 N ASN A 128 0.578 -10.930 -8.144 1.00 0.91 N ATOM 1883 CA ASN A 128 0.793 -11.009 -9.593 1.00 1.23 C ATOM 1884 C ASN A 128 1.945 -11.959 -9.911 1.00 1.26 C ATOM 1885 O ASN A 128 2.667 -11.795 -10.891 1.00 1.51 O ATOM 1886 CB ASN A 128 0.967 -9.614 -10.223 1.00 1.51 C ATOM 1887 CG ASN A 128 -0.347 -8.996 -10.686 1.00 1.92 C ATOM 1888 OD1 ASN A 128 -1.288 -9.689 -11.071 1.00 2.62 O ATOM 1889 ND2 ASN A 128 -0.419 -7.670 -10.696 1.00 2.13 N ATOM 0 H ASN A 128 -0.383 -11.127 -7.864 1.00 0.91 H new ATOM 0 HA ASN A 128 -0.102 -11.428 -10.053 1.00 1.23 H new ATOM 0 HB2 ASN A 128 1.437 -8.951 -9.497 1.00 1.51 H new ATOM 0 HB3 ASN A 128 1.645 -9.688 -11.073 1.00 1.51 H new ATOM 0 HD21 ASN A 128 -1.266 -7.208 -11.027 1.00 2.13 H new ATOM 0 HD22 ASN A 128 0.372 -7.114 -10.373 1.00 2.13 H new ATOM 1896 N TRP A 129 2.103 -12.973 -9.070 1.00 1.15 N ATOM 1897 CA TRP A 129 3.086 -14.020 -9.213 1.00 1.28 C ATOM 1898 C TRP A 129 2.360 -15.177 -9.892 1.00 1.52 C ATOM 1899 O TRP A 129 1.277 -15.562 -9.445 1.00 1.93 O ATOM 1900 CB TRP A 129 3.620 -14.318 -7.806 1.00 1.15 C ATOM 1901 CG TRP A 129 3.803 -15.735 -7.372 1.00 1.29 C ATOM 1902 CD1 TRP A 129 2.828 -16.531 -6.882 1.00 1.38 C ATOM 1903 CD2 TRP A 129 5.044 -16.480 -7.218 1.00 1.47 C ATOM 1904 NE1 TRP A 129 3.376 -17.712 -6.431 1.00 1.57 N ATOM 1905 CE2 TRP A 129 4.746 -17.723 -6.587 1.00 1.64 C ATOM 1906 CE3 TRP A 129 6.397 -16.220 -7.527 1.00 1.59 C ATOM 1907 CZ2 TRP A 129 5.746 -18.653 -6.269 1.00 1.88 C ATOM 1908 CZ3 TRP A 129 7.404 -17.158 -7.231 1.00 1.84 C ATOM 1909 CH2 TRP A 129 7.080 -18.371 -6.601 1.00 1.96 C ATOM 0 H TRP A 129 1.523 -13.086 -8.239 1.00 1.15 H new ATOM 0 HA TRP A 129 3.954 -13.776 -9.826 1.00 1.28 H new ATOM 0 HB2 TRP A 129 4.585 -13.821 -7.711 1.00 1.15 H new ATOM 0 HB3 TRP A 129 2.945 -13.843 -7.094 1.00 1.15 H new ATOM 0 HD1 TRP A 129 1.778 -16.280 -6.849 1.00 1.38 H new ATOM 0 HE1 TRP A 129 2.837 -18.481 -6.032 1.00 1.57 H new ATOM 0 HE3 TRP A 129 6.664 -15.286 -7.998 1.00 1.59 H new ATOM 0 HZ2 TRP A 129 5.492 -19.578 -5.773 1.00 1.88 H new ATOM 0 HZ3 TRP A 129 8.431 -16.944 -7.489 1.00 1.84 H new ATOM 0 HH2 TRP A 129 7.857 -19.086 -6.372 1.00 1.96 H new ATOM 1920 N ILE A 130 2.899 -15.692 -10.997 1.00 1.53 N ATOM 1921 CA ILE A 130 2.298 -16.837 -11.664 1.00 1.69 C ATOM 1922 C ILE A 130 2.136 -17.982 -10.659 1.00 1.86 C ATOM 1923 O ILE A 130 2.993 -18.177 -9.796 1.00 2.11 O ATOM 1924 CB ILE A 130 3.091 -17.216 -12.937 1.00 1.96 C ATOM 1925 CG1 ILE A 130 2.139 -17.264 -14.144 1.00 2.23 C ATOM 1926 CG2 ILE A 130 3.930 -18.494 -12.787 1.00 2.21 C ATOM 1927 CD1 ILE A 130 2.834 -17.659 -15.451 1.00 2.81 C ATOM 0 H ILE A 130 3.744 -15.335 -11.443 1.00 1.53 H new ATOM 0 HA ILE A 130 1.298 -16.587 -12.019 1.00 1.69 H new ATOM 0 HB ILE A 130 3.831 -16.434 -13.109 1.00 1.96 H new ATOM 0 HG12 ILE A 130 1.338 -17.974 -13.938 1.00 2.23 H new ATOM 0 HG13 ILE A 130 1.674 -16.286 -14.270 1.00 2.23 H new ATOM 0 HG21 ILE A 130 4.457 -18.695 -13.720 1.00 2.21 H new ATOM 0 HG22 ILE A 130 4.654 -18.362 -11.983 1.00 2.21 H new ATOM 0 HG23 ILE A 130 3.276 -19.333 -12.552 1.00 2.21 H new ATOM 0 HD11 ILE A 130 2.105 -17.673 -16.261 1.00 2.81 H new ATOM 0 HD12 ILE A 130 3.617 -16.936 -15.680 1.00 2.81 H new ATOM 0 HD13 ILE A 130 3.276 -18.650 -15.343 1.00 2.81 H new ATOM 1939 N GLY A 131 1.037 -18.723 -10.759 1.00 2.07 N ATOM 1940 CA GLY A 131 0.705 -19.792 -9.836 1.00 2.45 C ATOM 1941 C GLY A 131 -0.662 -19.503 -9.237 1.00 2.08 C ATOM 1942 O GLY A 131 -1.620 -20.228 -9.523 1.00 2.53 O ATOM 0 H GLY A 131 0.344 -18.592 -11.496 1.00 2.07 H new ATOM 0 HA2 GLY A 131 0.697 -20.751 -10.354 1.00 2.45 H new ATOM 0 HA3 GLY A 131 1.457 -19.861 -9.050 1.00 2.45 H new ATOM 1946 N GLN A 132 -0.762 -18.444 -8.431 1.00 1.97 N ATOM 1947 CA GLN A 132 -2.033 -18.001 -7.876 1.00 1.63 C ATOM 1948 C GLN A 132 -2.718 -17.022 -8.841 1.00 1.44 C ATOM 1949 O GLN A 132 -2.177 -16.692 -9.901 1.00 2.19 O ATOM 1950 CB GLN A 132 -1.846 -17.430 -6.464 1.00 1.85 C ATOM 1951 CG GLN A 132 -1.311 -18.478 -5.475 1.00 2.31 C ATOM 1952 CD GLN A 132 0.193 -18.377 -5.262 1.00 2.09 C ATOM 1953 OE1 GLN A 132 0.956 -19.267 -5.633 1.00 3.44 O ATOM 1954 NE2 GLN A 132 0.632 -17.286 -4.650 1.00 1.80 N ATOM 0 H GLN A 132 0.035 -17.874 -8.148 1.00 1.97 H new ATOM 0 HA GLN A 132 -2.699 -18.857 -7.768 1.00 1.63 H new ATOM 0 HB2 GLN A 132 -1.156 -16.587 -6.504 1.00 1.85 H new ATOM 0 HB3 GLN A 132 -2.799 -17.045 -6.101 1.00 1.85 H new ATOM 0 HG2 GLN A 132 -1.817 -18.358 -4.517 1.00 2.31 H new ATOM 0 HG3 GLN A 132 -1.555 -19.475 -5.842 1.00 2.31 H new ATOM 0 HE21 GLN A 132 -0.028 -16.566 -4.355 1.00 1.80 H new ATOM 0 HE22 GLN A 132 1.630 -17.166 -4.474 1.00 1.80 H new ATOM 1963 N ARG A 133 -3.924 -16.576 -8.487 1.00 1.47 N ATOM 1964 CA ARG A 133 -4.751 -15.703 -9.305 1.00 1.32 C ATOM 1965 C ARG A 133 -5.229 -14.514 -8.477 1.00 0.99 C ATOM 1966 O ARG A 133 -5.311 -14.619 -7.255 1.00 1.00 O ATOM 1967 CB ARG A 133 -5.936 -16.494 -9.873 1.00 1.49 C ATOM 1968 CG ARG A 133 -5.480 -17.282 -11.102 1.00 2.30 C ATOM 1969 CD ARG A 133 -6.669 -17.966 -11.783 1.00 2.64 C ATOM 1970 NE ARG A 133 -6.236 -18.628 -13.022 1.00 3.76 N ATOM 1971 CZ ARG A 133 -5.919 -17.994 -14.164 1.00 4.84 C ATOM 1972 NH1 ARG A 133 -6.203 -16.697 -14.321 1.00 5.21 N ATOM 1973 NH2 ARG A 133 -5.321 -18.670 -15.150 1.00 6.20 N ATOM 0 H ARG A 133 -4.360 -16.822 -7.598 1.00 1.47 H new ATOM 0 HA ARG A 133 -4.163 -15.321 -10.140 1.00 1.32 H new ATOM 0 HB2 ARG A 133 -6.329 -17.174 -9.117 1.00 1.49 H new ATOM 0 HB3 ARG A 133 -6.745 -15.815 -10.143 1.00 1.49 H new ATOM 0 HG2 ARG A 133 -4.988 -16.612 -11.807 1.00 2.30 H new ATOM 0 HG3 ARG A 133 -4.744 -18.030 -10.807 1.00 2.30 H new ATOM 0 HD2 ARG A 133 -7.112 -18.698 -11.107 1.00 2.64 H new ATOM 0 HD3 ARG A 133 -7.441 -17.230 -12.007 1.00 2.64 H new ATOM 0 HE ARG A 133 -6.171 -19.646 -13.015 1.00 3.76 H new ATOM 0 HH11 ARG A 133 -6.664 -16.181 -13.571 1.00 5.21 H new ATOM 0 HH12 ARG A 133 -5.959 -16.223 -15.191 1.00 5.21 H new ATOM 0 HH21 ARG A 133 -5.108 -19.661 -15.033 1.00 6.20 H new ATOM 0 HH22 ARG A 133 -5.078 -18.195 -16.019 1.00 6.20 H new ATOM 1987 N PRO A 134 -5.528 -13.381 -9.132 1.00 0.83 N ATOM 1988 CA PRO A 134 -5.911 -12.172 -8.436 1.00 0.65 C ATOM 1989 C PRO A 134 -7.295 -12.330 -7.805 1.00 0.56 C ATOM 1990 O PRO A 134 -7.444 -12.219 -6.594 1.00 0.69 O ATOM 1991 CB PRO A 134 -5.813 -11.055 -9.484 1.00 0.65 C ATOM 1992 CG PRO A 134 -6.007 -11.768 -10.827 1.00 0.80 C ATOM 1993 CD PRO A 134 -5.439 -13.162 -10.571 1.00 0.97 C ATOM 0 HA PRO A 134 -5.263 -11.935 -7.592 1.00 0.65 H new ATOM 0 HB2 PRO A 134 -6.577 -10.294 -9.325 1.00 0.65 H new ATOM 0 HB3 PRO A 134 -4.847 -10.552 -9.438 1.00 0.65 H new ATOM 0 HG2 PRO A 134 -7.058 -11.808 -11.113 1.00 0.80 H new ATOM 0 HG3 PRO A 134 -5.477 -11.260 -11.632 1.00 0.80 H new ATOM 0 HD2 PRO A 134 -6.004 -13.918 -11.115 1.00 0.97 H new ATOM 0 HD3 PRO A 134 -4.406 -13.230 -10.912 1.00 0.97 H new ATOM 2001 N TYR A 135 -8.301 -12.618 -8.620 1.00 0.65 N ATOM 2002 CA TYR A 135 -9.685 -12.839 -8.241 1.00 0.66 C ATOM 2003 C TYR A 135 -10.143 -14.030 -9.090 1.00 0.88 C ATOM 2004 O TYR A 135 -11.136 -13.873 -9.824 1.00 2.02 O ATOM 2005 CB TYR A 135 -10.528 -11.551 -8.408 1.00 0.57 C ATOM 2006 CG TYR A 135 -10.593 -10.933 -9.795 1.00 0.57 C ATOM 2007 CD1 TYR A 135 -9.412 -10.628 -10.484 1.00 1.76 C ATOM 2008 CD2 TYR A 135 -11.822 -10.595 -10.386 1.00 1.82 C ATOM 2009 CE1 TYR A 135 -9.444 -10.334 -11.852 1.00 1.88 C ATOM 2010 CE2 TYR A 135 -11.841 -10.044 -11.681 1.00 1.84 C ATOM 2011 CZ TYR A 135 -10.667 -10.025 -12.450 1.00 0.96 C ATOM 2012 OH TYR A 135 -10.665 -9.673 -13.760 1.00 1.35 O ATOM 2013 OXT TYR A 135 -9.216 -14.815 -9.411 1.00 2.09 O ATOM 0 H TYR A 135 -8.160 -12.709 -9.626 1.00 0.65 H new ATOM 0 HA TYR A 135 -9.811 -13.076 -7.185 1.00 0.66 H new ATOM 0 HB2 TYR A 135 -11.547 -11.772 -8.089 1.00 0.57 H new ATOM 0 HB3 TYR A 135 -10.135 -10.800 -7.723 1.00 0.57 H new ATOM 0 HD1 TYR A 135 -8.470 -10.620 -9.956 1.00 1.76 H new ATOM 0 HD2 TYR A 135 -12.746 -10.757 -9.850 1.00 1.82 H new ATOM 0 HE1 TYR A 135 -8.536 -10.346 -12.436 1.00 1.88 H new ATOM 0 HE2 TYR A 135 -12.757 -9.637 -12.082 1.00 1.84 H new ATOM 0 HH TYR A 135 -11.385 -9.029 -13.927 1.00 1.35 H new TER 2023 TYR A 135