USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1186 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 5 ASN : amide:sc= -3.2! C(o=-2.4!,f=-6.9!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.834 K(o=-2.4,f=-3.2) USER MOD Set 2.1: A 133 TYR OH : rot 110:sc= 0.0267 USER MOD Set 2.2: A 137 HIS : no HE2:sc= 0.663 K(o=0.69,f=-5.5!) USER MOD Set 3.1: A 80 TYR OH : rot 180:sc= 0.247 USER MOD Set 3.2: A 81 GLN : amide:sc= 0.461 K(o=0.71,f=-0.037) USER MOD Set 4.1: A 48 GLN : amide:sc= -4.99! C(o=-5.3!,f=-6.5!) USER MOD Set 4.2: A 157 ASN :FLIP amide:sc= -0.271 F(o=-7.7,f=-5.3) USER MOD Set 5.1: A 23 SER OG : rot -106:sc= 0.109 USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0.193 USER MOD Single : A 3 GLN : amide:sc= -0.086 K(o=-0.086,f=-0.88) USER MOD Single : A 4 SER OG : rot 156:sc= 1.32 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= -0.38! (180deg=-0.464) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.026) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.2) USER MOD Single : A 28 SER OG : rot -48:sc= -1.11 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -167:sc= -1.54! USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0.775 (180deg=0.576) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.426 USER MOD Single : A 66 SER OG : rot 71:sc= 0.0861 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -3.8! C(o=-11!,f=-3.8!) USER MOD Single : A 73 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.16) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.14! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -167:sc= 1.1 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 88 ASN : amide:sc= 0.00965 X(o=0.0097,f=-0.001) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.337 F(o=-3.2!,f=-0.34) USER MOD Single : A 105 SER OG : rot 170:sc= -0.0562 USER MOD Single : A 111 CYS SG : rot 172:sc= -11.3! USER MOD Single : A 114 SER OG : rot 70:sc= 0.844 USER MOD Single : A 117 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0.618) USER MOD Single : A 119 MET CE :methyl -155:sc= -2.76! (180deg=-6.15!) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.34 F(o=-2.1!,f=-1.3) USER MOD Single : A 124 SER OG : rot -91:sc= 1.42 USER MOD Single : A 130 MET CE :methyl 168:sc= -2.74 (180deg=-3) USER MOD Single : A 132 THR OG1 : rot 74:sc= 0.732 USER MOD Single : A 143 GLN : amide:sc= -0.0848 K(o=-0.085,f=-0.69) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.397 F(o=-4.8!,f=-0.4) USER MOD Single : A 150 THR OG1 : rot -170:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : B1014 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 0.337 10.338 11.615 1.00 0.73 N ATOM 32 CA GLN A 3 -0.638 10.712 10.597 1.00 0.73 C ATOM 33 C GLN A 3 -0.144 10.267 9.223 1.00 0.61 C ATOM 34 O GLN A 3 -0.860 10.346 8.223 1.00 0.64 O ATOM 35 CB GLN A 3 -0.853 12.224 10.625 1.00 0.83 C ATOM 36 CG GLN A 3 -2.009 12.684 9.765 1.00 1.13 C ATOM 37 CD GLN A 3 -3.355 12.238 10.295 1.00 1.76 C ATOM 38 OE1 GLN A 3 -3.535 12.044 11.497 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.314 12.085 9.400 1.00 2.22 N ATOM 0 HA GLN A 3 -1.588 10.219 10.802 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.028 12.539 11.654 1.00 0.83 H new ATOM 0 HB3 GLN A 3 0.058 12.719 10.290 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -1.994 13.772 9.697 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -1.878 12.300 8.754 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.122 12.256 8.413 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.246 11.796 9.696 1.00 2.22 H new ATOM 48 N SER A 4 1.081 9.770 9.202 1.00 0.55 N ATOM 49 CA SER A 4 1.758 9.395 7.971 1.00 0.52 C ATOM 50 C SER A 4 1.061 8.231 7.258 1.00 0.45 C ATOM 51 O SER A 4 1.155 8.097 6.036 1.00 0.46 O ATOM 52 CB SER A 4 3.193 9.020 8.308 1.00 0.61 C ATOM 53 OG SER A 4 3.701 9.853 9.339 1.00 1.25 O ATOM 0 H SER A 4 1.637 9.614 10.043 1.00 0.55 H new ATOM 0 HA SER A 4 1.732 10.243 7.287 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.237 7.977 8.622 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.817 9.112 7.419 1.00 0.61 H new ATOM 0 HG SER A 4 4.430 9.391 9.803 1.00 1.25 H new ATOM 59 N ASN A 5 0.356 7.399 8.018 1.00 0.43 N ATOM 60 CA ASN A 5 -0.347 6.247 7.449 1.00 0.39 C ATOM 61 C ASN A 5 -1.485 6.683 6.538 1.00 0.35 C ATOM 62 O ASN A 5 -1.845 5.973 5.599 1.00 0.35 O ATOM 63 CB ASN A 5 -0.895 5.331 8.547 1.00 0.40 C ATOM 64 CG ASN A 5 -1.500 6.074 9.717 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.007 7.189 9.581 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.449 5.452 10.885 1.00 0.53 N ATOM 0 H ASN A 5 0.254 7.498 9.028 1.00 0.43 H new ATOM 0 HA ASN A 5 0.383 5.693 6.858 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.651 4.674 8.116 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.089 4.694 8.911 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.839 5.896 11.717 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.020 4.529 10.953 1.00 0.53 H new ATOM 73 N ARG A 6 -2.044 7.849 6.824 1.00 0.35 N ATOM 74 CA ARG A 6 -3.105 8.414 6.006 1.00 0.34 C ATOM 75 C ARG A 6 -2.636 8.556 4.566 1.00 0.31 C ATOM 76 O ARG A 6 -3.330 8.158 3.634 1.00 0.30 O ATOM 77 CB ARG A 6 -3.526 9.773 6.574 1.00 0.41 C ATOM 78 CG ARG A 6 -4.593 10.482 5.757 1.00 0.59 C ATOM 79 CD ARG A 6 -5.790 9.582 5.501 1.00 0.41 C ATOM 80 NE ARG A 6 -6.468 9.181 6.738 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.747 9.448 7.008 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.448 10.226 6.197 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.314 8.963 8.108 1.00 0.93 N ATOM 0 H ARG A 6 -1.778 8.425 7.622 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.966 7.746 6.021 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.895 9.632 7.590 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.648 10.415 6.640 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.918 11.380 6.282 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.169 10.805 4.806 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.498 10.100 4.854 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.462 8.691 4.965 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.929 8.667 7.434 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.010 10.622 5.365 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.426 10.429 6.404 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.771 8.385 8.749 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.292 9.169 8.311 1.00 0.93 H new ATOM 97 N GLU A 7 -1.437 9.087 4.417 1.00 0.30 N ATOM 98 CA GLU A 7 -0.833 9.321 3.111 1.00 0.29 C ATOM 99 C GLU A 7 -0.788 8.050 2.288 1.00 0.25 C ATOM 100 O GLU A 7 -1.187 8.032 1.125 1.00 0.26 O ATOM 101 CB GLU A 7 0.601 9.798 3.284 1.00 0.31 C ATOM 102 CG GLU A 7 0.750 11.044 4.121 1.00 0.40 C ATOM 103 CD GLU A 7 2.199 11.348 4.417 1.00 0.51 C ATOM 104 OE1 GLU A 7 3.033 11.303 3.495 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.498 11.675 5.580 1.00 0.53 O ATOM 0 H GLU A 7 -0.849 9.371 5.200 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.442 10.069 2.603 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.184 8.998 3.740 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.030 9.984 2.299 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.300 11.889 3.599 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.205 10.921 5.057 1.00 0.40 H new ATOM 112 N LEU A 8 -0.283 6.998 2.913 1.00 0.26 N ATOM 113 CA LEU A 8 -0.034 5.735 2.242 1.00 0.27 C ATOM 114 C LEU A 8 -1.324 5.191 1.647 1.00 0.28 C ATOM 115 O LEU A 8 -1.325 4.598 0.571 1.00 0.40 O ATOM 116 CB LEU A 8 0.569 4.739 3.236 1.00 0.34 C ATOM 117 CG LEU A 8 1.596 5.337 4.205 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.240 4.253 5.051 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.655 6.143 3.461 1.00 1.16 C ATOM 0 H LEU A 8 -0.034 6.998 3.902 1.00 0.26 H new ATOM 0 HA LEU A 8 0.673 5.891 1.428 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.239 4.292 3.816 1.00 0.34 H new ATOM 0 HB3 LEU A 8 1.044 3.933 2.677 1.00 0.34 H new ATOM 0 HG LEU A 8 1.065 6.017 4.871 1.00 0.41 H new ATOM 0 HD11 LEU A 8 2.964 4.703 5.730 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.472 3.738 5.629 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.746 3.538 4.402 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.368 6.554 4.176 1.00 1.16 H new ATOM 0 HD22 LEU A 8 3.178 5.495 2.758 1.00 1.16 H new ATOM 0 HD23 LEU A 8 2.177 6.957 2.917 1.00 1.16 H new ATOM 131 N VAL A 9 -2.420 5.415 2.357 1.00 0.23 N ATOM 132 CA VAL A 9 -3.737 5.052 1.868 1.00 0.23 C ATOM 133 C VAL A 9 -4.140 5.973 0.729 1.00 0.23 C ATOM 134 O VAL A 9 -4.391 5.532 -0.391 1.00 0.24 O ATOM 135 CB VAL A 9 -4.790 5.157 2.988 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.188 4.964 2.432 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.512 4.149 4.087 1.00 0.27 C ATOM 0 H VAL A 9 -2.420 5.850 3.280 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.691 4.021 1.518 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.726 6.157 3.417 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.915 5.042 3.240 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.392 5.731 1.685 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.263 3.979 1.970 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.268 4.242 4.866 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.541 3.141 3.672 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.527 4.338 4.513 1.00 0.27 H new ATOM 147 N VAL A 10 -4.178 7.259 1.040 1.00 0.23 N ATOM 148 CA VAL A 10 -4.645 8.282 0.116 1.00 0.25 C ATOM 149 C VAL A 10 -3.932 8.215 -1.225 1.00 0.25 C ATOM 150 O VAL A 10 -4.577 8.104 -2.270 1.00 0.27 O ATOM 151 CB VAL A 10 -4.438 9.669 0.733 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.851 10.762 -0.223 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.216 9.764 2.021 1.00 0.32 C ATOM 0 H VAL A 10 -3.884 7.625 1.946 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.705 8.101 -0.062 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.377 9.805 0.942 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.692 11.734 0.245 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.254 10.695 -1.132 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.906 10.648 -0.472 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.070 10.750 2.462 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.276 9.610 1.818 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.865 9.001 2.715 1.00 0.32 H new ATOM 163 N ASP A 11 -2.611 8.283 -1.187 1.00 0.26 N ATOM 164 CA ASP A 11 -1.806 8.274 -2.402 1.00 0.28 C ATOM 165 C ASP A 11 -2.092 7.022 -3.218 1.00 0.31 C ATOM 166 O ASP A 11 -2.140 7.062 -4.450 1.00 0.35 O ATOM 167 CB ASP A 11 -0.320 8.341 -2.055 1.00 0.32 C ATOM 168 CG ASP A 11 0.556 8.478 -3.283 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.794 9.625 -3.718 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.023 7.449 -3.811 1.00 0.49 O ATOM 0 H ASP A 11 -2.070 8.345 -0.325 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.069 9.149 -2.996 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.143 9.186 -1.390 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.037 7.441 -1.509 1.00 0.32 H new ATOM 175 N PHE A 12 -2.319 5.917 -2.521 1.00 0.32 N ATOM 176 CA PHE A 12 -2.571 4.655 -3.180 1.00 0.38 C ATOM 177 C PHE A 12 -3.938 4.667 -3.856 1.00 0.34 C ATOM 178 O PHE A 12 -4.043 4.329 -5.036 1.00 0.39 O ATOM 179 CB PHE A 12 -2.473 3.489 -2.194 1.00 0.46 C ATOM 180 CG PHE A 12 -2.087 2.194 -2.849 1.00 0.76 C ATOM 181 CD1 PHE A 12 -3.047 1.410 -3.470 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.775 1.754 -2.837 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.704 0.213 -4.065 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.427 0.557 -3.432 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.355 -0.189 -4.077 1.00 1.61 C ATOM 0 H PHE A 12 -2.333 5.875 -1.502 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.806 4.517 -3.944 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.740 3.732 -1.424 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.433 3.364 -1.692 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -4.075 1.740 -3.488 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.015 2.353 -2.357 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.463 -0.409 -4.517 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.595 0.213 -3.382 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.062 -1.088 -4.598 1.00 1.61 H new ATOM 195 N LEU A 13 -4.985 5.076 -3.128 1.00 0.28 N ATOM 196 CA LEU A 13 -6.322 5.136 -3.717 1.00 0.28 C ATOM 197 C LEU A 13 -6.351 6.125 -4.872 1.00 0.30 C ATOM 198 O LEU A 13 -6.983 5.873 -5.898 1.00 0.34 O ATOM 199 CB LEU A 13 -7.394 5.507 -2.686 1.00 0.25 C ATOM 200 CG LEU A 13 -7.926 4.338 -1.854 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.059 4.081 -0.650 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.363 4.578 -1.430 1.00 0.27 C ATOM 0 H LEU A 13 -4.932 5.364 -2.151 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.552 4.137 -4.088 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.982 6.256 -2.010 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.231 5.973 -3.206 1.00 0.25 H new ATOM 0 HG LEU A 13 -7.898 3.451 -2.486 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.465 3.245 -0.081 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.047 3.841 -0.975 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.037 4.971 -0.021 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.715 3.731 -0.840 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.418 5.486 -0.830 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -9.990 4.689 -2.315 1.00 0.27 H new ATOM 214 N SER A 14 -5.642 7.234 -4.703 1.00 0.29 N ATOM 215 CA SER A 14 -5.541 8.253 -5.741 1.00 0.33 C ATOM 216 C SER A 14 -5.025 7.640 -7.040 1.00 0.37 C ATOM 217 O SER A 14 -5.583 7.867 -8.118 1.00 0.42 O ATOM 218 CB SER A 14 -4.606 9.378 -5.276 1.00 0.33 C ATOM 219 OG SER A 14 -4.576 10.444 -6.209 1.00 1.05 O ATOM 0 H SER A 14 -5.125 7.452 -3.851 1.00 0.29 H new ATOM 0 HA SER A 14 -6.532 8.668 -5.926 1.00 0.33 H new ATOM 0 HB2 SER A 14 -4.936 9.750 -4.306 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.599 8.983 -5.140 1.00 0.33 H new ATOM 0 HG SER A 14 -3.974 11.146 -5.885 1.00 1.05 H new ATOM 225 N TYR A 15 -3.976 6.838 -6.925 1.00 0.37 N ATOM 226 CA TYR A 15 -3.374 6.191 -8.078 1.00 0.45 C ATOM 227 C TYR A 15 -4.309 5.127 -8.655 1.00 0.43 C ATOM 228 O TYR A 15 -4.286 4.854 -9.852 1.00 0.55 O ATOM 229 CB TYR A 15 -2.035 5.562 -7.684 1.00 0.52 C ATOM 230 CG TYR A 15 -1.164 5.155 -8.854 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.320 6.073 -9.463 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.172 3.854 -9.338 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.490 5.708 -10.521 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.361 3.480 -10.393 1.00 1.06 C ATOM 235 CZ TYR A 15 0.466 4.411 -10.982 1.00 1.03 C ATOM 236 OH TYR A 15 1.285 4.041 -12.025 1.00 1.22 O ATOM 0 H TYR A 15 -3.523 6.620 -6.038 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.202 6.945 -8.846 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.483 6.270 -7.066 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.228 4.684 -7.068 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.296 7.091 -9.103 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.823 3.122 -8.883 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.139 6.437 -10.984 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.376 2.462 -10.754 1.00 1.06 H new ATOM 0 HH TYR A 15 1.148 3.092 -12.228 1.00 1.22 H new ATOM 246 N LYS A 16 -5.141 4.533 -7.802 1.00 0.33 N ATOM 247 CA LYS A 16 -6.060 3.489 -8.249 1.00 0.33 C ATOM 248 C LYS A 16 -7.177 4.081 -9.090 1.00 0.33 C ATOM 249 O LYS A 16 -7.603 3.479 -10.074 1.00 0.42 O ATOM 250 CB LYS A 16 -6.645 2.704 -7.073 1.00 0.34 C ATOM 251 CG LYS A 16 -5.615 2.032 -6.170 1.00 0.61 C ATOM 252 CD LYS A 16 -4.657 1.122 -6.930 1.00 0.57 C ATOM 253 CE LYS A 16 -3.483 1.903 -7.497 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.425 1.022 -8.050 1.00 1.41 N ATOM 0 H LYS A 16 -5.198 4.754 -6.808 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.485 2.794 -8.861 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.249 3.381 -6.469 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.317 1.940 -7.464 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.042 2.799 -5.649 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.133 1.449 -5.409 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.289 0.341 -6.264 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.191 0.625 -7.740 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -3.840 2.571 -8.281 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.056 2.530 -6.714 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -1.680 1.604 -8.484 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.015 0.449 -7.285 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -2.837 0.394 -8.770 1.00 1.41 H new ATOM 268 N LEU A 17 -7.641 5.266 -8.716 1.00 0.33 N ATOM 269 CA LEU A 17 -8.634 5.969 -9.524 1.00 0.32 C ATOM 270 C LEU A 17 -8.022 6.381 -10.857 1.00 0.35 C ATOM 271 O LEU A 17 -8.708 6.436 -11.875 1.00 0.36 O ATOM 272 CB LEU A 17 -9.194 7.207 -8.808 1.00 0.35 C ATOM 273 CG LEU A 17 -10.296 6.956 -7.773 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.898 5.569 -7.918 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.764 7.182 -6.373 1.00 1.15 C ATOM 0 H LEU A 17 -7.352 5.757 -7.870 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.463 5.281 -9.691 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.369 7.717 -8.311 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.583 7.891 -9.562 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.099 7.671 -7.956 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.675 5.429 -7.167 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.331 5.463 -8.913 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.120 4.818 -7.779 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.558 7.000 -5.648 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.936 6.499 -6.184 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.415 8.210 -6.278 1.00 1.15 H new ATOM 287 N SER A 18 -6.719 6.644 -10.843 1.00 0.41 N ATOM 288 CA SER A 18 -5.996 7.063 -12.039 1.00 0.48 C ATOM 289 C SER A 18 -5.996 5.964 -13.108 1.00 0.51 C ATOM 290 O SER A 18 -5.893 6.251 -14.301 1.00 0.58 O ATOM 291 CB SER A 18 -4.559 7.452 -11.671 1.00 0.57 C ATOM 292 OG SER A 18 -3.830 7.888 -12.805 1.00 0.94 O ATOM 0 H SER A 18 -6.138 6.573 -10.008 1.00 0.41 H new ATOM 0 HA SER A 18 -6.506 7.930 -12.458 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.576 8.244 -10.922 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.054 6.598 -11.220 1.00 0.57 H new ATOM 0 HG SER A 18 -2.919 8.130 -12.535 1.00 0.94 H new ATOM 298 N GLN A 19 -6.133 4.711 -12.681 1.00 0.52 N ATOM 299 CA GLN A 19 -6.159 3.583 -13.616 1.00 0.57 C ATOM 300 C GLN A 19 -7.471 3.564 -14.372 1.00 0.51 C ATOM 301 O GLN A 19 -7.610 2.928 -15.414 1.00 0.59 O ATOM 302 CB GLN A 19 -6.004 2.256 -12.878 1.00 0.68 C ATOM 303 CG GLN A 19 -5.103 2.327 -11.664 1.00 0.84 C ATOM 304 CD GLN A 19 -4.855 0.967 -11.048 1.00 0.97 C ATOM 305 OE1 GLN A 19 -3.871 0.300 -11.364 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.764 0.528 -10.191 1.00 1.19 N ATOM 0 H GLN A 19 -6.227 4.449 -11.700 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.327 3.708 -14.309 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -6.989 1.908 -12.567 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -5.607 1.512 -13.569 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -4.150 2.773 -11.948 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -5.553 2.983 -10.919 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -6.566 1.112 -9.955 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -5.662 -0.394 -9.767 1.00 1.19 H new ATOM 315 N LYS A 20 -8.426 4.260 -13.809 1.00 0.45 N ATOM 316 CA LYS A 20 -9.775 4.298 -14.316 1.00 0.49 C ATOM 317 C LYS A 20 -10.011 5.620 -15.007 1.00 0.48 C ATOM 318 O LYS A 20 -10.848 5.752 -15.899 1.00 0.53 O ATOM 319 CB LYS A 20 -10.722 4.143 -13.137 1.00 0.57 C ATOM 320 CG LYS A 20 -10.186 3.216 -12.068 1.00 0.49 C ATOM 321 CD LYS A 20 -10.070 1.793 -12.573 1.00 1.20 C ATOM 322 CE LYS A 20 -11.408 1.294 -13.090 1.00 1.75 C ATOM 323 NZ LYS A 20 -11.356 -0.134 -13.498 1.00 2.20 N ATOM 0 H LYS A 20 -8.286 4.826 -12.972 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.943 3.496 -15.035 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.912 5.123 -12.699 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.679 3.763 -13.494 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.208 3.567 -11.738 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.844 3.242 -11.199 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.326 1.744 -13.368 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.721 1.144 -11.770 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.165 1.421 -12.316 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.716 1.902 -13.941 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -12.291 -0.431 -13.844 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.653 -0.253 -14.255 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -11.088 -0.719 -12.681 1.00 2.20 H new ATOM 337 N GLY A 21 -9.254 6.593 -14.561 1.00 0.45 N ATOM 338 CA GLY A 21 -9.319 7.916 -15.121 1.00 0.49 C ATOM 339 C GLY A 21 -10.121 8.845 -14.247 1.00 0.47 C ATOM 340 O GLY A 21 -10.719 9.810 -14.722 1.00 0.53 O ATOM 0 H GLY A 21 -8.579 6.489 -13.803 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.310 8.310 -15.244 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.767 7.871 -16.114 1.00 0.49 H new ATOM 344 N TYR A 22 -10.150 8.530 -12.964 1.00 0.40 N ATOM 345 CA TYR A 22 -10.837 9.355 -11.987 1.00 0.37 C ATOM 346 C TYR A 22 -9.844 9.939 -11.000 1.00 0.36 C ATOM 347 O TYR A 22 -8.690 9.514 -10.945 1.00 0.38 O ATOM 348 CB TYR A 22 -11.896 8.545 -11.241 1.00 0.34 C ATOM 349 CG TYR A 22 -13.025 8.082 -12.133 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.937 6.886 -12.831 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.186 8.833 -12.265 1.00 0.50 C ATOM 352 CE1 TYR A 22 -13.970 6.452 -13.636 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.226 8.402 -13.064 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.089 7.251 -13.798 1.00 0.62 C ATOM 355 OH TYR A 22 -16.148 6.776 -14.539 1.00 0.76 O ATOM 0 H TYR A 22 -9.702 7.702 -12.573 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.332 10.168 -12.518 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.424 7.676 -10.782 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.305 9.150 -10.432 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.044 6.284 -12.743 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.277 9.769 -11.734 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.906 5.497 -14.136 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.144 8.969 -13.111 1.00 0.62 H new ATOM 0 HH TYR A 22 -16.860 7.449 -14.562 1.00 0.76 H new ATOM 365 N SER A 23 -10.290 10.913 -10.230 1.00 0.37 N ATOM 366 CA SER A 23 -9.438 11.548 -9.249 1.00 0.39 C ATOM 367 C SER A 23 -9.885 11.192 -7.841 1.00 0.35 C ATOM 368 O SER A 23 -11.077 11.042 -7.581 1.00 0.34 O ATOM 369 CB SER A 23 -9.493 13.056 -9.427 1.00 0.45 C ATOM 370 OG SER A 23 -8.359 13.688 -8.862 1.00 0.52 O ATOM 0 H SER A 23 -11.241 11.281 -10.267 1.00 0.37 H new ATOM 0 HA SER A 23 -8.417 11.194 -9.395 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.553 13.296 -10.489 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.398 13.446 -8.960 1.00 0.45 H new ATOM 0 HG SER A 23 -8.616 14.139 -8.031 1.00 0.52 H new ATOM 376 N TRP A 24 -8.928 11.070 -6.937 1.00 0.37 N ATOM 377 CA TRP A 24 -9.234 10.851 -5.533 1.00 0.36 C ATOM 378 C TRP A 24 -9.868 12.099 -4.941 1.00 0.35 C ATOM 379 O TRP A 24 -10.924 12.036 -4.316 1.00 0.34 O ATOM 380 CB TRP A 24 -7.966 10.482 -4.746 1.00 0.45 C ATOM 381 CG TRP A 24 -7.988 10.963 -3.320 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.677 10.419 -2.276 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.295 12.103 -2.792 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.470 11.163 -1.138 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.623 12.198 -1.429 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.434 13.057 -3.343 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -7.121 13.206 -0.608 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.934 14.055 -2.529 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.279 14.123 -1.173 1.00 3.13 C ATOM 0 H TRP A 24 -7.932 11.119 -7.150 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.936 10.020 -5.460 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.844 9.399 -4.755 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.098 10.905 -5.251 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.294 9.535 -2.334 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.882 10.974 -0.224 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.164 13.014 -4.388 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.388 13.261 0.437 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.266 14.795 -2.945 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.872 14.915 -0.562 1.00 3.13 H new ATOM 400 N SER A 25 -9.222 13.234 -5.169 1.00 0.39 N ATOM 401 CA SER A 25 -9.620 14.487 -4.556 1.00 0.44 C ATOM 402 C SER A 25 -11.029 14.889 -4.974 1.00 0.43 C ATOM 403 O SER A 25 -11.802 15.402 -4.159 1.00 0.49 O ATOM 404 CB SER A 25 -8.611 15.570 -4.928 1.00 0.53 C ATOM 405 OG SER A 25 -8.123 15.362 -6.245 1.00 1.37 O ATOM 0 H SER A 25 -8.410 13.309 -5.782 1.00 0.39 H new ATOM 0 HA SER A 25 -9.632 14.361 -3.473 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.080 16.552 -4.858 1.00 0.53 H new ATOM 0 HB3 SER A 25 -7.782 15.561 -4.221 1.00 0.53 H new ATOM 0 HG SER A 25 -7.478 16.065 -6.470 1.00 1.37 H new ATOM 411 N GLN A 26 -11.366 14.626 -6.236 1.00 0.40 N ATOM 412 CA GLN A 26 -12.696 14.928 -6.758 1.00 0.42 C ATOM 413 C GLN A 26 -13.782 14.204 -5.971 1.00 0.38 C ATOM 414 O GLN A 26 -14.910 14.675 -5.876 1.00 0.41 O ATOM 415 CB GLN A 26 -12.797 14.536 -8.229 1.00 0.47 C ATOM 416 CG GLN A 26 -12.044 15.454 -9.156 1.00 0.59 C ATOM 417 CD GLN A 26 -12.293 15.102 -10.602 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.353 14.584 -10.957 1.00 1.11 O ATOM 419 NE2 GLN A 26 -11.326 15.375 -11.447 1.00 1.10 N ATOM 0 H GLN A 26 -10.734 14.204 -6.916 1.00 0.40 H new ATOM 0 HA GLN A 26 -12.847 16.003 -6.655 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.419 13.521 -8.352 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -13.847 14.522 -8.520 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.346 16.485 -8.974 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -10.977 15.392 -8.944 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -10.463 15.804 -11.113 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -11.438 15.158 -12.437 1.00 1.10 H new ATOM 428 N PHE A 27 -13.436 13.056 -5.413 1.00 0.35 N ATOM 429 CA PHE A 27 -14.402 12.229 -4.715 1.00 0.38 C ATOM 430 C PHE A 27 -14.034 12.095 -3.247 1.00 0.43 C ATOM 431 O PHE A 27 -14.538 11.220 -2.544 1.00 0.67 O ATOM 432 CB PHE A 27 -14.452 10.848 -5.364 1.00 0.43 C ATOM 433 CG PHE A 27 -14.695 10.890 -6.845 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.655 11.735 -7.380 1.00 0.85 C ATOM 435 CD2 PHE A 27 -13.953 10.097 -7.701 1.00 0.94 C ATOM 436 CE1 PHE A 27 -15.868 11.784 -8.742 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.162 10.144 -9.064 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.122 10.989 -9.585 1.00 1.28 C ATOM 0 H PHE A 27 -12.490 12.676 -5.431 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.382 12.702 -4.782 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.511 10.331 -5.173 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.240 10.262 -4.891 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.242 12.361 -6.724 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.202 9.434 -7.298 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.619 12.445 -9.148 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.575 9.521 -9.723 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.288 11.027 -10.652 1.00 1.28 H new ATOM 448 N SER A 28 -13.160 12.967 -2.778 1.00 0.39 N ATOM 449 CA SER A 28 -12.666 12.848 -1.425 1.00 0.42 C ATOM 450 C SER A 28 -13.367 13.809 -0.482 1.00 0.58 C ATOM 451 O SER A 28 -14.236 14.580 -0.883 1.00 1.01 O ATOM 452 CB SER A 28 -11.154 13.067 -1.365 1.00 0.62 C ATOM 453 OG SER A 28 -10.814 14.419 -1.615 1.00 1.81 O ATOM 0 H SER A 28 -12.784 13.753 -3.308 1.00 0.39 H new ATOM 0 HA SER A 28 -12.885 11.831 -1.099 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.782 12.773 -0.384 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.663 12.426 -2.098 1.00 0.62 H new ATOM 0 HG SER A 28 -11.290 14.734 -2.412 1.00 1.81 H new ATOM 459 N ASP A 29 -12.961 13.736 0.772 1.00 0.63 N ATOM 460 CA ASP A 29 -13.522 14.542 1.846 1.00 0.84 C ATOM 461 C ASP A 29 -12.611 14.431 3.060 1.00 0.88 C ATOM 462 O ASP A 29 -12.699 15.194 4.016 1.00 1.03 O ATOM 463 CB ASP A 29 -14.927 14.048 2.171 1.00 1.04 C ATOM 464 CG ASP A 29 -15.582 14.806 3.306 1.00 1.69 C ATOM 465 OD1 ASP A 29 -15.407 14.407 4.476 1.00 2.31 O ATOM 466 OD2 ASP A 29 -16.291 15.793 3.037 1.00 1.85 O ATOM 0 H ASP A 29 -12.221 13.106 1.080 1.00 0.63 H new ATOM 0 HA ASP A 29 -13.591 15.588 1.546 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -15.549 14.133 1.280 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.882 12.990 2.429 1.00 1.04 H new ATOM 471 N VAL A 30 -11.720 13.463 2.981 1.00 0.80 N ATOM 472 CA VAL A 30 -10.743 13.192 4.014 1.00 0.82 C ATOM 473 C VAL A 30 -9.713 14.325 4.133 1.00 0.82 C ATOM 474 O VAL A 30 -9.748 15.104 5.078 1.00 0.92 O ATOM 475 CB VAL A 30 -10.052 11.850 3.691 1.00 0.81 C ATOM 476 CG1 VAL A 30 -11.005 10.703 3.962 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.616 11.810 2.229 1.00 0.76 C ATOM 0 H VAL A 30 -11.654 12.832 2.182 1.00 0.80 H new ATOM 0 HA VAL A 30 -11.248 13.129 4.978 1.00 0.82 H new ATOM 0 HB VAL A 30 -9.171 11.754 4.326 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -10.512 9.758 3.732 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -11.298 10.714 5.012 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.891 10.811 3.337 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -9.131 10.857 2.020 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.489 11.922 1.586 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.916 12.623 2.036 1.00 0.76 H new ATOM 487 N GLU A 31 -8.828 14.424 3.150 1.00 0.78 N ATOM 488 CA GLU A 31 -7.833 15.483 3.095 1.00 0.83 C ATOM 489 C GLU A 31 -8.372 16.620 2.239 1.00 0.88 C ATOM 490 O GLU A 31 -7.681 17.603 1.969 1.00 0.98 O ATOM 491 CB GLU A 31 -6.517 14.965 2.509 1.00 0.93 C ATOM 492 CG GLU A 31 -5.968 13.726 3.202 1.00 1.05 C ATOM 493 CD GLU A 31 -5.734 13.930 4.687 1.00 2.05 C ATOM 494 OE1 GLU A 31 -4.784 14.657 5.055 1.00 2.46 O ATOM 495 OE2 GLU A 31 -6.488 13.343 5.488 1.00 2.74 O ATOM 0 H GLU A 31 -8.781 13.771 2.368 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.634 15.839 4.106 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -6.667 14.740 1.453 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.771 15.758 2.564 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.664 12.899 3.060 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.029 13.438 2.728 1.00 1.05 H new ATOM 502 N GLU A 32 -9.607 16.439 1.786 1.00 0.87 N ATOM 503 CA GLU A 32 -10.274 17.394 0.919 1.00 0.98 C ATOM 504 C GLU A 32 -10.423 18.746 1.605 1.00 1.09 C ATOM 505 O GLU A 32 -9.786 19.725 1.225 1.00 1.24 O ATOM 506 CB GLU A 32 -11.656 16.858 0.545 1.00 0.98 C ATOM 507 CG GLU A 32 -12.515 17.869 -0.195 1.00 1.12 C ATOM 508 CD GLU A 32 -13.992 17.700 0.075 1.00 1.20 C ATOM 509 OE1 GLU A 32 -14.383 17.715 1.257 1.00 1.17 O ATOM 510 OE2 GLU A 32 -14.773 17.583 -0.893 1.00 1.45 O ATOM 0 H GLU A 32 -10.173 15.621 2.012 1.00 0.87 H new ATOM 0 HA GLU A 32 -9.668 17.529 0.023 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -11.537 15.970 -0.076 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -12.174 16.546 1.452 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.212 18.875 0.093 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -12.334 17.776 -1.266 1.00 1.12 H new ATOM 630 N THR A 41 5.748 13.083 5.009 1.00 1.12 N ATOM 631 CA THR A 41 6.638 13.420 6.101 1.00 0.86 C ATOM 632 C THR A 41 7.721 12.339 6.247 1.00 0.75 C ATOM 633 O THR A 41 8.878 12.551 5.881 1.00 0.85 O ATOM 634 CB THR A 41 5.859 13.627 7.424 1.00 0.80 C ATOM 635 OG1 THR A 41 6.769 13.761 8.522 1.00 0.95 O ATOM 636 CG2 THR A 41 4.874 12.495 7.692 1.00 0.91 C ATOM 0 HA THR A 41 7.125 14.367 5.871 1.00 0.86 H new ATOM 0 HB THR A 41 5.282 14.546 7.320 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.264 13.893 9.351 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.351 12.682 8.630 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.151 12.441 6.878 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.415 11.551 7.761 1.00 0.91 H new ATOM 644 N GLU A 42 7.343 11.182 6.767 1.00 0.69 N ATOM 645 CA GLU A 42 8.178 9.995 6.694 1.00 0.66 C ATOM 646 C GLU A 42 7.782 9.200 5.469 1.00 0.54 C ATOM 647 O GLU A 42 8.592 8.548 4.811 1.00 0.56 O ATOM 648 CB GLU A 42 7.988 9.138 7.944 1.00 0.74 C ATOM 649 CG GLU A 42 6.597 8.522 8.086 1.00 0.65 C ATOM 650 CD GLU A 42 6.413 7.851 9.431 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.004 6.777 9.656 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.700 8.415 10.288 1.00 1.17 O ATOM 0 H GLU A 42 6.455 11.040 7.248 1.00 0.69 H new ATOM 0 HA GLU A 42 9.226 10.289 6.630 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.727 8.337 7.935 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.192 9.750 8.823 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.842 9.298 7.961 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.440 7.793 7.291 1.00 0.65 H new ATOM 659 N SER A 43 6.507 9.314 5.171 1.00 0.48 N ATOM 660 CA SER A 43 5.834 8.466 4.221 1.00 0.43 C ATOM 661 C SER A 43 6.255 8.672 2.779 1.00 0.43 C ATOM 662 O SER A 43 5.971 7.827 1.950 1.00 0.49 O ATOM 663 CB SER A 43 4.348 8.679 4.340 1.00 0.50 C ATOM 664 OG SER A 43 3.850 8.120 5.537 1.00 1.25 O ATOM 0 H SER A 43 5.899 10.015 5.593 1.00 0.48 H new ATOM 0 HA SER A 43 6.119 7.444 4.472 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.127 9.746 4.313 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.843 8.227 3.486 1.00 0.50 H new ATOM 0 HG SER A 43 2.872 8.080 5.497 1.00 1.25 H new ATOM 670 N GLU A 44 6.895 9.781 2.464 1.00 0.46 N ATOM 671 CA GLU A 44 7.301 10.036 1.082 1.00 0.52 C ATOM 672 C GLU A 44 8.102 8.860 0.520 1.00 0.51 C ATOM 673 O GLU A 44 7.923 8.470 -0.630 1.00 0.58 O ATOM 674 CB GLU A 44 8.110 11.324 0.968 1.00 0.61 C ATOM 675 CG GLU A 44 8.558 11.626 -0.451 1.00 0.72 C ATOM 676 CD GLU A 44 9.376 12.891 -0.551 1.00 1.17 C ATOM 677 OE1 GLU A 44 10.578 12.862 -0.219 1.00 1.91 O ATOM 678 OE2 GLU A 44 8.815 13.932 -0.949 1.00 1.29 O ATOM 0 H GLU A 44 7.145 10.513 3.128 1.00 0.46 H new ATOM 0 HA GLU A 44 6.391 10.152 0.493 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.510 12.156 1.337 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.987 11.253 1.611 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.145 10.789 -0.827 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.681 11.714 -1.093 1.00 0.72 H new ATOM 685 N ALA A 45 8.967 8.285 1.342 1.00 0.48 N ATOM 686 CA ALA A 45 9.721 7.107 0.937 1.00 0.48 C ATOM 687 C ALA A 45 8.894 5.837 1.108 1.00 0.41 C ATOM 688 O ALA A 45 8.919 4.956 0.250 1.00 0.41 O ATOM 689 CB ALA A 45 11.015 7.013 1.730 1.00 0.52 C ATOM 0 H ALA A 45 9.164 8.612 2.288 1.00 0.48 H new ATOM 0 HA ALA A 45 9.964 7.206 -0.121 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.570 6.128 1.418 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.619 7.902 1.548 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.786 6.941 2.793 1.00 0.52 H new ATOM 695 N VAL A 46 8.142 5.749 2.198 1.00 0.37 N ATOM 696 CA VAL A 46 7.388 4.533 2.493 1.00 0.34 C ATOM 697 C VAL A 46 6.231 4.340 1.503 1.00 0.34 C ATOM 698 O VAL A 46 5.943 3.217 1.095 1.00 0.39 O ATOM 699 CB VAL A 46 6.872 4.491 3.961 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.405 5.648 4.775 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.364 4.487 4.036 1.00 1.13 C ATOM 0 H VAL A 46 8.037 6.494 2.886 1.00 0.37 H new ATOM 0 HA VAL A 46 8.084 3.702 2.375 1.00 0.34 H new ATOM 0 HB VAL A 46 7.244 3.557 4.381 1.00 0.49 H new ATOM 0 HG11 VAL A 46 7.022 5.583 5.794 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.494 5.609 4.793 1.00 1.41 H new ATOM 0 HG13 VAL A 46 7.083 6.588 4.326 1.00 1.41 H new ATOM 0 HG21 VAL A 46 5.052 4.457 5.080 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.974 5.390 3.566 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.976 3.611 3.516 1.00 1.13 H new ATOM 711 N LYS A 47 5.586 5.435 1.095 1.00 0.34 N ATOM 712 CA LYS A 47 4.500 5.360 0.126 1.00 0.36 C ATOM 713 C LYS A 47 5.082 5.026 -1.235 1.00 0.39 C ATOM 714 O LYS A 47 4.474 4.318 -2.036 1.00 0.43 O ATOM 715 CB LYS A 47 3.734 6.683 0.046 1.00 0.38 C ATOM 716 CG LYS A 47 4.463 7.750 -0.750 1.00 0.49 C ATOM 717 CD LYS A 47 3.801 9.110 -0.647 1.00 0.47 C ATOM 718 CE LYS A 47 3.373 9.428 0.772 1.00 0.47 C ATOM 719 NZ LYS A 47 2.989 10.854 0.930 1.00 0.67 N ATOM 0 H LYS A 47 5.798 6.378 1.421 1.00 0.34 H new ATOM 0 HA LYS A 47 3.801 4.586 0.442 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.759 6.504 -0.407 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.553 7.052 1.056 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.491 7.823 -0.396 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.507 7.450 -1.797 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.492 9.877 -0.998 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.931 9.140 -1.303 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.531 8.793 1.048 1.00 0.47 H new ATOM 0 HE3 LYS A 47 4.187 9.194 1.458 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.834 11.062 1.937 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.750 11.461 0.564 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.114 11.039 0.400 1.00 0.67 H new ATOM 733 N GLN A 48 6.278 5.554 -1.484 1.00 0.40 N ATOM 734 CA GLN A 48 6.987 5.282 -2.714 1.00 0.46 C ATOM 735 C GLN A 48 7.341 3.812 -2.806 1.00 0.45 C ATOM 736 O GLN A 48 7.388 3.247 -3.890 1.00 0.50 O ATOM 737 CB GLN A 48 8.254 6.129 -2.823 1.00 0.52 C ATOM 738 CG GLN A 48 8.054 7.435 -3.571 1.00 0.58 C ATOM 739 CD GLN A 48 7.402 7.259 -4.931 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.695 8.141 -5.411 1.00 0.99 O ATOM 741 NE2 GLN A 48 7.616 6.113 -5.553 1.00 0.63 N ATOM 0 H GLN A 48 6.771 6.174 -0.842 1.00 0.40 H new ATOM 0 HA GLN A 48 6.328 5.544 -3.542 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.621 6.348 -1.820 1.00 0.52 H new ATOM 0 HB3 GLN A 48 9.027 5.547 -3.326 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.439 8.101 -2.965 1.00 0.58 H new ATOM 0 HG3 GLN A 48 9.020 7.922 -3.700 1.00 0.58 H new ATOM 0 HE21 GLN A 48 8.209 5.403 -5.124 1.00 0.63 H new ATOM 0 HE22 GLN A 48 7.188 5.939 -6.462 1.00 0.63 H new ATOM 750 N ALA A 49 7.601 3.208 -1.659 1.00 0.42 N ATOM 751 CA ALA A 49 7.860 1.782 -1.588 1.00 0.41 C ATOM 752 C ALA A 49 6.561 0.991 -1.686 1.00 0.39 C ATOM 753 O ALA A 49 6.482 -0.017 -2.388 1.00 0.42 O ATOM 754 CB ALA A 49 8.584 1.443 -0.299 1.00 0.42 C ATOM 0 H ALA A 49 7.638 3.687 -0.759 1.00 0.42 H new ATOM 0 HA ALA A 49 8.494 1.507 -2.431 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.772 0.370 -0.259 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.532 1.979 -0.262 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.969 1.736 0.552 1.00 0.42 H new ATOM 760 N LEU A 50 5.536 1.467 -0.990 1.00 0.38 N ATOM 761 CA LEU A 50 4.260 0.773 -0.929 1.00 0.40 C ATOM 762 C LEU A 50 3.554 0.745 -2.278 1.00 0.41 C ATOM 763 O LEU A 50 2.727 -0.129 -2.521 1.00 0.43 O ATOM 764 CB LEU A 50 3.335 1.419 0.093 1.00 0.45 C ATOM 765 CG LEU A 50 2.593 0.422 0.971 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.466 0.015 2.139 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.271 0.989 1.448 1.00 1.20 C ATOM 0 H LEU A 50 5.566 2.336 -0.458 1.00 0.38 H new ATOM 0 HA LEU A 50 4.484 -0.251 -0.632 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.920 2.083 0.729 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.607 2.039 -0.431 1.00 0.45 H new ATOM 0 HG LEU A 50 2.369 -0.464 0.377 1.00 0.69 H new ATOM 0 HD11 LEU A 50 2.929 -0.699 2.763 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.381 -0.446 1.766 1.00 1.33 H new ATOM 0 HD13 LEU A 50 3.718 0.896 2.729 1.00 1.33 H new ATOM 0 HD21 LEU A 50 0.764 0.254 2.073 1.00 1.20 H new ATOM 0 HD22 LEU A 50 1.451 1.895 2.027 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.645 1.227 0.588 1.00 1.20 H new ATOM 779 N ARG A 51 3.877 1.680 -3.161 1.00 0.44 N ATOM 780 CA ARG A 51 3.199 1.734 -4.446 1.00 0.50 C ATOM 781 C ARG A 51 3.793 0.661 -5.329 1.00 0.52 C ATOM 782 O ARG A 51 3.137 0.095 -6.197 1.00 0.59 O ATOM 783 CB ARG A 51 3.355 3.109 -5.092 1.00 0.53 C ATOM 784 CG ARG A 51 4.774 3.416 -5.515 1.00 0.52 C ATOM 785 CD ARG A 51 4.916 4.826 -6.039 1.00 0.73 C ATOM 786 NE ARG A 51 4.061 5.082 -7.195 1.00 1.21 N ATOM 787 CZ ARG A 51 3.923 6.278 -7.770 1.00 1.63 C ATOM 788 NH1 ARG A 51 4.578 7.334 -7.298 1.00 1.96 N ATOM 789 NH2 ARG A 51 3.126 6.414 -8.820 1.00 2.17 N ATOM 0 H ARG A 51 4.588 2.396 -3.016 1.00 0.44 H new ATOM 0 HA ARG A 51 2.131 1.564 -4.309 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.703 3.169 -5.963 1.00 0.53 H new ATOM 0 HB3 ARG A 51 3.020 3.872 -4.390 1.00 0.53 H new ATOM 0 HG2 ARG A 51 5.444 3.275 -4.667 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.083 2.710 -6.286 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.669 5.532 -5.246 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.956 5.005 -6.313 1.00 0.73 H new ATOM 0 HE ARG A 51 3.538 4.299 -7.587 1.00 1.21 H new ATOM 0 HH11 ARG A 51 5.192 7.234 -6.490 1.00 1.96 H new ATOM 0 HH12 ARG A 51 4.466 8.245 -7.744 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.621 5.606 -9.185 1.00 2.17 H new ATOM 0 HH22 ARG A 51 3.017 7.326 -9.263 1.00 2.17 H new ATOM 803 N GLU A 52 5.053 0.387 -5.051 1.00 0.49 N ATOM 804 CA GLU A 52 5.805 -0.640 -5.726 1.00 0.54 C ATOM 805 C GLU A 52 5.358 -2.014 -5.238 1.00 0.53 C ATOM 806 O GLU A 52 5.001 -2.880 -6.036 1.00 0.58 O ATOM 807 CB GLU A 52 7.282 -0.411 -5.427 1.00 0.59 C ATOM 808 CG GLU A 52 7.734 1.013 -5.725 1.00 0.63 C ATOM 809 CD GLU A 52 8.007 1.232 -7.196 1.00 0.87 C ATOM 810 OE1 GLU A 52 9.109 0.879 -7.661 1.00 1.10 O ATOM 811 OE2 GLU A 52 7.117 1.768 -7.890 1.00 1.07 O ATOM 0 H GLU A 52 5.587 0.883 -4.337 1.00 0.49 H new ATOM 0 HA GLU A 52 5.637 -0.599 -6.802 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.474 -0.636 -4.378 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.879 -1.107 -6.016 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.967 1.712 -5.392 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.636 1.233 -5.154 1.00 0.63 H new ATOM 818 N ALA A 53 5.356 -2.188 -3.920 1.00 0.49 N ATOM 819 CA ALA A 53 4.926 -3.438 -3.305 1.00 0.48 C ATOM 820 C ALA A 53 3.453 -3.704 -3.581 1.00 0.49 C ATOM 821 O ALA A 53 3.066 -4.822 -3.921 1.00 0.53 O ATOM 822 CB ALA A 53 5.174 -3.398 -1.807 1.00 0.45 C ATOM 0 H ALA A 53 5.650 -1.473 -3.254 1.00 0.49 H new ATOM 0 HA ALA A 53 5.509 -4.249 -3.743 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.849 -4.337 -1.359 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.238 -3.255 -1.618 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.613 -2.573 -1.367 1.00 0.45 H new ATOM 828 N GLY A 54 2.639 -2.666 -3.435 1.00 0.49 N ATOM 829 CA GLY A 54 1.220 -2.791 -3.681 1.00 0.53 C ATOM 830 C GLY A 54 0.925 -3.147 -5.117 1.00 0.60 C ATOM 831 O GLY A 54 0.007 -3.918 -5.390 1.00 0.70 O ATOM 0 H GLY A 54 2.941 -1.735 -3.149 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.804 -3.556 -3.025 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.725 -1.853 -3.431 1.00 0.53 H new ATOM 835 N ASP A 55 1.724 -2.605 -6.034 1.00 0.61 N ATOM 836 CA ASP A 55 1.542 -2.872 -7.456 1.00 0.69 C ATOM 837 C ASP A 55 1.782 -4.342 -7.752 1.00 0.70 C ATOM 838 O ASP A 55 1.087 -4.926 -8.569 1.00 0.79 O ATOM 839 CB ASP A 55 2.476 -2.010 -8.306 1.00 0.73 C ATOM 840 CG ASP A 55 2.172 -2.120 -9.790 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.254 -1.422 -10.267 1.00 1.04 O ATOM 842 OD2 ASP A 55 2.846 -2.910 -10.489 1.00 0.82 O ATOM 0 H ASP A 55 2.501 -1.981 -5.817 1.00 0.61 H new ATOM 0 HA ASP A 55 0.514 -2.618 -7.714 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.388 -0.969 -7.996 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.508 -2.310 -8.126 1.00 0.73 H new ATOM 847 N GLU A 56 2.757 -4.931 -7.059 1.00 0.66 N ATOM 848 CA GLU A 56 3.073 -6.360 -7.186 1.00 0.74 C ATOM 849 C GLU A 56 1.878 -7.229 -6.798 1.00 0.77 C ATOM 850 O GLU A 56 1.747 -8.367 -7.250 1.00 0.88 O ATOM 851 CB GLU A 56 4.284 -6.722 -6.320 1.00 0.79 C ATOM 852 CG GLU A 56 5.543 -5.942 -6.662 1.00 1.24 C ATOM 853 CD GLU A 56 5.993 -6.141 -8.094 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.619 -7.176 -8.386 1.00 1.43 O ATOM 855 OE2 GLU A 56 5.705 -5.268 -8.940 1.00 2.29 O ATOM 0 H GLU A 56 3.351 -4.435 -6.394 1.00 0.66 H new ATOM 0 HA GLU A 56 3.312 -6.554 -8.232 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.034 -6.548 -5.273 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.489 -7.787 -6.426 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.365 -4.881 -6.487 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.345 -6.245 -5.990 1.00 1.24 H new ATOM 862 N PHE A 57 1.021 -6.711 -5.937 1.00 0.71 N ATOM 863 CA PHE A 57 -0.199 -7.415 -5.582 1.00 0.75 C ATOM 864 C PHE A 57 -1.260 -7.211 -6.660 1.00 0.78 C ATOM 865 O PHE A 57 -2.129 -8.061 -6.864 1.00 0.91 O ATOM 866 CB PHE A 57 -0.723 -6.944 -4.223 1.00 0.76 C ATOM 867 CG PHE A 57 -1.952 -7.686 -3.766 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.947 -9.067 -3.664 1.00 1.37 C ATOM 869 CD2 PHE A 57 -3.113 -7.001 -3.439 1.00 1.71 C ATOM 870 CE1 PHE A 57 -3.072 -9.750 -3.245 1.00 1.79 C ATOM 871 CE2 PHE A 57 -4.240 -7.679 -3.022 1.00 2.29 C ATOM 872 CZ PHE A 57 -4.216 -9.057 -2.920 1.00 2.20 C ATOM 0 H PHE A 57 1.145 -5.811 -5.473 1.00 0.71 H new ATOM 0 HA PHE A 57 0.028 -8.479 -5.510 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.063 -7.064 -3.477 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.950 -5.879 -4.279 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -1.052 -9.617 -3.915 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -3.135 -5.924 -3.512 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -3.054 -10.827 -3.172 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -5.139 -7.134 -2.776 1.00 2.29 H new ATOM 0 HZ PHE A 57 -5.094 -9.590 -2.586 1.00 2.20 H new ATOM 882 N GLU A 58 -1.156 -6.097 -7.373 1.00 0.73 N ATOM 883 CA GLU A 58 -2.162 -5.714 -8.353 1.00 0.82 C ATOM 884 C GLU A 58 -2.179 -6.652 -9.544 1.00 0.82 C ATOM 885 O GLU A 58 -3.184 -7.290 -9.789 1.00 0.89 O ATOM 886 CB GLU A 58 -1.941 -4.281 -8.813 1.00 0.86 C ATOM 887 CG GLU A 58 -1.940 -3.306 -7.661 1.00 0.91 C ATOM 888 CD GLU A 58 -1.748 -1.873 -8.098 1.00 0.93 C ATOM 889 OE1 GLU A 58 -2.304 -1.483 -9.150 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.063 -1.112 -7.385 1.00 1.24 O ATOM 0 H GLU A 58 -0.380 -5.440 -7.290 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.134 -5.785 -7.865 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -0.992 -4.214 -9.344 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.722 -4.004 -9.521 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.882 -3.391 -7.120 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.147 -3.577 -6.964 1.00 0.91 H new ATOM 897 N LEU A 59 -1.075 -6.755 -10.278 1.00 0.81 N ATOM 898 CA LEU A 59 -1.036 -7.627 -11.453 1.00 0.87 C ATOM 899 C LEU A 59 -1.419 -9.058 -11.085 1.00 0.85 C ATOM 900 O LEU A 59 -2.029 -9.773 -11.877 1.00 0.96 O ATOM 901 CB LEU A 59 0.335 -7.570 -12.160 1.00 0.96 C ATOM 902 CG LEU A 59 1.601 -7.952 -11.366 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.706 -7.228 -10.065 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.744 -9.442 -11.145 1.00 1.46 C ATOM 0 H LEU A 59 -0.207 -6.255 -10.087 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.776 -7.258 -12.163 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.283 -8.223 -13.031 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.473 -6.554 -12.530 1.00 0.96 H new ATOM 0 HG LEU A 59 2.428 -7.634 -12.000 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.616 -7.536 -9.550 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.739 -6.154 -10.248 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.840 -7.464 -9.446 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.655 -9.640 -10.581 1.00 1.46 H new ATOM 0 HD22 LEU A 59 0.884 -9.811 -10.587 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.796 -9.949 -12.108 1.00 1.46 H new ATOM 916 N ARG A 60 -1.051 -9.460 -9.878 1.00 0.83 N ATOM 917 CA ARG A 60 -1.489 -10.740 -9.327 1.00 0.90 C ATOM 918 C ARG A 60 -3.020 -10.827 -9.216 1.00 0.98 C ATOM 919 O ARG A 60 -3.650 -11.669 -9.854 1.00 1.15 O ATOM 920 CB ARG A 60 -0.861 -10.978 -7.944 1.00 1.03 C ATOM 921 CG ARG A 60 0.593 -11.417 -7.993 1.00 1.00 C ATOM 922 CD ARG A 60 1.202 -11.524 -6.599 1.00 1.07 C ATOM 923 NE ARG A 60 2.553 -12.080 -6.646 1.00 1.41 N ATOM 924 CZ ARG A 60 3.614 -11.536 -6.052 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.496 -10.403 -5.366 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.799 -12.121 -6.159 1.00 2.58 N ATOM 0 H ARG A 60 -0.449 -8.919 -9.258 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.155 -11.513 -10.019 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.933 -10.060 -7.361 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.441 -11.736 -7.418 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.664 -12.382 -8.495 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.167 -10.706 -8.586 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.229 -10.538 -6.136 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.570 -12.153 -5.972 1.00 1.07 H new ATOM 0 HE ARG A 60 2.693 -12.944 -7.170 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.588 -9.944 -5.292 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.313 -9.993 -4.914 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.895 -12.984 -6.694 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.614 -11.708 -5.706 1.00 2.58 H new ATOM 940 N TYR A 61 -3.603 -9.951 -8.403 1.00 1.04 N ATOM 941 CA TYR A 61 -5.010 -10.065 -8.015 1.00 1.26 C ATOM 942 C TYR A 61 -5.961 -9.271 -8.929 1.00 1.32 C ATOM 943 O TYR A 61 -7.176 -9.308 -8.735 1.00 1.59 O ATOM 944 CB TYR A 61 -5.175 -9.610 -6.563 1.00 1.52 C ATOM 945 CG TYR A 61 -6.344 -10.254 -5.853 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.311 -11.592 -5.480 1.00 2.70 C ATOM 947 CD2 TYR A 61 -7.485 -9.519 -5.558 1.00 2.84 C ATOM 948 CE1 TYR A 61 -7.382 -12.178 -4.832 1.00 3.67 C ATOM 949 CE2 TYR A 61 -8.559 -10.097 -4.911 1.00 3.86 C ATOM 950 CZ TYR A 61 -8.483 -11.454 -4.545 1.00 4.23 C ATOM 951 OH TYR A 61 -9.572 -12.000 -3.907 1.00 5.32 O ATOM 0 H TYR A 61 -3.121 -9.149 -7.997 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.287 -11.114 -8.121 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -4.260 -9.835 -6.015 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.301 -8.527 -6.543 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -5.435 -12.184 -5.700 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.533 -8.477 -5.840 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -7.337 -13.221 -4.554 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -9.443 -9.517 -4.689 1.00 3.86 H new ATOM 0 HH TYR A 61 -9.276 -12.723 -3.315 1.00 5.32 H new ATOM 961 N ARG A 62 -5.414 -8.544 -9.898 1.00 1.28 N ATOM 962 CA ARG A 62 -6.189 -7.600 -10.716 1.00 1.39 C ATOM 963 C ARG A 62 -7.423 -8.237 -11.349 1.00 1.07 C ATOM 964 O ARG A 62 -8.514 -7.659 -11.313 1.00 1.30 O ATOM 965 CB ARG A 62 -5.313 -6.981 -11.810 1.00 1.72 C ATOM 966 CG ARG A 62 -6.009 -5.870 -12.577 1.00 2.15 C ATOM 967 CD ARG A 62 -5.066 -5.176 -13.545 1.00 2.51 C ATOM 968 NE ARG A 62 -5.737 -4.094 -14.265 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.170 -2.925 -14.555 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.912 -2.685 -14.199 1.00 3.59 N ATOM 971 NH2 ARG A 62 -5.859 -1.996 -15.209 1.00 4.48 N ATOM 0 H ARG A 62 -4.425 -8.588 -10.143 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.534 -6.821 -10.036 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.403 -6.587 -11.358 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -5.010 -7.761 -12.508 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.855 -6.283 -13.127 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.411 -5.140 -11.874 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.212 -4.776 -12.999 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.676 -5.902 -14.258 1.00 2.51 H new ATOM 0 HE ARG A 62 -6.701 -4.245 -14.564 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.378 -3.398 -13.702 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.481 -1.788 -14.423 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -6.823 -2.178 -15.489 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -5.424 -1.100 -15.431 1.00 4.48 H new ATOM 985 N ARG A 63 -7.259 -9.420 -11.920 1.00 0.98 N ATOM 986 CA ARG A 63 -8.371 -10.098 -12.572 1.00 1.19 C ATOM 987 C ARG A 63 -9.401 -10.574 -11.553 1.00 1.20 C ATOM 988 O ARG A 63 -10.522 -10.923 -11.912 1.00 1.45 O ATOM 989 CB ARG A 63 -7.881 -11.284 -13.408 1.00 1.61 C ATOM 990 CG ARG A 63 -7.000 -10.886 -14.580 1.00 2.18 C ATOM 991 CD ARG A 63 -6.684 -12.079 -15.469 1.00 2.52 C ATOM 992 NE ARG A 63 -7.885 -12.621 -16.106 1.00 3.12 N ATOM 993 CZ ARG A 63 -8.042 -13.906 -16.427 1.00 3.84 C ATOM 994 NH1 ARG A 63 -7.075 -14.780 -16.172 1.00 4.07 N ATOM 995 NH2 ARG A 63 -9.163 -14.320 -17.006 1.00 4.72 N ATOM 0 H ARG A 63 -6.375 -9.928 -11.946 1.00 0.98 H new ATOM 0 HA ARG A 63 -8.846 -9.375 -13.235 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -7.326 -11.966 -12.764 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -8.744 -11.833 -13.784 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -7.500 -10.115 -15.167 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -6.072 -10.452 -14.208 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.970 -11.780 -16.236 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -6.206 -12.858 -14.875 1.00 2.52 H new ATOM 0 HE ARG A 63 -8.648 -11.977 -16.317 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -6.210 -14.469 -15.730 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -7.197 -15.762 -16.418 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -9.909 -13.654 -17.207 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -9.278 -15.304 -17.249 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.028 -10.577 -10.282 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.918 -11.048 -9.237 1.00 1.09 C ATOM 1011 C ALA A 64 -10.775 -9.923 -8.666 1.00 1.08 C ATOM 1012 O ALA A 64 -11.994 -9.970 -8.777 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.135 -11.734 -8.128 1.00 1.17 C ATOM 0 H ALA A 64 -8.117 -10.259 -9.952 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.591 -11.774 -9.693 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -9.823 -12.079 -7.356 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.594 -12.587 -8.538 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.426 -11.029 -7.694 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.141 -8.898 -8.089 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.863 -7.908 -7.274 1.00 1.22 C ATOM 1021 C PHE A 65 -11.994 -7.194 -8.027 1.00 1.19 C ATOM 1022 O PHE A 65 -12.982 -6.793 -7.417 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.907 -6.886 -6.625 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.053 -6.076 -7.570 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -9.641 -5.169 -8.437 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -7.678 -6.242 -7.618 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -8.875 -4.443 -9.327 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -6.906 -5.514 -8.502 1.00 2.44 C ATOM 1029 CZ PHE A 65 -7.458 -4.554 -9.264 1.00 2.81 C ATOM 0 H PHE A 65 -9.138 -8.730 -8.168 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.338 -8.486 -6.481 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -10.500 -6.197 -6.023 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.248 -7.420 -5.941 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.712 -5.028 -8.416 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -7.204 -6.950 -6.955 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -9.344 -3.802 -10.059 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -5.848 -5.718 -8.582 1.00 2.44 H new ATOM 0 HZ PHE A 65 -6.832 -3.874 -9.823 1.00 2.81 H new ATOM 1039 N SER A 66 -11.866 -7.038 -9.336 1.00 1.20 N ATOM 1040 CA SER A 66 -12.906 -6.366 -10.107 1.00 1.24 C ATOM 1041 C SER A 66 -13.932 -7.381 -10.619 1.00 1.13 C ATOM 1042 O SER A 66 -15.007 -7.018 -11.100 1.00 1.16 O ATOM 1043 CB SER A 66 -12.283 -5.589 -11.271 1.00 1.45 C ATOM 1044 OG SER A 66 -13.208 -4.671 -11.831 1.00 2.19 O ATOM 0 H SER A 66 -11.067 -7.361 -9.881 1.00 1.20 H new ATOM 0 HA SER A 66 -13.422 -5.659 -9.458 1.00 1.24 H new ATOM 0 HB2 SER A 66 -11.401 -5.052 -10.922 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.949 -6.286 -12.039 1.00 1.45 H new ATOM 0 HG SER A 66 -13.358 -3.933 -11.203 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.594 -8.654 -10.493 1.00 1.09 N ATOM 1051 CA ASP A 67 -14.435 -9.743 -10.981 1.00 1.08 C ATOM 1052 C ASP A 67 -15.386 -10.201 -9.898 1.00 0.97 C ATOM 1053 O ASP A 67 -16.594 -10.296 -10.096 1.00 1.01 O ATOM 1054 CB ASP A 67 -13.559 -10.922 -11.387 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.299 -11.948 -12.224 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -14.461 -11.729 -13.441 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -14.738 -12.975 -11.661 1.00 2.06 O ATOM 0 H ASP A 67 -12.729 -8.965 -10.050 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.005 -9.382 -11.837 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -12.701 -10.554 -11.949 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.170 -11.405 -10.490 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.807 -10.469 -8.743 1.00 0.89 N ATOM 1063 CA LEU A 68 -15.519 -11.034 -7.612 1.00 0.85 C ATOM 1064 C LEU A 68 -16.555 -10.106 -6.994 1.00 0.76 C ATOM 1065 O LEU A 68 -17.208 -10.511 -6.050 1.00 0.77 O ATOM 1066 CB LEU A 68 -14.597 -11.643 -6.538 1.00 0.91 C ATOM 1067 CG LEU A 68 -13.197 -11.087 -6.425 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -13.301 -9.702 -5.891 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -12.331 -11.959 -5.525 1.00 1.56 C ATOM 0 H LEU A 68 -13.818 -10.299 -8.561 1.00 0.89 H new ATOM 0 HA LEU A 68 -16.077 -11.859 -8.054 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -15.085 -11.526 -5.570 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -14.520 -12.713 -6.729 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.718 -11.076 -7.404 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.304 -9.272 -5.798 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.896 -9.093 -6.572 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -13.779 -9.725 -4.912 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -11.329 -11.535 -5.462 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -12.770 -12.002 -4.528 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -12.273 -12.965 -5.940 1.00 1.56 H new ATOM 1081 N THR A 69 -16.663 -8.862 -7.462 1.00 0.70 N ATOM 1082 CA THR A 69 -17.506 -7.841 -6.807 1.00 0.62 C ATOM 1083 C THR A 69 -18.897 -8.370 -6.427 1.00 0.63 C ATOM 1084 O THR A 69 -19.537 -7.849 -5.514 1.00 0.60 O ATOM 1085 CB THR A 69 -17.655 -6.590 -7.688 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.818 -6.969 -9.061 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.445 -5.683 -7.542 1.00 0.63 C ATOM 0 H THR A 69 -16.178 -8.529 -8.295 1.00 0.70 H new ATOM 0 HA THR A 69 -16.988 -7.575 -5.885 1.00 0.62 H new ATOM 0 HB THR A 69 -18.540 -6.044 -7.361 1.00 0.62 H new ATOM 0 HG1 THR A 69 -17.914 -6.165 -9.613 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.571 -4.804 -8.174 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.347 -5.371 -6.502 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.547 -6.222 -7.845 1.00 0.63 H new ATOM 1095 N SER A 70 -19.334 -9.411 -7.122 1.00 0.72 N ATOM 1096 CA SER A 70 -20.483 -10.211 -6.719 1.00 0.80 C ATOM 1097 C SER A 70 -20.421 -10.575 -5.225 1.00 0.76 C ATOM 1098 O SER A 70 -21.311 -10.217 -4.452 1.00 0.76 O ATOM 1099 CB SER A 70 -20.475 -11.481 -7.558 1.00 0.96 C ATOM 1100 OG SER A 70 -20.675 -11.181 -8.930 1.00 1.34 O ATOM 0 H SER A 70 -18.898 -9.727 -7.988 1.00 0.72 H new ATOM 0 HA SER A 70 -21.398 -9.639 -6.876 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.526 -12.001 -7.430 1.00 0.96 H new ATOM 0 HB3 SER A 70 -21.257 -12.156 -7.211 1.00 0.96 H new ATOM 0 HG SER A 70 -20.665 -12.011 -9.451 1.00 1.34 H new ATOM 1106 N GLN A 71 -19.356 -11.285 -4.849 1.00 0.77 N ATOM 1107 CA GLN A 71 -19.064 -11.666 -3.475 1.00 0.77 C ATOM 1108 C GLN A 71 -19.197 -10.487 -2.535 1.00 0.67 C ATOM 1109 O GLN A 71 -19.878 -10.547 -1.512 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.607 -12.125 -3.388 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.260 -13.425 -4.092 1.00 0.99 C ATOM 1112 CD GLN A 71 -17.877 -13.612 -5.455 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -17.213 -13.091 -6.449 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -18.949 -14.199 -5.601 1.00 1.42 N flip ATOM 0 H GLN A 71 -18.657 -11.618 -5.513 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.767 -12.450 -3.193 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.976 -11.336 -3.799 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.344 -12.227 -2.335 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -16.176 -13.485 -4.192 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -17.568 -14.255 -3.456 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -19.431 -14.590 -4.791 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -19.356 -14.295 -6.532 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.525 -9.418 -2.910 1.00 0.59 N ATOM 1124 CA LEU A 72 -18.300 -8.301 -2.026 1.00 0.55 C ATOM 1125 C LEU A 72 -19.541 -7.432 -1.906 1.00 0.47 C ATOM 1126 O LEU A 72 -19.677 -6.672 -0.955 1.00 0.48 O ATOM 1127 CB LEU A 72 -17.108 -7.482 -2.516 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.857 -8.305 -2.839 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -15.838 -8.705 -4.298 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.608 -7.534 -2.500 1.00 1.35 C ATOM 0 H LEU A 72 -18.120 -9.302 -3.839 1.00 0.59 H new ATOM 0 HA LEU A 72 -18.077 -8.689 -1.032 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.405 -6.931 -3.409 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.854 -6.743 -1.756 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.886 -9.209 -2.230 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -14.941 -9.288 -4.504 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -16.720 -9.305 -4.522 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.840 -7.810 -4.921 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.732 -8.138 -2.738 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.581 -6.612 -3.080 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.606 -7.294 -1.437 1.00 1.35 H new ATOM 1142 N HIS A 73 -20.444 -7.552 -2.874 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.674 -6.766 -2.881 1.00 0.48 C ATOM 1144 C HIS A 73 -21.322 -5.290 -2.780 1.00 0.43 C ATOM 1145 O HIS A 73 -21.841 -4.556 -1.942 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.601 -7.199 -1.732 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.961 -6.571 -1.772 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -24.421 -5.695 -0.811 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -24.969 -6.703 -2.665 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.648 -5.317 -1.114 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -26.001 -5.914 -2.232 1.00 2.62 N ATOM 0 H HIS A 73 -20.347 -8.188 -3.666 1.00 0.48 H new ATOM 0 HA HIS A 73 -22.212 -6.938 -3.814 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -22.712 -8.283 -1.758 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.126 -6.951 -0.783 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -24.961 -7.316 -3.554 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -26.259 -4.634 -0.542 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -26.900 -5.806 -2.701 1.00 2.62 H new ATOM 1160 N ILE A 74 -20.405 -4.894 -3.643 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.882 -3.544 -3.674 1.00 0.41 C ATOM 1162 C ILE A 74 -20.994 -2.524 -3.870 1.00 0.49 C ATOM 1163 O ILE A 74 -21.546 -2.370 -4.962 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.834 -3.435 -4.783 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.718 -4.443 -4.510 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.282 -2.025 -4.861 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.884 -4.111 -3.289 1.00 0.39 C ATOM 0 H ILE A 74 -19.999 -5.508 -4.349 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.413 -3.324 -2.715 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.296 -3.660 -5.744 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -18.157 -5.432 -4.381 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -17.066 -4.495 -5.382 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.538 -1.969 -5.656 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.093 -1.328 -5.073 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.817 -1.763 -3.910 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -16.112 -4.870 -3.158 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.415 -3.136 -3.423 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.524 -4.088 -2.407 1.00 0.39 H new ATOM 1179 N THR A 75 -21.304 -1.844 -2.788 1.00 0.38 N ATOM 1180 CA THR A 75 -22.469 -0.999 -2.694 1.00 0.40 C ATOM 1181 C THR A 75 -22.141 0.111 -1.672 1.00 0.37 C ATOM 1182 O THR A 75 -20.962 0.278 -1.353 1.00 0.34 O ATOM 1183 CB THR A 75 -23.674 -1.900 -2.270 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.905 -1.433 -2.838 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.806 -2.003 -0.753 1.00 0.46 C ATOM 0 H THR A 75 -20.743 -1.865 -1.936 1.00 0.38 H new ATOM 0 HA THR A 75 -22.739 -0.519 -3.634 1.00 0.40 H new ATOM 0 HB THR A 75 -23.466 -2.896 -2.660 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.638 -2.018 -2.555 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.656 -2.638 -0.504 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.896 -2.435 -0.337 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.961 -1.009 -0.333 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.122 0.932 -1.219 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.013 1.786 -0.033 1.00 0.37 C ATOM 1195 C PRO A 76 -22.074 1.265 1.065 1.00 0.35 C ATOM 1196 O PRO A 76 -21.697 0.095 1.078 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.451 1.810 0.476 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.313 1.557 -0.723 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.406 1.188 -1.870 1.00 0.44 C ATOM 0 HA PRO A 76 -22.580 2.753 -0.288 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.609 1.047 1.239 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.688 2.771 0.932 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -26.022 0.754 -0.522 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.898 2.444 -0.968 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.769 0.309 -2.402 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.333 1.994 -2.600 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.746 2.178 1.986 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.732 1.993 3.032 1.00 0.37 C ATOM 1209 C GLY A 77 -20.482 0.576 3.526 1.00 0.38 C ATOM 1210 O GLY A 77 -19.349 0.251 3.865 1.00 0.40 O ATOM 0 H GLY A 77 -22.192 3.094 2.026 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.788 2.391 2.659 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.018 2.602 3.889 1.00 0.37 H new ATOM 1214 N THR A 78 -21.506 -0.269 3.548 1.00 0.40 N ATOM 1215 CA THR A 78 -21.385 -1.623 4.075 1.00 0.42 C ATOM 1216 C THR A 78 -20.426 -2.489 3.257 1.00 0.38 C ATOM 1217 O THR A 78 -20.237 -3.669 3.554 1.00 0.40 O ATOM 1218 CB THR A 78 -22.754 -2.310 4.152 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.415 -2.239 2.879 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.602 -1.646 5.215 1.00 0.56 C ATOM 0 H THR A 78 -22.438 -0.037 3.204 1.00 0.40 H new ATOM 0 HA THR A 78 -20.972 -1.522 5.078 1.00 0.42 H new ATOM 0 HB THR A 78 -22.611 -3.358 4.414 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.287 -2.682 2.938 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.573 -2.138 5.265 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.104 -1.727 6.181 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.741 -0.594 4.965 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.793 -1.891 2.256 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.730 -2.552 1.525 1.00 0.31 C ATOM 1230 C ALA A 79 -17.508 -2.708 2.427 1.00 0.30 C ATOM 1231 O ALA A 79 -16.591 -3.476 2.133 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.389 -1.768 0.268 1.00 0.32 C ATOM 0 H ALA A 79 -20.001 -0.946 1.934 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.062 -3.544 1.219 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.589 -2.275 -0.272 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.271 -1.701 -0.369 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.062 -0.765 0.542 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.516 -1.981 3.547 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.466 -2.109 4.550 1.00 0.36 C ATOM 1240 C TYR A 80 -16.629 -3.424 5.286 1.00 0.36 C ATOM 1241 O TYR A 80 -15.695 -3.922 5.893 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.497 -0.942 5.552 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.532 -1.080 6.657 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.826 -0.599 6.487 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -17.215 -1.680 7.866 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.767 -0.715 7.491 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -18.151 -1.803 8.872 1.00 2.52 C ATOM 1248 CZ TYR A 80 -19.425 -1.347 8.675 1.00 3.12 C ATOM 1249 OH TYR A 80 -20.353 -1.430 9.687 1.00 4.13 O ATOM 0 H TYR A 80 -18.239 -1.299 3.778 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.503 -2.085 4.040 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.511 -0.845 6.007 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.689 -0.018 5.007 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -19.099 -0.127 5.555 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -16.216 -2.058 8.023 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.761 -0.316 7.354 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.878 -2.258 9.813 1.00 2.52 H new ATOM 0 HH TYR A 80 -19.962 -1.903 10.451 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.834 -3.972 5.229 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.122 -5.262 5.835 1.00 0.41 C ATOM 1261 C GLN A 81 -17.619 -6.379 4.935 1.00 0.41 C ATOM 1262 O GLN A 81 -17.228 -7.446 5.397 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.625 -5.400 6.101 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.093 -4.658 7.342 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.603 -4.519 7.412 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.344 -5.331 6.856 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.071 -3.495 8.110 1.00 0.79 N ATOM 0 H GLN A 81 -18.633 -3.539 4.766 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.605 -5.333 6.792 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.174 -5.028 5.236 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.872 -6.457 6.205 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.740 -5.184 8.229 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.641 -3.666 7.359 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.425 -2.844 8.556 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.078 -3.358 8.202 1.00 0.79 H new ATOM 1276 N SER A 82 -17.623 -6.099 3.650 1.00 0.39 N ATOM 1277 CA SER A 82 -17.054 -6.986 2.648 1.00 0.41 C ATOM 1278 C SER A 82 -15.537 -6.982 2.777 1.00 0.41 C ATOM 1279 O SER A 82 -14.886 -8.025 2.845 1.00 0.48 O ATOM 1280 CB SER A 82 -17.468 -6.471 1.275 1.00 0.41 C ATOM 1281 OG SER A 82 -18.799 -5.981 1.324 1.00 0.43 O ATOM 0 H SER A 82 -18.023 -5.244 3.264 1.00 0.39 H new ATOM 0 HA SER A 82 -17.412 -8.006 2.785 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.791 -5.679 0.955 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.393 -7.271 0.539 1.00 0.41 H new ATOM 0 HG SER A 82 -19.133 -5.848 0.412 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.004 -5.773 2.833 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.585 -5.527 3.035 1.00 0.37 C ATOM 1289 C PHE A 83 -13.162 -5.923 4.450 1.00 0.38 C ATOM 1290 O PHE A 83 -11.979 -6.089 4.737 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.315 -4.041 2.730 1.00 0.36 C ATOM 1292 CG PHE A 83 -12.419 -3.312 3.697 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -12.927 -2.778 4.866 1.00 0.75 C ATOM 1294 CD2 PHE A 83 -11.060 -3.185 3.443 1.00 0.79 C ATOM 1295 CE1 PHE A 83 -12.103 -2.127 5.762 1.00 1.05 C ATOM 1296 CE2 PHE A 83 -10.231 -2.537 4.336 1.00 1.07 C ATOM 1297 CZ PHE A 83 -10.780 -1.933 5.467 1.00 1.18 C ATOM 0 H PHE A 83 -15.554 -4.920 2.738 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.986 -6.140 2.362 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -12.874 -3.971 1.736 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -14.272 -3.520 2.692 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -13.981 -2.871 5.081 1.00 0.75 H new ATOM 0 HD2 PHE A 83 -10.646 -3.599 2.535 1.00 0.79 H new ATOM 0 HE1 PHE A 83 -12.503 -1.769 6.699 1.00 1.05 H new ATOM 0 HE2 PHE A 83 -9.166 -2.498 4.161 1.00 1.07 H new ATOM 0 HZ PHE A 83 -10.166 -1.316 6.106 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.134 -6.075 5.323 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.867 -6.473 6.695 1.00 0.48 C ATOM 1309 C GLU A 84 -13.424 -7.920 6.759 1.00 0.52 C ATOM 1310 O GLU A 84 -12.400 -8.242 7.354 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.107 -6.319 7.559 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.884 -6.793 8.978 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.032 -6.467 9.908 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.104 -7.095 9.778 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -15.861 -5.594 10.786 1.00 0.80 O ATOM 0 H GLU A 84 -15.121 -5.929 5.110 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.075 -5.824 7.068 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.410 -5.272 7.572 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.928 -6.883 7.115 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.726 -7.871 8.972 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -13.972 -6.339 9.366 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.232 -8.776 6.151 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.996 -10.221 6.115 1.00 0.65 C ATOM 1324 C GLN A 85 -12.559 -10.531 5.776 1.00 0.64 C ATOM 1325 O GLN A 85 -11.927 -11.417 6.352 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.884 -10.851 5.043 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.316 -10.385 5.111 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.202 -10.978 4.031 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.747 -11.294 2.934 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.481 -11.126 4.334 1.00 1.62 N ATOM 0 H GLN A 85 -15.080 -8.489 5.662 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.226 -10.624 7.101 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.478 -10.615 4.059 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.856 -11.936 5.148 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.727 -10.642 6.087 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.339 -9.298 5.032 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.822 -10.852 5.256 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -19.126 -11.514 3.646 1.00 1.62 H new ATOM 1339 N VAL A 86 -12.066 -9.762 4.851 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.770 -9.966 4.269 1.00 0.62 C ATOM 1341 C VAL A 86 -9.674 -9.291 5.084 1.00 0.55 C ATOM 1342 O VAL A 86 -8.649 -9.902 5.393 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.784 -9.438 2.844 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -11.547 -8.156 2.780 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -9.382 -9.287 2.308 1.00 1.30 C ATOM 0 H VAL A 86 -12.564 -8.957 4.471 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.549 -11.033 4.266 1.00 0.62 H new ATOM 0 HB VAL A 86 -11.290 -10.162 2.205 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -11.551 -7.786 1.755 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -12.572 -8.326 3.109 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -11.075 -7.419 3.430 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -9.422 -8.908 1.287 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -8.827 -8.588 2.933 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -8.883 -10.256 2.316 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.903 -8.030 5.441 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.929 -7.262 6.220 1.00 0.51 C ATOM 1357 C VAL A 87 -8.713 -7.923 7.571 1.00 0.56 C ATOM 1358 O VAL A 87 -7.661 -7.793 8.198 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.385 -5.796 6.430 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.517 -5.691 7.446 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.211 -4.935 6.847 1.00 0.85 C ATOM 0 H VAL A 87 -10.752 -7.517 5.205 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.996 -7.247 5.657 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.771 -5.432 5.478 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.806 -4.646 7.563 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.374 -6.267 7.097 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.182 -6.084 8.406 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.546 -3.908 6.991 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.794 -5.315 7.780 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.446 -4.962 6.071 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.726 -8.659 7.982 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.707 -9.398 9.229 1.00 0.71 C ATOM 1373 C ASN A 88 -8.606 -10.442 9.215 1.00 0.78 C ATOM 1374 O ASN A 88 -7.839 -10.570 10.173 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.071 -10.047 9.433 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.831 -9.422 10.579 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.755 -9.876 11.719 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.563 -8.364 10.283 1.00 0.73 N ATOM 0 H ASN A 88 -10.593 -8.762 7.455 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.502 -8.719 10.056 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.656 -9.956 8.518 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -10.940 -11.112 9.623 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.094 -7.890 11.014 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.598 -8.020 9.323 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.507 -11.156 8.104 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.512 -12.190 7.931 1.00 0.84 C ATOM 1387 C GLU A 89 -6.161 -11.570 7.774 1.00 0.82 C ATOM 1388 O GLU A 89 -5.155 -12.072 8.279 1.00 0.98 O ATOM 1389 CB GLU A 89 -7.808 -12.963 6.671 1.00 0.87 C ATOM 1390 CG GLU A 89 -9.176 -13.566 6.643 1.00 1.25 C ATOM 1391 CD GLU A 89 -9.529 -14.324 7.909 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -9.240 -15.534 7.987 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -10.102 -13.706 8.832 1.00 2.87 O ATOM 0 H GLU A 89 -9.119 -11.030 7.298 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.532 -12.845 8.802 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.695 -12.300 5.813 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -7.069 -13.756 6.560 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.910 -12.775 6.486 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.249 -14.243 5.792 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.166 -10.456 7.069 1.00 0.69 N ATOM 1401 CA LEU A 90 -4.954 -9.795 6.672 1.00 0.64 C ATOM 1402 C LEU A 90 -4.107 -9.383 7.879 1.00 0.70 C ATOM 1403 O LEU A 90 -2.908 -9.145 7.755 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.294 -8.587 5.821 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.477 -8.895 4.337 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -6.073 -7.712 3.634 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -4.156 -9.271 3.696 1.00 1.28 C ATOM 0 H LEU A 90 -7.017 -9.988 6.758 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.358 -10.497 6.089 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.210 -8.135 6.202 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.503 -7.845 5.931 1.00 0.56 H new ATOM 0 HG LEU A 90 -6.155 -9.743 4.245 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -6.199 -7.943 2.576 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -7.043 -7.479 4.073 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.410 -6.853 3.741 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.313 -9.486 2.639 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.454 -8.444 3.798 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -3.750 -10.154 4.190 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.742 -9.320 9.045 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.073 -8.881 10.262 1.00 0.82 C ATOM 1421 C PHE A 91 -3.767 -10.051 11.182 1.00 0.91 C ATOM 1422 O PHE A 91 -2.747 -10.079 11.869 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.941 -7.869 11.005 1.00 0.88 C ATOM 1424 CG PHE A 91 -4.357 -7.399 12.311 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -3.435 -6.362 12.340 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -4.729 -7.989 13.507 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -2.899 -5.924 13.537 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -4.196 -7.556 14.707 1.00 2.30 C ATOM 1429 CZ PHE A 91 -3.274 -6.540 14.725 1.00 2.23 C ATOM 0 H PHE A 91 -5.723 -9.569 9.172 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.132 -8.416 9.970 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -5.105 -7.005 10.361 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.917 -8.315 11.195 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -3.132 -5.891 11.416 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -5.445 -8.798 13.503 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -2.192 -5.107 13.549 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -4.506 -8.019 15.632 1.00 2.30 H new ATOM 0 HZ PHE A 91 -2.840 -6.220 15.661 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.655 -11.008 11.201 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.564 -12.094 12.159 1.00 1.11 C ATOM 1441 C ARG A 92 -3.629 -13.190 11.671 1.00 0.83 C ATOM 1442 O ARG A 92 -2.901 -13.795 12.452 1.00 0.90 O ATOM 1443 CB ARG A 92 -5.951 -12.660 12.399 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.480 -13.451 11.225 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.982 -13.416 11.164 1.00 2.21 C ATOM 1446 NE ARG A 92 -8.605 -14.110 12.289 1.00 3.27 N ATOM 1447 CZ ARG A 92 -9.919 -14.297 12.419 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -10.739 -14.017 11.413 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -10.405 -14.818 13.540 1.00 5.06 N ATOM 0 H ARG A 92 -5.452 -11.064 10.567 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.154 -11.703 13.090 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -5.928 -13.301 13.280 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.638 -11.842 12.618 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.068 -13.048 10.299 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.143 -14.485 11.301 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.318 -12.379 11.150 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.315 -13.871 10.231 1.00 2.21 H new ATOM 0 HE ARG A 92 -7.996 -14.475 13.022 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.365 -13.657 10.535 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.743 -14.162 11.518 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -9.774 -15.074 14.299 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -11.410 -14.962 13.642 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.650 -13.430 10.375 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.962 -14.579 9.812 1.00 1.10 C ATOM 1465 C ASP A 93 -1.568 -14.231 9.291 1.00 1.31 C ATOM 1466 O ASP A 93 -1.015 -14.964 8.473 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.807 -15.199 8.692 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.411 -16.633 8.389 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.446 -17.478 9.305 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -3.064 -16.924 7.223 1.00 3.12 O ATOM 0 H ASP A 93 -4.134 -12.847 9.692 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.830 -15.302 10.617 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.859 -15.169 8.976 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.703 -14.598 7.788 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.969 -13.137 9.757 1.00 1.11 N ATOM 1476 CA GLY A 94 0.384 -12.872 9.316 1.00 1.69 C ATOM 1477 C GLY A 94 0.647 -11.471 8.796 1.00 1.62 C ATOM 1478 O GLY A 94 0.833 -11.296 7.596 1.00 2.31 O ATOM 0 H GLY A 94 -1.375 -12.459 10.402 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.061 -13.063 10.148 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.636 -13.584 8.530 1.00 1.69 H new ATOM 1482 N VAL A 95 0.611 -10.458 9.653 1.00 0.85 N ATOM 1483 CA VAL A 95 0.979 -9.112 9.221 1.00 0.67 C ATOM 1484 C VAL A 95 2.488 -8.976 9.064 1.00 0.62 C ATOM 1485 O VAL A 95 3.235 -8.882 10.036 1.00 0.61 O ATOM 1486 CB VAL A 95 0.501 -8.013 10.197 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.881 -6.625 9.690 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -0.988 -8.100 10.418 1.00 1.06 C ATOM 0 H VAL A 95 0.337 -10.537 10.632 1.00 0.85 H new ATOM 0 HA VAL A 95 0.480 -8.971 8.262 1.00 0.67 H new ATOM 0 HB VAL A 95 1.002 -8.178 11.151 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.532 -5.872 10.396 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.965 -6.557 9.593 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.418 -6.453 8.718 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.300 -7.316 11.108 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.505 -7.973 9.467 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.237 -9.074 10.839 1.00 1.06 H new ATOM 1498 N ASN A 96 2.914 -9.023 7.822 1.00 0.76 N ATOM 1499 CA ASN A 96 4.295 -8.767 7.447 1.00 0.86 C ATOM 1500 C ASN A 96 4.347 -7.462 6.669 1.00 0.72 C ATOM 1501 O ASN A 96 3.329 -6.779 6.539 1.00 0.62 O ATOM 1502 CB ASN A 96 4.832 -9.901 6.569 1.00 1.17 C ATOM 1503 CG ASN A 96 4.177 -11.223 6.882 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.056 -11.475 6.228 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.662 -12.001 7.702 1.00 1.67 N flip ATOM 0 H ASN A 96 2.308 -9.242 7.031 1.00 0.76 H new ATOM 0 HA ASN A 96 4.909 -8.704 8.345 1.00 0.86 H new ATOM 0 HB2 ASN A 96 4.667 -9.655 5.520 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.909 -9.989 6.710 1.00 1.17 H new ATOM 0 HD21 ASN A 96 5.530 -11.761 8.181 1.00 1.67 H new ATOM 0 HD22 ASN A 96 4.196 -12.886 7.903 1.00 1.67 H new ATOM 1512 N TRP A 97 5.508 -7.136 6.124 1.00 0.77 N ATOM 1513 CA TRP A 97 5.652 -5.940 5.306 1.00 0.72 C ATOM 1514 C TRP A 97 4.765 -6.009 4.063 1.00 0.63 C ATOM 1515 O TRP A 97 3.933 -5.131 3.835 1.00 0.59 O ATOM 1516 CB TRP A 97 7.114 -5.735 4.906 1.00 0.86 C ATOM 1517 CG TRP A 97 7.986 -5.288 6.040 1.00 0.68 C ATOM 1518 CD1 TRP A 97 9.207 -5.789 6.388 1.00 0.83 C ATOM 1519 CD2 TRP A 97 7.697 -4.250 6.982 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.701 -5.116 7.479 1.00 0.99 N ATOM 1521 CE2 TRP A 97 8.789 -4.168 7.864 1.00 1.60 C ATOM 1522 CE3 TRP A 97 6.619 -3.376 7.162 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 8.833 -3.251 8.909 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 6.664 -2.469 8.200 1.00 3.24 C ATOM 1525 CH2 TRP A 97 7.764 -2.413 9.061 1.00 3.34 C ATOM 0 H TRP A 97 6.363 -7.681 6.232 1.00 0.77 H new ATOM 0 HA TRP A 97 5.330 -5.087 5.903 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.506 -6.668 4.502 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.164 -4.996 4.106 1.00 0.86 H new ATOM 0 HD1 TRP A 97 9.712 -6.597 5.879 1.00 0.83 H new ATOM 0 HE1 TRP A 97 10.599 -5.293 7.929 1.00 0.99 H new ATOM 0 HE3 TRP A 97 5.767 -3.411 6.500 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 9.681 -3.203 9.576 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 5.837 -1.791 8.350 1.00 3.24 H new ATOM 0 HH2 TRP A 97 7.769 -1.691 9.864 1.00 3.34 H new ATOM 1536 N GLY A 98 4.926 -7.073 3.280 1.00 0.69 N ATOM 1537 CA GLY A 98 4.159 -7.221 2.050 1.00 0.69 C ATOM 1538 C GLY A 98 2.684 -7.488 2.296 1.00 0.62 C ATOM 1539 O GLY A 98 1.861 -7.344 1.397 1.00 0.61 O ATOM 0 H GLY A 98 5.574 -7.837 3.474 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.263 -6.315 1.453 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.577 -8.039 1.464 1.00 0.69 H new ATOM 1543 N ARG A 99 2.349 -7.862 3.521 1.00 0.65 N ATOM 1544 CA ARG A 99 0.965 -8.147 3.886 1.00 0.67 C ATOM 1545 C ARG A 99 0.141 -6.867 3.905 1.00 0.53 C ATOM 1546 O ARG A 99 -0.986 -6.827 3.414 1.00 0.55 O ATOM 1547 CB ARG A 99 0.915 -8.792 5.267 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.492 -9.046 5.779 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.190 -10.147 4.999 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.654 -11.470 5.306 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.182 -12.605 4.856 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.235 -12.575 4.053 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -0.651 -13.771 5.201 1.00 4.24 N ATOM 0 H ARG A 99 3.017 -7.976 4.283 1.00 0.65 H new ATOM 0 HA ARG A 99 0.549 -8.828 3.144 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.455 -9.738 5.235 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.438 -8.150 5.976 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.451 -9.319 6.833 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -1.075 -8.127 5.710 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.256 -10.128 5.224 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.086 -9.954 3.931 1.00 1.50 H new ATOM 0 HE ARG A 99 0.173 -11.527 5.900 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -2.642 -11.681 3.779 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -2.639 -13.446 3.709 1.00 3.44 H new ATOM 0 HH21 ARG A 99 0.164 -13.799 5.813 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -1.058 -14.639 4.854 1.00 4.24 H new ATOM 1567 N ILE A 100 0.721 -5.827 4.477 1.00 0.44 N ATOM 1568 CA ILE A 100 0.025 -4.567 4.668 1.00 0.36 C ATOM 1569 C ILE A 100 -0.252 -3.876 3.334 1.00 0.33 C ATOM 1570 O ILE A 100 -1.299 -3.259 3.155 1.00 0.34 O ATOM 1571 CB ILE A 100 0.832 -3.648 5.612 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.854 -4.260 7.015 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.247 -2.247 5.649 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.618 -3.446 8.035 1.00 0.34 C ATOM 0 H ILE A 100 1.681 -5.831 4.820 1.00 0.44 H new ATOM 0 HA ILE A 100 -0.939 -4.778 5.131 1.00 0.36 H new ATOM 0 HB ILE A 100 1.852 -3.566 5.235 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.172 -4.384 7.361 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.294 -5.256 6.958 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.837 -1.624 6.322 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.266 -1.818 4.647 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.782 -2.292 6.005 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.584 -3.949 9.001 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.655 -3.343 7.715 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.166 -2.458 8.125 1.00 0.34 H new ATOM 1586 N VAL A 101 0.670 -4.019 2.390 1.00 0.33 N ATOM 1587 CA VAL A 101 0.512 -3.424 1.066 1.00 0.35 C ATOM 1588 C VAL A 101 -0.739 -3.978 0.365 1.00 0.37 C ATOM 1589 O VAL A 101 -1.366 -3.292 -0.442 1.00 0.45 O ATOM 1590 CB VAL A 101 1.759 -3.663 0.184 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.010 -3.771 1.037 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.591 -4.878 -0.684 1.00 1.32 C ATOM 0 H VAL A 101 1.536 -4.542 2.516 1.00 0.33 H new ATOM 0 HA VAL A 101 0.394 -2.349 1.205 1.00 0.35 H new ATOM 0 HB VAL A 101 1.871 -2.802 -0.475 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.875 -3.939 0.395 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.149 -2.847 1.598 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.906 -4.605 1.731 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.485 -5.018 -1.291 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.438 -5.756 -0.056 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.727 -4.743 -1.335 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.100 -5.219 0.698 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.298 -5.853 0.152 1.00 0.39 C ATOM 1604 C ALA A 102 -3.533 -5.086 0.569 1.00 0.35 C ATOM 1605 O ALA A 102 -4.408 -4.786 -0.244 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.409 -7.290 0.632 1.00 0.44 C ATOM 0 H ALA A 102 -0.576 -5.806 1.347 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.219 -5.847 -0.935 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.307 -7.745 0.215 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.533 -7.851 0.306 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.466 -7.307 1.720 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.573 -4.773 1.854 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.646 -4.003 2.455 1.00 0.34 C ATOM 1614 C PHE A 103 -4.866 -2.685 1.710 1.00 0.31 C ATOM 1615 O PHE A 103 -6.000 -2.247 1.522 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.301 -3.768 3.928 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.125 -2.718 4.609 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.482 -2.891 4.795 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.528 -1.559 5.075 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.232 -1.927 5.434 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.273 -0.591 5.712 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.627 -0.777 5.892 1.00 1.49 C ATOM 0 H PHE A 103 -2.850 -5.052 2.517 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.583 -4.556 2.385 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.418 -4.708 4.468 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.250 -3.488 4.000 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.961 -3.790 4.436 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.467 -1.412 4.938 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.293 -2.073 5.575 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.798 0.311 6.069 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.214 -0.021 6.392 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.778 -2.073 1.266 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.859 -0.833 0.508 1.00 0.40 C ATOM 1634 C PHE A 104 -4.292 -1.095 -0.927 1.00 0.39 C ATOM 1635 O PHE A 104 -5.078 -0.339 -1.494 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.514 -0.114 0.514 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.150 0.458 1.848 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -1.713 -0.363 2.868 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -2.243 1.816 2.083 1.00 1.79 C ATOM 1640 CE1 PHE A 104 -1.378 0.161 4.097 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -1.909 2.344 3.311 1.00 2.90 C ATOM 1642 CZ PHE A 104 -1.476 1.520 4.315 1.00 3.29 C ATOM 0 H PHE A 104 -2.829 -2.415 1.417 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.606 -0.200 0.987 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.737 -0.811 0.202 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.537 0.689 -0.223 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.633 -1.427 2.701 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -2.582 2.472 1.295 1.00 1.79 H new ATOM 0 HE1 PHE A 104 -1.039 -0.491 4.889 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -1.989 3.407 3.482 1.00 2.90 H new ATOM 0 HZ PHE A 104 -1.211 1.933 5.277 1.00 3.29 H new ATOM 1652 N SER A 105 -3.779 -2.173 -1.501 1.00 0.37 N ATOM 1653 CA SER A 105 -4.050 -2.501 -2.890 1.00 0.44 C ATOM 1654 C SER A 105 -5.537 -2.772 -3.117 1.00 0.40 C ATOM 1655 O SER A 105 -6.170 -2.122 -3.953 1.00 0.45 O ATOM 1656 CB SER A 105 -3.204 -3.702 -3.319 1.00 0.50 C ATOM 1657 OG SER A 105 -3.331 -3.957 -4.707 1.00 1.19 O ATOM 0 H SER A 105 -3.170 -2.837 -1.023 1.00 0.37 H new ATOM 0 HA SER A 105 -3.778 -1.643 -3.505 1.00 0.44 H new ATOM 0 HB2 SER A 105 -2.158 -3.517 -3.076 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.510 -4.584 -2.756 1.00 0.50 H new ATOM 0 HG SER A 105 -2.663 -4.620 -4.980 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.109 -3.700 -2.353 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.510 -4.056 -2.547 1.00 0.37 C ATOM 1665 C PHE A 106 -8.418 -2.987 -1.949 1.00 0.31 C ATOM 1666 O PHE A 106 -9.566 -2.849 -2.355 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.829 -5.436 -1.955 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.232 -5.428 -0.507 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -7.282 -5.367 0.495 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.570 -5.488 -0.152 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -7.657 -5.362 1.823 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -9.950 -5.484 1.175 1.00 2.53 C ATOM 1673 CZ PHE A 106 -8.991 -5.422 2.164 1.00 2.89 C ATOM 0 H PHE A 106 -5.634 -4.210 -1.608 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.695 -4.110 -3.620 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -8.632 -5.888 -2.538 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -6.953 -6.075 -2.069 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -6.235 -5.323 0.236 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -10.325 -5.539 -0.923 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -6.904 -5.311 2.596 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -10.996 -5.529 1.438 1.00 2.53 H new ATOM 0 HZ PHE A 106 -9.285 -5.420 3.203 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.895 -2.233 -0.988 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.636 -1.112 -0.446 1.00 0.28 C ATOM 1685 C GLY A 107 -8.776 -0.013 -1.475 1.00 0.24 C ATOM 1686 O GLY A 107 -9.859 0.543 -1.667 1.00 0.27 O ATOM 0 H GLY A 107 -6.973 -2.379 -0.576 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.623 -1.444 -0.125 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.127 -0.727 0.437 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.677 0.279 -2.156 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.705 1.244 -3.229 1.00 0.22 C ATOM 1692 C GLY A 108 -8.560 0.765 -4.386 1.00 0.22 C ATOM 1693 O GLY A 108 -9.176 1.563 -5.094 1.00 0.23 O ATOM 0 H GLY A 108 -6.763 -0.139 -1.981 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -8.093 2.192 -2.857 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.690 1.430 -3.579 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.597 -0.548 -4.573 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.426 -1.160 -5.601 1.00 0.26 C ATOM 1699 C ALA A 109 -10.892 -1.174 -5.176 1.00 0.27 C ATOM 1700 O ALA A 109 -11.793 -1.125 -6.016 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.944 -2.571 -5.895 1.00 0.29 C ATOM 0 H ALA A 109 -8.057 -1.214 -4.020 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.341 -0.565 -6.511 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.573 -3.017 -6.666 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.912 -2.538 -6.243 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -9.001 -3.172 -4.987 1.00 0.29 H new ATOM 1707 N LEU A 110 -11.117 -1.229 -3.865 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.465 -1.214 -3.301 1.00 0.28 C ATOM 1709 C LEU A 110 -13.106 0.117 -3.648 1.00 0.24 C ATOM 1710 O LEU A 110 -14.279 0.204 -4.020 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.385 -1.379 -1.779 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.476 -2.240 -1.130 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.856 -1.640 -1.336 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.424 -3.661 -1.670 1.00 1.12 C ATOM 0 H LEU A 110 -10.375 -1.285 -3.167 1.00 0.25 H new ATOM 0 HA LEU A 110 -13.060 -2.032 -3.708 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.416 -1.812 -1.532 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.416 -0.388 -1.325 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.284 -2.266 -0.057 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.604 -2.277 -0.863 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.891 -0.646 -0.890 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -15.065 -1.566 -2.403 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -14.205 -4.258 -1.199 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.580 -3.646 -2.749 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.450 -4.098 -1.450 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.286 1.145 -3.519 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.616 2.494 -3.934 1.00 0.19 C ATOM 1728 C CYS A 111 -13.159 2.509 -5.358 1.00 0.20 C ATOM 1729 O CYS A 111 -14.240 3.036 -5.613 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.348 3.333 -3.835 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.470 4.975 -4.553 1.00 0.22 S ATOM 0 H CYS A 111 -11.353 1.062 -3.114 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.394 2.903 -3.289 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -11.076 3.431 -2.784 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.536 2.797 -4.326 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.401 5.656 -4.263 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.424 1.893 -6.275 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.806 1.895 -7.677 1.00 0.22 C ATOM 1739 C VAL A 112 -14.109 1.130 -7.915 1.00 0.22 C ATOM 1740 O VAL A 112 -14.948 1.575 -8.693 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.706 1.310 -8.576 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -12.209 1.186 -10.001 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.466 2.184 -8.533 1.00 0.27 C ATOM 0 H VAL A 112 -11.562 1.387 -6.071 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.957 2.941 -7.943 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.445 0.319 -8.206 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.422 0.770 -10.630 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -13.077 0.528 -10.024 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.490 2.171 -10.375 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.696 1.756 -9.175 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.715 3.186 -8.883 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -10.095 2.239 -7.510 1.00 0.27 H new ATOM 1753 N GLU A 113 -14.290 -0.012 -7.252 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.524 -0.776 -7.407 1.00 0.28 C ATOM 1755 C GLU A 113 -16.719 0.033 -6.912 1.00 0.23 C ATOM 1756 O GLU A 113 -17.857 -0.188 -7.329 1.00 0.29 O ATOM 1757 CB GLU A 113 -15.437 -2.119 -6.704 1.00 0.40 C ATOM 1758 CG GLU A 113 -14.470 -3.064 -7.388 1.00 0.53 C ATOM 1759 CD GLU A 113 -14.458 -2.914 -8.904 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -15.491 -3.201 -9.544 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -13.411 -2.524 -9.463 1.00 2.51 O ATOM 0 H GLU A 113 -13.609 -0.422 -6.613 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.666 -0.977 -8.469 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -15.123 -1.966 -5.671 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -16.427 -2.575 -6.673 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -13.465 -2.887 -7.004 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -14.733 -4.091 -7.133 1.00 0.53 H new ATOM 1768 N SER A 114 -16.447 0.994 -6.043 1.00 0.18 N ATOM 1769 CA SER A 114 -17.465 1.918 -5.582 1.00 0.19 C ATOM 1770 C SER A 114 -17.722 2.951 -6.666 1.00 0.22 C ATOM 1771 O SER A 114 -18.856 3.329 -6.934 1.00 0.28 O ATOM 1772 CB SER A 114 -17.005 2.590 -4.293 1.00 0.18 C ATOM 1773 OG SER A 114 -16.676 1.623 -3.310 1.00 0.20 O ATOM 0 H SER A 114 -15.523 1.153 -5.642 1.00 0.18 H new ATOM 0 HA SER A 114 -18.391 1.382 -5.376 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.138 3.219 -4.495 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.792 3.243 -3.917 1.00 0.18 H new ATOM 0 HG SER A 114 -15.858 1.152 -3.575 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.651 3.346 -7.330 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.704 4.318 -8.408 1.00 0.27 C ATOM 1781 C VAL A 115 -17.472 3.732 -9.574 1.00 0.28 C ATOM 1782 O VAL A 115 -18.205 4.422 -10.282 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.279 4.669 -8.862 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.286 5.613 -10.047 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.499 5.253 -7.705 1.00 1.10 C ATOM 0 H VAL A 115 -15.712 2.999 -7.135 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.202 5.221 -8.055 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.789 3.752 -9.189 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.260 5.838 -10.339 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.807 5.145 -10.882 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.796 6.537 -9.773 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.490 5.499 -8.034 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.996 6.156 -7.350 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.449 4.525 -6.896 1.00 1.10 H new ATOM 1795 N ASP A 116 -17.285 2.438 -9.728 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.929 1.641 -10.752 1.00 0.34 C ATOM 1797 C ASP A 116 -19.437 1.837 -10.748 1.00 0.35 C ATOM 1798 O ASP A 116 -20.040 2.140 -11.774 1.00 0.41 O ATOM 1799 CB ASP A 116 -17.601 0.183 -10.471 1.00 0.37 C ATOM 1800 CG ASP A 116 -18.120 -0.759 -11.540 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -17.467 -0.892 -12.595 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -19.192 -1.361 -11.336 1.00 0.60 O ATOM 0 H ASP A 116 -16.663 1.896 -9.128 1.00 0.28 H new ATOM 0 HA ASP A 116 -17.566 1.948 -11.733 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -16.520 0.069 -10.388 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -18.026 -0.100 -9.508 1.00 0.37 H new ATOM 1807 N LYS A 117 -20.040 1.690 -9.575 1.00 0.32 N ATOM 1808 CA LYS A 117 -21.481 1.845 -9.428 1.00 0.35 C ATOM 1809 C LYS A 117 -21.837 3.316 -9.222 1.00 0.34 C ATOM 1810 O LYS A 117 -22.954 3.642 -8.820 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.984 1.027 -8.235 1.00 0.37 C ATOM 1812 CG LYS A 117 -21.115 -0.171 -7.876 1.00 0.36 C ATOM 1813 CD LYS A 117 -21.053 -1.191 -8.992 1.00 0.45 C ATOM 1814 CE LYS A 117 -20.462 -2.500 -8.503 1.00 0.61 C ATOM 1815 NZ LYS A 117 -21.360 -3.174 -7.528 1.00 1.62 N ATOM 0 H LYS A 117 -19.551 1.463 -8.709 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.960 1.484 -10.338 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -22.054 1.682 -7.366 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.993 0.676 -8.452 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -20.107 0.171 -7.643 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -21.507 -0.644 -6.976 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -22.054 -1.365 -9.386 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -20.451 -0.801 -9.813 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -20.285 -3.160 -9.352 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.494 -2.312 -8.038 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -21.173 -4.197 -7.533 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -21.185 -2.795 -6.575 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -22.351 -3.002 -7.793 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.868 4.191 -9.494 1.00 0.31 N ATOM 1830 CA GLU A 118 -21.028 5.634 -9.327 1.00 0.33 C ATOM 1831 C GLU A 118 -21.304 5.975 -7.871 1.00 0.31 C ATOM 1832 O GLU A 118 -22.154 6.805 -7.551 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.128 6.175 -10.240 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.803 6.012 -11.713 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.829 6.658 -12.611 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.853 6.010 -12.910 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -22.612 7.815 -13.029 1.00 1.07 O ATOM 0 H GLU A 118 -19.948 3.917 -9.837 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.095 6.116 -9.617 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -23.063 5.659 -10.020 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.288 7.231 -10.023 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.824 6.447 -11.915 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.735 4.950 -11.951 1.00 0.49 H new ATOM 1844 N MET A 119 -20.538 5.342 -7.000 1.00 0.26 N ATOM 1845 CA MET A 119 -20.662 5.524 -5.563 1.00 0.26 C ATOM 1846 C MET A 119 -19.341 6.054 -5.046 1.00 0.25 C ATOM 1847 O MET A 119 -18.810 5.597 -4.040 1.00 0.23 O ATOM 1848 CB MET A 119 -20.990 4.198 -4.878 1.00 0.25 C ATOM 1849 CG MET A 119 -22.197 3.485 -5.452 1.00 0.28 C ATOM 1850 SD MET A 119 -22.427 1.854 -4.726 1.00 0.31 S ATOM 1851 CE MET A 119 -20.766 1.190 -4.871 1.00 0.29 C ATOM 0 H MET A 119 -19.808 4.683 -7.271 1.00 0.26 H new ATOM 0 HA MET A 119 -21.470 6.223 -5.347 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.124 3.540 -4.952 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.161 4.382 -3.817 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.089 4.087 -5.280 1.00 0.28 H new ATOM 0 HG3 MET A 119 -22.081 3.388 -6.531 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.810 0.101 -4.896 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.307 1.555 -5.790 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.170 1.510 -4.016 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.818 7.020 -5.772 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.522 7.609 -5.506 1.00 0.31 C ATOM 1863 C GLN A 120 -17.437 8.260 -4.120 1.00 0.32 C ATOM 1864 O GLN A 120 -16.371 8.688 -3.695 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.245 8.611 -6.615 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.399 7.984 -7.993 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.244 8.805 -8.948 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.860 8.132 -9.907 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.333 10.025 -8.843 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.291 7.426 -6.579 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.763 6.827 -5.495 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.928 9.455 -6.521 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.235 9.005 -6.505 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.410 7.840 -8.429 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.846 6.996 -7.884 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.844 10.509 -8.090 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -18.896 10.554 -9.508 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.559 8.336 -3.422 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.564 8.794 -2.040 1.00 0.35 C ATOM 1880 C VAL A 121 -17.846 7.796 -1.122 1.00 0.31 C ATOM 1881 O VAL A 121 -17.332 8.171 -0.068 1.00 0.36 O ATOM 1882 CB VAL A 121 -19.999 9.018 -1.519 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.680 10.137 -2.292 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.804 7.734 -1.616 1.00 0.38 C ATOM 0 H VAL A 121 -19.478 8.087 -3.789 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.032 9.745 -2.025 1.00 0.35 H new ATOM 0 HB VAL A 121 -19.944 9.312 -0.471 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.691 10.280 -1.910 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.113 11.060 -2.172 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.725 9.874 -3.349 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.814 7.909 -1.245 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.851 7.411 -2.656 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.326 6.959 -1.017 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.802 6.524 -1.532 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.096 5.497 -0.764 1.00 0.21 C ATOM 1896 C LEU A 122 -15.604 5.709 -0.860 1.00 0.19 C ATOM 1897 O LEU A 122 -14.869 5.357 0.052 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.418 4.079 -1.254 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.783 3.510 -0.866 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.022 3.654 0.624 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.891 4.167 -1.666 1.00 0.22 C ATOM 0 H LEU A 122 -18.244 6.184 -2.386 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.433 5.590 0.268 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.343 4.070 -2.341 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.649 3.406 -0.875 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.788 2.446 -1.104 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.999 3.243 0.877 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.248 3.114 1.170 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.991 4.709 0.897 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.852 3.745 -1.371 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.892 5.240 -1.474 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.727 3.989 -2.729 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.174 6.279 -1.976 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.768 6.584 -2.212 1.00 0.20 C ATOM 1915 C VAL A 123 -13.115 7.224 -0.991 1.00 0.22 C ATOM 1916 O VAL A 123 -12.093 6.749 -0.493 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.643 7.522 -3.421 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.219 8.032 -3.595 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.130 6.797 -4.667 1.00 0.23 C ATOM 0 H VAL A 123 -15.790 6.544 -2.745 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.249 5.647 -2.412 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.266 8.400 -3.251 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.172 8.692 -4.461 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.918 8.581 -2.703 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.546 7.188 -3.746 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.044 7.458 -5.530 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.523 5.906 -4.830 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.172 6.507 -4.535 1.00 0.23 H new ATOM 1929 N SER A 124 -13.719 8.290 -0.503 1.00 0.24 N ATOM 1930 CA SER A 124 -13.206 8.996 0.639 1.00 0.28 C ATOM 1931 C SER A 124 -13.378 8.181 1.915 1.00 0.27 C ATOM 1932 O SER A 124 -12.506 8.183 2.784 1.00 0.33 O ATOM 1933 CB SER A 124 -13.938 10.320 0.736 1.00 0.36 C ATOM 1934 OG SER A 124 -15.097 10.316 -0.084 1.00 1.35 O ATOM 0 H SER A 124 -14.576 8.685 -0.890 1.00 0.24 H new ATOM 0 HA SER A 124 -12.136 9.167 0.519 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.220 10.510 1.772 1.00 0.36 H new ATOM 0 HB3 SER A 124 -13.275 11.130 0.433 1.00 0.36 H new ATOM 0 HG SER A 124 -14.868 10.651 -0.976 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.497 7.469 2.009 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.790 6.654 3.179 1.00 0.23 C ATOM 1942 C ARG A 125 -13.749 5.564 3.341 1.00 0.21 C ATOM 1943 O ARG A 125 -13.096 5.468 4.372 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.171 6.012 3.069 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.302 7.009 2.929 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.647 6.364 3.214 1.00 0.55 C ATOM 1947 NE ARG A 125 -18.695 5.727 4.526 1.00 1.44 N ATOM 1948 CZ ARG A 125 -19.742 5.041 4.979 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -20.849 4.955 4.246 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -19.694 4.476 6.177 1.00 2.67 N ATOM 0 H ARG A 125 -15.216 7.441 1.286 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.771 7.310 4.049 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.182 5.342 2.209 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.347 5.399 3.953 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.143 7.841 3.615 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.302 7.423 1.921 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -19.429 7.120 3.152 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.860 5.621 2.445 1.00 0.55 H new ATOM 0 HE ARG A 125 -17.879 5.812 5.131 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.896 5.415 3.337 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -21.651 4.429 4.593 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -18.856 4.567 6.751 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -20.496 3.950 6.525 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.603 4.753 2.307 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.663 3.646 2.320 1.00 0.19 C ATOM 1966 C ILE A 126 -11.275 4.127 2.712 1.00 0.20 C ATOM 1967 O ILE A 126 -10.665 3.571 3.616 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.614 2.952 0.945 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.023 2.472 0.578 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.633 1.788 0.965 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.157 1.948 -0.830 1.00 0.18 C ATOM 0 H ILE A 126 -14.130 4.843 1.439 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.005 2.923 3.060 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.268 3.661 0.193 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.319 1.687 1.274 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.721 3.298 0.713 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.614 1.312 -0.015 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.637 2.156 1.209 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.946 1.062 1.715 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.185 1.630 -1.004 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.896 2.735 -1.537 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.487 1.099 -0.968 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.803 5.184 2.061 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.488 5.738 2.365 1.00 0.24 C ATOM 1985 C ALA A 127 -9.379 6.125 3.839 1.00 0.24 C ATOM 1986 O ALA A 127 -8.328 5.959 4.462 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.202 6.943 1.484 1.00 0.27 C ATOM 0 H ALA A 127 -11.308 5.673 1.322 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.745 4.967 2.160 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.217 7.344 1.724 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.226 6.642 0.437 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.958 7.709 1.659 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.472 6.632 4.389 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.533 6.978 5.800 1.00 0.22 C ATOM 1995 C ALA A 128 -10.370 5.737 6.656 1.00 0.23 C ATOM 1996 O ALA A 128 -9.421 5.614 7.432 1.00 0.28 O ATOM 1997 CB ALA A 128 -11.862 7.631 6.124 1.00 0.23 C ATOM 0 H ALA A 128 -11.334 6.814 3.875 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.723 7.675 6.014 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -11.894 7.885 7.184 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -11.976 8.538 5.530 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.673 6.941 5.892 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.303 4.814 6.474 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.361 3.591 7.254 1.00 0.35 C ATOM 2005 C TRP A 129 -10.087 2.763 7.081 1.00 0.25 C ATOM 2006 O TRP A 129 -9.649 2.088 8.012 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.592 2.778 6.844 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.900 3.464 7.127 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.711 4.082 6.218 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.552 3.596 8.395 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.814 4.609 6.841 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.744 4.319 8.180 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.242 3.180 9.693 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.623 4.628 9.214 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.117 3.488 10.719 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.294 4.207 10.474 1.00 3.91 C ATOM 0 H TRP A 129 -12.044 4.895 5.777 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.440 3.855 8.309 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.532 2.559 5.778 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.574 1.822 7.367 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.512 4.147 5.158 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.562 5.130 6.384 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.335 2.628 9.891 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.532 5.180 9.029 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.889 3.169 11.725 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.956 4.434 11.297 1.00 3.91 H new ATOM 2027 N MET A 130 -9.488 2.830 5.894 1.00 0.24 N ATOM 2028 CA MET A 130 -8.233 2.132 5.625 1.00 0.26 C ATOM 2029 C MET A 130 -7.118 2.671 6.504 1.00 0.25 C ATOM 2030 O MET A 130 -6.485 1.925 7.254 1.00 0.29 O ATOM 2031 CB MET A 130 -7.844 2.266 4.156 1.00 0.31 C ATOM 2032 CG MET A 130 -8.686 1.410 3.232 1.00 0.29 C ATOM 2033 SD MET A 130 -8.321 1.697 1.495 1.00 1.08 S ATOM 2034 CE MET A 130 -6.616 1.178 1.429 1.00 0.31 C ATOM 0 H MET A 130 -9.852 3.361 5.103 1.00 0.24 H new ATOM 0 HA MET A 130 -8.382 1.077 5.854 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.936 3.310 3.857 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.796 1.992 4.039 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.519 0.358 3.465 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.741 1.614 3.416 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.302 1.091 0.389 1.00 0.31 H new ATOM 0 HE2 MET A 130 -5.992 1.914 1.936 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.510 0.212 1.922 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.885 3.970 6.423 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.852 4.596 7.227 1.00 0.24 C ATOM 2046 C ALA A 131 -6.150 4.423 8.707 1.00 0.24 C ATOM 2047 O ALA A 131 -5.241 4.220 9.505 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.714 6.065 6.877 1.00 0.25 C ATOM 0 H ALA A 131 -7.395 4.608 5.812 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.904 4.105 7.008 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.934 6.514 7.492 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.449 6.165 5.825 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.660 6.574 7.063 1.00 0.25 H new ATOM 2054 N THR A 132 -7.426 4.491 9.065 1.00 0.26 N ATOM 2055 CA THR A 132 -7.837 4.293 10.446 1.00 0.29 C ATOM 2056 C THR A 132 -7.509 2.882 10.923 1.00 0.30 C ATOM 2057 O THR A 132 -6.997 2.698 12.026 1.00 0.32 O ATOM 2058 CB THR A 132 -9.341 4.545 10.633 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.655 5.898 10.282 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.742 4.272 12.074 1.00 0.40 C ATOM 0 H THR A 132 -8.192 4.681 8.418 1.00 0.26 H new ATOM 0 HA THR A 132 -7.280 5.016 11.042 1.00 0.29 H new ATOM 0 HB THR A 132 -9.897 3.871 9.981 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.622 5.999 9.308 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.810 4.454 12.195 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.520 3.234 12.323 1.00 0.40 H new ATOM 0 HG23 THR A 132 -9.184 4.932 12.738 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.811 1.887 10.096 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.487 0.508 10.429 1.00 0.32 C ATOM 2070 C TYR A 133 -5.997 0.378 10.699 1.00 0.32 C ATOM 2071 O TYR A 133 -5.576 -0.317 11.620 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.898 -0.447 9.308 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.777 -1.901 9.703 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.796 -2.527 10.404 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.639 -2.639 9.395 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.691 -3.847 10.785 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.525 -3.962 9.778 1.00 2.40 C ATOM 2078 CZ TYR A 133 -7.555 -4.560 10.473 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.450 -5.872 10.865 1.00 3.13 O ATOM 0 H TYR A 133 -8.276 2.010 9.197 1.00 0.30 H new ATOM 0 HA TYR A 133 -8.045 0.237 11.325 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.928 -0.238 9.019 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.277 -0.260 8.432 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.687 -1.971 10.656 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.833 -2.172 8.849 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -9.497 -4.321 11.326 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.635 -4.524 9.535 1.00 2.40 H new ATOM 0 HH TYR A 133 -7.496 -6.453 10.077 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.200 1.063 9.894 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.768 1.107 10.114 1.00 0.30 C ATOM 2091 C LEU A 134 -3.481 1.824 11.433 1.00 0.32 C ATOM 2092 O LEU A 134 -2.743 1.316 12.274 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.074 1.814 8.942 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.565 1.565 8.810 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.057 2.105 7.489 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.800 2.198 9.959 1.00 0.88 C ATOM 0 H LEU A 134 -5.522 1.594 9.085 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.375 0.092 10.173 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.557 1.501 8.016 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.239 2.887 9.041 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.399 0.488 8.844 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.014 1.922 7.409 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.573 1.605 6.669 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.246 3.177 7.437 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.266 2.004 9.837 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.975 3.274 9.964 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.141 1.771 10.902 1.00 0.88 H new ATOM 2108 N ASN A 135 -4.088 2.993 11.599 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.940 3.805 12.809 1.00 0.35 C ATOM 2110 C ASN A 135 -4.175 2.989 14.073 1.00 0.38 C ATOM 2111 O ASN A 135 -3.379 3.034 15.011 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.931 4.980 12.784 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.370 6.255 12.182 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.945 7.160 12.897 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.351 6.333 10.866 1.00 0.34 N ATOM 0 H ASN A 135 -4.700 3.409 10.897 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.915 4.176 12.823 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.815 4.683 12.219 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -5.258 5.186 13.803 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.975 7.164 10.410 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.712 5.562 10.304 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.272 2.249 14.094 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.652 1.481 15.268 1.00 0.42 C ATOM 2124 C ASP A 136 -4.909 0.149 15.341 1.00 0.40 C ATOM 2125 O ASP A 136 -4.251 -0.156 16.334 1.00 0.43 O ATOM 2126 CB ASP A 136 -7.162 1.239 15.246 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.622 0.282 16.326 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.766 0.719 17.486 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.830 -0.911 16.021 1.00 0.58 O ATOM 0 H ASP A 136 -5.917 2.164 13.308 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.378 2.055 16.153 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.679 2.191 15.367 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.447 0.843 14.271 1.00 0.45 H new ATOM 2134 N HIS A 137 -5.009 -0.625 14.275 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.560 -2.011 14.278 1.00 0.38 C ATOM 2136 C HIS A 137 -3.110 -2.178 13.819 1.00 0.35 C ATOM 2137 O HIS A 137 -2.303 -2.813 14.495 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.480 -2.821 13.365 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.433 -3.723 14.089 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.375 -3.274 14.990 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.585 -5.065 14.033 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.062 -4.303 15.452 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.602 -5.400 14.887 1.00 1.34 N ATOM 0 H HIS A 137 -5.401 -0.315 13.386 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.603 -2.368 15.307 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -6.052 -2.133 12.743 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.867 -3.423 12.694 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -7.519 -2.300 15.258 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -6.010 -5.748 13.426 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.866 -4.253 16.172 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.786 -1.599 12.673 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.569 -1.928 11.963 1.00 0.29 C ATOM 2154 C LEU A 138 -0.326 -1.249 12.516 1.00 0.27 C ATOM 2155 O LEU A 138 0.719 -1.885 12.643 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.774 -1.538 10.517 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.775 -2.695 9.543 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.334 -3.958 10.179 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.576 -2.334 8.311 1.00 1.20 C ATOM 0 H LEU A 138 -3.360 -0.891 12.214 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.386 -2.996 12.080 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.722 -1.007 10.429 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.989 -0.839 10.229 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.742 -2.894 9.257 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.320 -4.769 9.451 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.724 -4.232 11.040 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.359 -3.779 10.503 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.571 -3.173 7.615 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.603 -2.107 8.598 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.132 -1.462 7.831 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.442 0.036 12.817 1.00 0.30 N ATOM 2172 CA GLU A 139 0.702 0.847 13.243 1.00 0.31 C ATOM 2173 C GLU A 139 1.549 0.156 14.326 1.00 0.30 C ATOM 2174 O GLU A 139 2.764 0.045 14.158 1.00 0.30 O ATOM 2175 CB GLU A 139 0.248 2.228 13.718 1.00 0.38 C ATOM 2176 CG GLU A 139 1.398 3.191 13.951 1.00 0.40 C ATOM 2177 CD GLU A 139 0.938 4.510 14.531 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.565 4.548 15.718 1.00 0.61 O ATOM 2179 OE2 GLU A 139 0.953 5.524 13.802 1.00 0.75 O ATOM 0 H GLU A 139 -1.323 0.548 12.775 1.00 0.30 H new ATOM 0 HA GLU A 139 1.340 0.967 12.367 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.430 2.654 12.978 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.318 2.118 14.643 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.121 2.733 14.626 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.913 3.372 13.008 1.00 0.40 H new ATOM 2186 N PRO A 140 0.943 -0.329 15.440 1.00 0.32 N ATOM 2187 CA PRO A 140 1.690 -1.041 16.483 1.00 0.34 C ATOM 2188 C PRO A 140 2.510 -2.191 15.907 1.00 0.32 C ATOM 2189 O PRO A 140 3.712 -2.297 16.158 1.00 0.34 O ATOM 2190 CB PRO A 140 0.602 -1.589 17.404 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.561 -0.688 17.203 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.494 -0.229 15.776 1.00 0.36 C ATOM 0 HA PRO A 140 2.402 -0.388 16.988 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.352 -2.619 17.150 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.928 -1.587 18.444 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.497 -1.211 17.400 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.519 0.160 17.887 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.102 -0.857 15.125 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.860 0.792 15.667 1.00 0.36 H new ATOM 2200 N TRP A 141 1.845 -3.029 15.116 1.00 0.31 N ATOM 2201 CA TRP A 141 2.479 -4.181 14.485 1.00 0.32 C ATOM 2202 C TRP A 141 3.646 -3.734 13.610 1.00 0.31 C ATOM 2203 O TRP A 141 4.752 -4.252 13.729 1.00 0.36 O ATOM 2204 CB TRP A 141 1.451 -4.944 13.651 1.00 0.35 C ATOM 2205 CG TRP A 141 1.777 -6.395 13.497 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.723 -6.942 12.683 1.00 0.43 C ATOM 2207 CD2 TRP A 141 1.154 -7.487 14.182 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.723 -8.308 12.818 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.770 -8.666 13.731 1.00 0.70 C ATOM 2210 CE3 TRP A 141 0.131 -7.580 15.130 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 1.400 -9.925 14.200 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.235 -8.829 15.595 1.00 1.19 C ATOM 2213 CH2 TRP A 141 0.398 -9.987 15.129 1.00 1.20 C ATOM 0 H TRP A 141 0.854 -2.928 14.895 1.00 0.31 H new ATOM 0 HA TRP A 141 2.866 -4.841 15.261 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.470 -4.846 14.117 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.382 -4.487 12.664 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.376 -6.384 12.029 1.00 0.43 H new ATOM 0 HE1 TRP A 141 3.335 -8.952 12.318 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.365 -6.692 15.493 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.887 -10.820 13.843 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.022 -8.913 16.330 1.00 1.19 H new ATOM 0 HH2 TRP A 141 0.089 -10.949 15.511 1.00 1.20 H new ATOM 2224 N ILE A 142 3.387 -2.764 12.741 1.00 0.26 N ATOM 2225 CA ILE A 142 4.418 -2.154 11.905 1.00 0.26 C ATOM 2226 C ILE A 142 5.662 -1.805 12.713 1.00 0.29 C ATOM 2227 O ILE A 142 6.777 -2.203 12.368 1.00 0.32 O ATOM 2228 CB ILE A 142 3.866 -0.871 11.259 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.795 -1.239 10.242 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.981 -0.053 10.621 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.842 -0.114 9.929 1.00 0.26 C ATOM 0 H ILE A 142 2.455 -2.376 12.595 1.00 0.26 H new ATOM 0 HA ILE A 142 4.696 -2.878 11.139 1.00 0.26 H new ATOM 0 HB ILE A 142 3.417 -0.247 12.032 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.278 -1.561 9.319 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.227 -2.090 10.618 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.561 0.847 10.173 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.709 0.227 11.383 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.472 -0.647 9.850 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.108 -0.452 9.197 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.330 0.194 10.841 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.398 0.731 9.522 1.00 0.26 H new ATOM 2243 N GLN A 143 5.459 -1.055 13.782 1.00 0.30 N ATOM 2244 CA GLN A 143 6.551 -0.605 14.630 1.00 0.35 C ATOM 2245 C GLN A 143 7.336 -1.781 15.214 1.00 0.39 C ATOM 2246 O GLN A 143 8.551 -1.695 15.381 1.00 0.43 O ATOM 2247 CB GLN A 143 6.012 0.280 15.747 1.00 0.41 C ATOM 2248 CG GLN A 143 5.205 1.466 15.236 1.00 0.43 C ATOM 2249 CD GLN A 143 6.001 2.373 14.318 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.217 2.506 14.453 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.320 3.001 13.372 1.00 0.52 N ATOM 0 H GLN A 143 4.537 -0.741 14.086 1.00 0.30 H new ATOM 0 HA GLN A 143 7.238 -0.027 14.012 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.386 -0.320 16.407 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.846 0.647 16.345 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.328 1.099 14.704 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.843 2.045 16.086 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.312 2.864 13.293 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.803 3.621 12.722 1.00 0.52 H new ATOM 2260 N GLU A 144 6.647 -2.889 15.508 1.00 0.40 N ATOM 2261 CA GLU A 144 7.299 -4.093 16.011 1.00 0.47 C ATOM 2262 C GLU A 144 8.263 -4.661 14.983 1.00 0.48 C ATOM 2263 O GLU A 144 9.234 -5.338 15.316 1.00 0.55 O ATOM 2264 CB GLU A 144 6.247 -5.145 16.325 1.00 0.51 C ATOM 2265 CG GLU A 144 5.226 -4.693 17.336 1.00 0.52 C ATOM 2266 CD GLU A 144 5.776 -4.647 18.747 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.701 -5.427 19.054 1.00 0.78 O ATOM 2268 OE2 GLU A 144 5.281 -3.839 19.559 1.00 0.67 O ATOM 0 H GLU A 144 5.636 -2.972 15.404 1.00 0.40 H new ATOM 0 HA GLU A 144 7.855 -3.828 16.910 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.735 -5.422 15.403 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.742 -6.042 16.697 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.862 -3.703 17.060 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.370 -5.367 17.307 1.00 0.52 H new ATOM 2275 N ASN A 145 7.985 -4.365 13.731 1.00 0.44 N ATOM 2276 CA ASN A 145 8.701 -4.969 12.622 1.00 0.48 C ATOM 2277 C ASN A 145 9.819 -4.046 12.174 1.00 0.47 C ATOM 2278 O ASN A 145 10.744 -4.455 11.474 1.00 0.57 O ATOM 2279 CB ASN A 145 7.744 -5.265 11.457 1.00 0.49 C ATOM 2280 CG ASN A 145 6.703 -6.330 11.782 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.281 -6.397 13.038 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.277 -7.081 10.903 1.00 0.54 N flip ATOM 0 H ASN A 145 7.261 -3.703 13.452 1.00 0.44 H new ATOM 0 HA ASN A 145 9.132 -5.914 12.951 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.234 -4.344 11.173 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.325 -5.587 10.593 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.626 -6.998 9.948 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.575 -7.785 11.130 1.00 0.54 H new ATOM 2289 N GLY A 146 9.726 -2.794 12.593 1.00 0.42 N ATOM 2290 CA GLY A 146 10.775 -1.843 12.322 1.00 0.45 C ATOM 2291 C GLY A 146 10.244 -0.460 12.021 1.00 0.44 C ATOM 2292 O GLY A 146 10.808 0.538 12.465 1.00 0.56 O ATOM 0 H GLY A 146 8.936 -2.421 13.119 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.444 -1.792 13.181 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.367 -2.192 11.476 1.00 0.45 H new ATOM 2296 N GLY A 147 9.156 -0.399 11.272 1.00 0.36 N ATOM 2297 CA GLY A 147 8.583 0.878 10.891 1.00 0.36 C ATOM 2298 C GLY A 147 8.537 1.044 9.385 1.00 0.38 C ATOM 2299 O GLY A 147 9.122 0.244 8.653 1.00 0.49 O ATOM 0 H GLY A 147 8.655 -1.214 10.918 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.575 0.960 11.297 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.170 1.686 11.329 1.00 0.36 H new ATOM 2303 N TRP A 148 7.861 2.085 8.919 1.00 0.35 N ATOM 2304 CA TRP A 148 7.665 2.290 7.490 1.00 0.37 C ATOM 2305 C TRP A 148 8.981 2.575 6.769 1.00 0.38 C ATOM 2306 O TRP A 148 9.173 2.143 5.632 1.00 0.40 O ATOM 2307 CB TRP A 148 6.665 3.419 7.245 1.00 0.39 C ATOM 2308 CG TRP A 148 5.266 3.072 7.646 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.553 1.976 7.256 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.402 3.833 8.494 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.304 2.003 7.824 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.187 3.135 8.587 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.539 5.036 9.189 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.120 3.600 9.346 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.477 5.498 9.942 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.282 4.780 10.017 1.00 3.32 C ATOM 0 H TRP A 148 7.439 2.801 9.510 1.00 0.35 H new ATOM 0 HA TRP A 148 7.262 1.364 7.079 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.984 4.303 7.797 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.677 3.682 6.187 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.918 1.202 6.598 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.580 1.295 7.699 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.461 5.597 9.139 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.194 3.048 9.404 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.573 6.429 10.481 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.470 5.164 10.617 1.00 3.32 H new ATOM 2327 N ASP A 149 9.893 3.281 7.433 1.00 0.42 N ATOM 2328 CA ASP A 149 11.206 3.573 6.850 1.00 0.47 C ATOM 2329 C ASP A 149 11.977 2.281 6.614 1.00 0.47 C ATOM 2330 O ASP A 149 12.770 2.185 5.679 1.00 0.52 O ATOM 2331 CB ASP A 149 12.027 4.501 7.755 1.00 0.56 C ATOM 2332 CG ASP A 149 11.473 5.912 7.828 1.00 1.23 C ATOM 2333 OD1 ASP A 149 10.640 6.182 8.718 1.00 1.96 O ATOM 2334 OD2 ASP A 149 11.882 6.763 7.008 1.00 1.72 O ATOM 0 H ASP A 149 9.751 3.661 8.369 1.00 0.42 H new ATOM 0 HA ASP A 149 11.040 4.079 5.899 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.062 4.079 8.760 1.00 0.56 H new ATOM 0 HB3 ASP A 149 13.053 4.539 7.389 1.00 0.56 H new ATOM 2339 N THR A 150 11.735 1.286 7.459 1.00 0.47 N ATOM 2340 CA THR A 150 12.355 -0.020 7.293 1.00 0.51 C ATOM 2341 C THR A 150 11.785 -0.741 6.077 1.00 0.50 C ATOM 2342 O THR A 150 12.513 -1.420 5.354 1.00 0.56 O ATOM 2343 CB THR A 150 12.176 -0.901 8.545 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.842 -0.300 9.666 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.736 -2.294 8.305 1.00 0.67 C ATOM 0 H THR A 150 11.114 1.360 8.265 1.00 0.47 H new ATOM 0 HA THR A 150 13.421 0.151 7.143 1.00 0.51 H new ATOM 0 HB THR A 150 11.110 -0.984 8.758 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.861 -0.934 10.413 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.600 -2.900 9.201 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.212 -2.758 7.470 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.799 -2.224 8.072 1.00 0.67 H new ATOM 2353 N PHE A 151 10.493 -0.563 5.825 1.00 0.45 N ATOM 2354 CA PHE A 151 9.860 -1.190 4.673 1.00 0.47 C ATOM 2355 C PHE A 151 10.511 -0.658 3.407 1.00 0.48 C ATOM 2356 O PHE A 151 10.665 -1.363 2.418 1.00 0.55 O ATOM 2357 CB PHE A 151 8.355 -0.905 4.664 1.00 0.47 C ATOM 2358 CG PHE A 151 7.652 -1.443 3.451 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.356 -2.790 3.351 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.295 -0.602 2.410 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.717 -3.291 2.236 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.657 -1.098 1.292 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.367 -2.444 1.205 1.00 3.00 C ATOM 0 H PHE A 151 9.869 0.005 6.398 1.00 0.45 H new ATOM 0 HA PHE A 151 9.994 -2.270 4.727 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.906 -1.339 5.557 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.197 0.172 4.718 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.628 -3.457 4.155 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.518 0.453 2.474 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.491 -4.345 2.170 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.385 -0.433 0.486 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.867 -2.834 0.331 1.00 3.00 H new ATOM 2373 N VAL A 152 10.906 0.597 3.483 1.00 0.45 N ATOM 2374 CA VAL A 152 11.651 1.264 2.435 1.00 0.49 C ATOM 2375 C VAL A 152 13.018 0.615 2.233 1.00 0.57 C ATOM 2376 O VAL A 152 13.417 0.283 1.121 1.00 0.64 O ATOM 2377 CB VAL A 152 11.854 2.724 2.840 1.00 0.60 C ATOM 2378 CG1 VAL A 152 12.668 3.468 1.815 1.00 1.15 C ATOM 2379 CG2 VAL A 152 10.523 3.389 3.090 1.00 0.91 C ATOM 0 H VAL A 152 10.715 1.192 4.289 1.00 0.45 H new ATOM 0 HA VAL A 152 11.091 1.188 1.503 1.00 0.49 H new ATOM 0 HB VAL A 152 12.420 2.748 3.771 1.00 0.60 H new ATOM 0 HG11 VAL A 152 12.794 4.503 2.132 1.00 1.15 H new ATOM 0 HG12 VAL A 152 13.646 2.997 1.715 1.00 1.15 H new ATOM 0 HG13 VAL A 152 12.154 3.443 0.854 1.00 1.15 H new ATOM 0 HG21 VAL A 152 10.684 4.428 3.378 1.00 0.91 H new ATOM 0 HG22 VAL A 152 9.922 3.353 2.182 1.00 0.91 H new ATOM 0 HG23 VAL A 152 10.001 2.867 3.892 1.00 0.91 H new ATOM 2389 N GLU A 153 13.745 0.494 3.322 1.00 0.59 N ATOM 2390 CA GLU A 153 15.043 -0.159 3.332 1.00 0.69 C ATOM 2391 C GLU A 153 14.997 -1.519 2.627 1.00 0.70 C ATOM 2392 O GLU A 153 15.858 -1.840 1.806 1.00 0.80 O ATOM 2393 CB GLU A 153 15.485 -0.321 4.780 1.00 0.76 C ATOM 2394 CG GLU A 153 15.583 1.007 5.500 1.00 0.80 C ATOM 2395 CD GLU A 153 16.794 1.803 5.077 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.916 1.432 5.468 1.00 1.58 O ATOM 2397 OE2 GLU A 153 16.630 2.801 4.346 1.00 1.67 O ATOM 0 H GLU A 153 13.453 0.847 4.233 1.00 0.59 H new ATOM 0 HA GLU A 153 15.758 0.456 2.785 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.779 -0.965 5.304 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.453 -0.820 4.809 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.683 1.590 5.306 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.624 0.832 6.575 1.00 0.80 H new ATOM 2404 N LEU A 154 13.989 -2.308 2.964 1.00 0.67 N ATOM 2405 CA LEU A 154 13.798 -3.625 2.390 1.00 0.72 C ATOM 2406 C LEU A 154 13.190 -3.583 0.987 1.00 0.74 C ATOM 2407 O LEU A 154 13.806 -4.029 0.018 1.00 0.83 O ATOM 2408 CB LEU A 154 12.877 -4.425 3.307 1.00 0.72 C ATOM 2409 CG LEU A 154 13.531 -4.992 4.564 1.00 0.83 C ATOM 2410 CD1 LEU A 154 14.215 -3.920 5.394 1.00 1.30 C ATOM 2411 CD2 LEU A 154 12.495 -5.718 5.396 1.00 1.14 C ATOM 0 H LEU A 154 13.278 -2.049 3.648 1.00 0.67 H new ATOM 0 HA LEU A 154 14.780 -4.090 2.300 1.00 0.72 H new ATOM 0 HB2 LEU A 154 12.047 -3.785 3.607 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.452 -5.250 2.736 1.00 0.72 H new ATOM 0 HG LEU A 154 14.305 -5.691 4.246 1.00 0.83 H new ATOM 0 HD11 LEU A 154 14.664 -4.375 6.277 1.00 1.30 H new ATOM 0 HD12 LEU A 154 14.991 -3.439 4.799 1.00 1.30 H new ATOM 0 HD13 LEU A 154 13.481 -3.176 5.703 1.00 1.30 H new ATOM 0 HD21 LEU A 154 12.966 -6.121 6.292 1.00 1.14 H new ATOM 0 HD22 LEU A 154 11.706 -5.023 5.682 1.00 1.14 H new ATOM 0 HD23 LEU A 154 12.066 -6.533 4.813 1.00 1.14 H new ATOM 2423 N TYR A 155 11.993 -3.030 0.886 1.00 0.69 N ATOM 2424 CA TYR A 155 11.174 -3.158 -0.317 1.00 0.78 C ATOM 2425 C TYR A 155 10.878 -1.788 -0.913 1.00 0.77 C ATOM 2426 O TYR A 155 9.856 -1.589 -1.570 1.00 1.15 O ATOM 2427 CB TYR A 155 9.863 -3.853 0.047 1.00 0.86 C ATOM 2428 CG TYR A 155 9.363 -4.846 -0.985 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.621 -4.414 -2.076 1.00 2.24 C ATOM 2430 CD2 TYR A 155 9.646 -6.203 -0.881 1.00 1.83 C ATOM 2431 CE1 TYR A 155 8.174 -5.304 -3.034 1.00 3.16 C ATOM 2432 CE2 TYR A 155 9.199 -7.101 -1.835 1.00 2.65 C ATOM 2433 CZ TYR A 155 8.429 -6.692 -2.849 1.00 3.24 C ATOM 2434 OH TYR A 155 8.026 -7.531 -3.872 1.00 4.24 O ATOM 0 H TYR A 155 11.560 -2.482 1.629 1.00 0.69 H new ATOM 0 HA TYR A 155 11.717 -3.746 -1.057 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.994 -4.372 0.997 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.096 -3.094 0.202 1.00 0.86 H new ATOM 0 HD1 TYR A 155 8.389 -3.364 -2.178 1.00 2.24 H new ATOM 0 HD2 TYR A 155 10.224 -6.562 -0.042 1.00 1.83 H new ATOM 0 HE1 TYR A 155 7.642 -4.953 -3.906 1.00 3.16 H new ATOM 0 HE2 TYR A 155 9.475 -8.142 -1.760 1.00 2.65 H new ATOM 0 HH TYR A 155 8.249 -8.457 -3.643 1.00 4.24 H new ATOM 2444 N GLY A 156 11.780 -0.850 -0.668 1.00 0.66 N ATOM 2445 CA GLY A 156 11.628 0.500 -1.157 1.00 0.64 C ATOM 2446 C GLY A 156 11.489 0.606 -2.649 1.00 0.78 C ATOM 2447 O GLY A 156 11.779 -0.332 -3.398 1.00 1.10 O ATOM 0 H GLY A 156 12.631 -1.007 -0.128 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.750 0.946 -0.690 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.490 1.087 -0.842 1.00 0.64 H new ATOM 2451 N ASN A 157 11.053 1.781 -3.049 1.00 0.70 N ATOM 2452 CA ASN A 157 10.779 2.122 -4.428 1.00 0.80 C ATOM 2453 C ASN A 157 11.876 1.648 -5.362 1.00 1.14 C ATOM 2454 O ASN A 157 12.988 2.171 -5.343 1.00 1.29 O ATOM 2455 CB ASN A 157 10.626 3.629 -4.500 1.00 0.70 C ATOM 2456 CG ASN A 157 10.370 4.138 -5.896 1.00 0.77 C ATOM 2457 OD1 ASN A 157 9.125 4.069 -6.320 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 11.288 4.568 -6.594 1.00 0.76 N flip ATOM 0 H ASN A 157 10.874 2.550 -2.403 1.00 0.70 H new ATOM 0 HA ASN A 157 9.867 1.622 -4.754 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.804 3.935 -3.853 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.530 4.098 -4.110 1.00 0.70 H new ATOM 0 HD21 ASN A 157 12.238 4.603 -6.223 1.00 0.76 H new ATOM 0 HD22 ASN A 157 11.099 4.890 -7.543 1.00 0.76 H new ATOM 2969 N GLY B1005 -11.879 -13.226 2.736 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.080 -13.376 3.913 1.00 1.07 C ATOM 2971 C GLY B1005 -10.056 -14.481 3.726 1.00 1.05 C ATOM 2972 O GLY B1005 -8.857 -14.221 3.729 1.00 1.20 O ATOM 0 HA2 GLY B1005 -10.573 -12.437 4.137 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.719 -13.605 4.766 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.538 -15.700 3.489 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.665 -16.842 3.213 1.00 1.08 C ATOM 2978 C ARG B1006 -8.748 -16.585 2.022 1.00 1.04 C ATOM 2979 O ARG B1006 -7.578 -16.955 2.041 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.485 -18.101 2.934 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.201 -18.651 4.147 1.00 1.24 C ATOM 2982 CD ARG B1006 -10.234 -18.892 5.295 1.00 1.55 C ATOM 2983 NE ARG B1006 -10.918 -19.241 6.537 1.00 1.88 N ATOM 2984 CZ ARG B1006 -10.294 -19.458 7.694 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -8.969 -19.382 7.769 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -11.002 -19.750 8.775 1.00 2.87 N ATOM 0 H ARG B1006 -11.533 -15.924 3.482 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.054 -16.986 4.104 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.220 -17.879 2.161 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.825 -18.871 2.535 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.977 -17.953 4.462 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -11.699 -19.585 3.886 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -9.547 -19.694 5.025 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -9.633 -17.997 5.454 1.00 1.55 H new ATOM 0 HE ARG B1006 -11.934 -19.324 6.518 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -8.423 -19.156 6.937 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -8.498 -19.549 8.658 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.019 -19.808 8.718 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -10.530 -19.917 9.664 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.283 -15.954 0.985 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.531 -15.749 -0.246 1.00 1.05 C ATOM 3002 C ALA B1007 -7.369 -14.801 -0.034 1.00 1.02 C ATOM 3003 O ALA B1007 -6.239 -15.121 -0.356 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.432 -15.216 -1.346 1.00 1.10 C ATOM 0 H ALA B1007 -10.231 -15.577 0.971 1.00 1.02 H new ATOM 0 HA ALA B1007 -8.134 -16.718 -0.548 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.849 -15.071 -2.255 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -10.233 -15.930 -1.539 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.862 -14.264 -1.035 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.652 -13.643 0.525 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.655 -12.598 0.668 1.00 0.83 C ATOM 3012 C LEU B1008 -5.684 -12.927 1.785 1.00 0.78 C ATOM 3013 O LEU B1008 -4.493 -12.627 1.695 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.336 -11.255 0.905 1.00 0.90 C ATOM 3015 CG LEU B1008 -7.984 -10.627 -0.335 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -6.951 -10.517 -1.432 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.180 -11.427 -0.824 1.00 1.33 C ATOM 0 H LEU B1008 -8.572 -13.399 0.891 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.081 -12.533 -0.256 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.101 -11.383 1.670 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.600 -10.557 1.304 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.350 -9.638 -0.061 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -7.406 -10.071 -2.317 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.126 -9.891 -1.093 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -6.575 -11.510 -1.679 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.606 -10.944 -1.703 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -8.861 -12.437 -1.083 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -9.932 -11.475 -0.037 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.208 -13.516 2.847 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.381 -14.166 3.851 1.00 0.78 C ATOM 3031 C ALA B1009 -4.322 -15.038 3.174 1.00 0.80 C ATOM 3032 O ALA B1009 -3.139 -14.983 3.495 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.216 -15.041 4.754 1.00 0.88 C ATOM 0 H ALA B1009 -7.209 -13.557 3.037 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.904 -13.386 4.445 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.574 -15.516 5.496 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.966 -14.432 5.259 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.712 -15.808 4.160 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.785 -15.828 2.212 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.950 -16.777 1.490 1.00 0.94 C ATOM 3041 C ALA B1010 -3.049 -16.087 0.463 1.00 0.92 C ATOM 3042 O ALA B1010 -1.822 -16.175 0.535 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.844 -17.793 0.799 1.00 1.03 C ATOM 0 H ALA B1010 -5.759 -15.827 1.910 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.296 -17.272 2.208 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.228 -18.509 0.255 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.440 -18.320 1.544 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.506 -17.280 0.101 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.672 -15.406 -0.492 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.962 -14.754 -1.589 1.00 0.93 C ATOM 3051 C PHE B1011 -1.959 -13.723 -1.082 1.00 0.85 C ATOM 3052 O PHE B1011 -0.895 -13.536 -1.675 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.958 -14.080 -2.545 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.680 -15.036 -3.457 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -4.033 -15.648 -4.524 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -6.012 -15.326 -3.240 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.703 -16.522 -5.347 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -6.687 -16.202 -4.063 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.987 -16.799 -5.156 1.00 1.46 C ATOM 0 H PHE B1011 -4.685 -15.290 -0.529 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.410 -15.527 -2.123 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.693 -13.530 -1.958 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.424 -13.349 -3.152 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.991 -15.434 -4.709 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.532 -14.861 -2.415 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -4.175 -16.992 -6.164 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -7.727 -16.433 -3.885 1.00 1.32 H new ATOM 0 HZ PHE B1011 -6.501 -17.474 -5.825 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.294 -13.076 0.025 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.461 -12.012 0.545 1.00 0.72 C ATOM 3071 C GLY B1012 -0.117 -12.492 1.049 1.00 0.73 C ATOM 3072 O GLY B1012 0.824 -11.706 1.157 1.00 0.78 O ATOM 0 H GLY B1012 -3.131 -13.270 0.574 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.303 -11.269 -0.237 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.988 -11.512 1.358 1.00 0.72 H new ATOM 3076 N ASP B1013 -0.017 -13.777 1.357 1.00 0.78 N ATOM 3077 CA ASP B1013 1.245 -14.342 1.824 1.00 0.86 C ATOM 3078 C ASP B1013 2.298 -14.339 0.713 1.00 0.93 C ATOM 3079 O ASP B1013 3.499 -14.363 0.984 1.00 1.06 O ATOM 3080 CB ASP B1013 1.042 -15.764 2.348 1.00 0.98 C ATOM 3081 CG ASP B1013 2.301 -16.330 2.978 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.632 -15.941 4.118 1.00 1.48 O ATOM 3083 OD2 ASP B1013 2.964 -17.172 2.332 1.00 1.90 O ATOM 0 H ASP B1013 -0.786 -14.445 1.294 1.00 0.78 H new ATOM 0 HA ASP B1013 1.604 -13.714 2.640 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.237 -15.767 3.083 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.727 -16.409 1.528 1.00 0.98 H new ATOM 3088 N CYS B1014 1.850 -14.246 -0.540 1.00 0.93 N ATOM 3089 CA CYS B1014 2.753 -14.322 -1.682 1.00 1.06 C ATOM 3090 C CYS B1014 3.434 -12.980 -1.929 1.00 1.08 C ATOM 3091 O CYS B1014 4.242 -12.842 -2.842 1.00 1.44 O ATOM 3092 CB CYS B1014 1.997 -14.775 -2.934 1.00 1.12 C ATOM 3093 SG CYS B1014 1.795 -16.585 -3.085 1.00 1.34 S ATOM 0 H CYS B1014 0.868 -14.118 -0.786 1.00 0.93 H new ATOM 0 HA CYS B1014 3.524 -15.058 -1.455 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.011 -14.311 -2.935 1.00 1.12 H new ATOM 0 HB3 CYS B1014 2.524 -14.406 -3.814 1.00 1.12 H new ATOM 0 HG CYS B1014 1.142 -16.859 -4.175 1.00 1.34 H new