USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=37 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= -3.43! C(o=-4.6!,f=-4.5!) USER MOD Set 1.2: A 135 ASN : amide:sc= -1.18! X(o=-4.6!,f=-4.5) USER MOD Set 2.1: A 69 THR OG1 : rot -94:sc= 0.26 USER MOD Set 2.2: A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -0.201 X(o=-1,f=-0.71) USER MOD Set 3.2: A 157 ASN :FLIP amide:sc= -0.505 X(o=-1.2,f=-0.71) USER MOD Single : A 3 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.57) USER MOD Single : A 4 SER OG : rot 180:sc= 0 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+ -140:sc= 0.429 (180deg=-0.514) USER MOD Single : A 18 SER OG : rot 67:sc= 0.0965 USER MOD Single : A 19 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.86) 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -7:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= -0.917 K(o=-0.92,f=-1.9) USER MOD Single : A 28 SER OG : rot 168:sc= -1.89! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -153:sc= 1.08 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= -1.4 (180deg=-1.51) USER MOD Single : A 61 TYR OH : rot 166:sc= -0.168 USER MOD Single : A 66 SER OG : rot 5:sc= 0.0166 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.327 F(o=-3.1!,f=-0.33) USER MOD Single : A 73 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.0032) USER MOD Single : A 75 THR OG1 : rot -131:sc= -2.09! USER MOD Single : A 78 THR OG1 : rot 111:sc= -1.13 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.896 F(o=-2.2!,f=-0.9) USER MOD Single : A 82 SER OG : rot -155:sc= 1.24 USER MOD Single : A 85 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-0.95) USER MOD Single : A 88 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.32) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.441 F(o=-3.8!,f=-0.44) USER MOD Single : A 105 SER OG : rot 90:sc= -1.26 USER MOD Single : A 111 CYS SG : rot -175:sc= -5.33! USER MOD Single : A 114 SER OG : rot 79:sc= 1.23 USER MOD Single : A 119 MET CE :methyl -132:sc= -3.24 (180deg=-5.63!) USER MOD Single : A 120 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.4!) USER MOD Single : A 124 SER OG : rot -120:sc= -0.0143 USER MOD Single : A 130 MET CE :methyl 167:sc= -3.6! (180deg=-4.14) USER MOD Single : A 132 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0624 K(o=-0.062,f=-0.74) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.21 F(o=-3.3!,f=-0.21) USER MOD Single : A 150 THR OG1 : rot -150:sc= -0.014 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 -0.784 9.987 11.708 1.00 0.73 N ATOM 32 CA GLN A 3 -1.489 10.511 10.545 1.00 0.73 C ATOM 33 C GLN A 3 -0.674 10.311 9.274 1.00 0.61 C ATOM 34 O GLN A 3 -1.173 10.515 8.171 1.00 0.64 O ATOM 35 CB GLN A 3 -1.799 11.997 10.732 1.00 0.83 C ATOM 36 CG GLN A 3 -3.022 12.264 11.592 1.00 1.13 C ATOM 37 CD GLN A 3 -2.930 11.613 12.956 1.00 1.76 C ATOM 38 OE1 GLN A 3 -2.400 12.198 13.899 1.00 2.42 O ATOM 39 NE2 GLN A 3 -3.449 10.397 13.067 1.00 2.22 N ATOM 0 HA GLN A 3 -2.424 9.960 10.447 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.935 12.485 11.184 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.948 12.454 9.753 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.147 13.340 11.715 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.910 11.897 11.078 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -3.879 9.950 12.257 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -3.418 9.909 13.962 1.00 2.22 H new ATOM 48 N SER A 4 0.582 9.912 9.433 1.00 0.55 N ATOM 49 CA SER A 4 1.459 9.692 8.288 1.00 0.52 C ATOM 50 C SER A 4 0.946 8.552 7.413 1.00 0.45 C ATOM 51 O SER A 4 1.042 8.612 6.187 1.00 0.46 O ATOM 52 CB SER A 4 2.884 9.396 8.757 1.00 0.61 C ATOM 53 OG SER A 4 2.912 8.287 9.635 1.00 1.25 O ATOM 0 H SER A 4 1.015 9.735 10.339 1.00 0.55 H new ATOM 0 HA SER A 4 1.465 10.603 7.690 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.520 9.197 7.894 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.294 10.272 9.260 1.00 0.61 H new ATOM 0 HG SER A 4 3.835 8.118 9.919 1.00 1.25 H new ATOM 59 N ASN A 5 0.397 7.517 8.043 1.00 0.43 N ATOM 60 CA ASN A 5 -0.126 6.371 7.306 1.00 0.39 C ATOM 61 C ASN A 5 -1.313 6.779 6.437 1.00 0.35 C ATOM 62 O ASN A 5 -1.700 6.053 5.521 1.00 0.35 O ATOM 63 CB ASN A 5 -0.526 5.248 8.265 1.00 0.40 C ATOM 64 CG ASN A 5 -1.459 5.721 9.357 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.275 6.615 9.145 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.338 5.125 10.537 1.00 0.53 N ATOM 0 H ASN A 5 0.303 7.448 9.056 1.00 0.43 H new ATOM 0 HA ASN A 5 0.664 6.001 6.653 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.007 4.449 7.702 1.00 0.40 H new ATOM 0 HB3 ASN A 5 0.371 4.824 8.717 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.937 5.405 11.314 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.646 4.387 10.667 1.00 0.53 H new ATOM 73 N ARG A 6 -1.892 7.941 6.735 1.00 0.35 N ATOM 74 CA ARG A 6 -3.022 8.452 5.965 1.00 0.34 C ATOM 75 C ARG A 6 -2.612 8.645 4.511 1.00 0.31 C ATOM 76 O ARG A 6 -3.379 8.360 3.592 1.00 0.30 O ATOM 77 CB ARG A 6 -3.513 9.780 6.549 1.00 0.41 C ATOM 78 CG ARG A 6 -4.613 10.442 5.735 1.00 0.59 C ATOM 79 CD ARG A 6 -5.921 9.677 5.839 1.00 0.41 C ATOM 80 NE ARG A 6 -6.483 9.738 7.185 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.784 9.666 7.442 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.650 9.530 6.450 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.220 9.731 8.692 1.00 0.93 N ATOM 0 H ARG A 6 -1.597 8.544 7.503 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.835 7.728 6.017 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.878 9.608 7.562 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.669 10.466 6.626 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.760 11.464 6.084 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.308 10.502 4.690 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.638 10.086 5.127 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.755 8.636 5.562 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.841 9.842 7.971 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.318 9.480 5.487 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.649 9.475 6.649 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.556 9.837 9.459 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.220 9.676 8.887 1.00 0.93 H new ATOM 97 N GLU A 7 -1.391 9.134 4.318 1.00 0.30 N ATOM 98 CA GLU A 7 -0.857 9.364 2.983 1.00 0.29 C ATOM 99 C GLU A 7 -0.712 8.047 2.235 1.00 0.25 C ATOM 100 O GLU A 7 -1.036 7.953 1.052 1.00 0.26 O ATOM 101 CB GLU A 7 0.503 10.054 3.072 1.00 0.31 C ATOM 102 CG GLU A 7 0.486 11.336 3.887 1.00 0.40 C ATOM 103 CD GLU A 7 1.878 11.876 4.139 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.577 12.194 3.155 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.269 11.981 5.320 1.00 0.53 O ATOM 0 H GLU A 7 -0.751 9.379 5.074 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.551 10.006 2.441 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.222 9.364 3.512 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.853 10.279 2.064 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.104 12.089 3.364 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.008 11.151 4.841 1.00 0.40 H new ATOM 112 N LEU A 8 -0.219 7.034 2.938 1.00 0.26 N ATOM 113 CA LEU A 8 -0.029 5.714 2.352 1.00 0.27 C ATOM 114 C LEU A 8 -1.330 5.214 1.736 1.00 0.28 C ATOM 115 O LEU A 8 -1.329 4.602 0.668 1.00 0.40 O ATOM 116 CB LEU A 8 0.470 4.730 3.413 1.00 0.34 C ATOM 117 CG LEU A 8 1.945 4.871 3.802 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.226 6.245 4.390 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.336 3.783 4.787 1.00 1.16 C ATOM 0 H LEU A 8 0.057 7.103 3.918 1.00 0.26 H new ATOM 0 HA LEU A 8 0.721 5.788 1.564 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.137 4.851 4.310 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.303 3.716 3.050 1.00 0.34 H new ATOM 0 HG LEU A 8 2.546 4.761 2.900 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.280 6.318 4.657 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.985 7.012 3.654 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.615 6.392 5.281 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.387 3.895 5.055 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.722 3.866 5.684 1.00 1.16 H new ATOM 0 HD23 LEU A 8 2.180 2.806 4.330 1.00 1.16 H new ATOM 131 N VAL A 9 -2.437 5.480 2.421 1.00 0.23 N ATOM 132 CA VAL A 9 -3.752 5.080 1.938 1.00 0.23 C ATOM 133 C VAL A 9 -4.173 5.966 0.772 1.00 0.23 C ATOM 134 O VAL A 9 -4.325 5.500 -0.356 1.00 0.24 O ATOM 135 CB VAL A 9 -4.816 5.183 3.050 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.201 4.870 2.502 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.476 4.259 4.209 1.00 0.27 C ATOM 0 H VAL A 9 -2.449 5.972 3.314 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.681 4.041 1.615 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.820 6.208 3.421 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.936 4.949 3.303 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.448 5.579 1.712 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.212 3.858 2.098 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.240 4.348 4.982 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.437 3.229 3.854 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.507 4.537 4.623 1.00 0.27 H new ATOM 147 N VAL A 10 -4.356 7.247 1.071 1.00 0.23 N ATOM 148 CA VAL A 10 -4.760 8.237 0.081 1.00 0.25 C ATOM 149 C VAL A 10 -3.977 8.101 -1.223 1.00 0.25 C ATOM 150 O VAL A 10 -4.545 7.761 -2.259 1.00 0.27 O ATOM 151 CB VAL A 10 -4.568 9.661 0.637 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.723 10.701 -0.462 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.548 9.920 1.771 1.00 0.32 C ATOM 0 H VAL A 10 -4.228 7.628 2.008 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.813 8.058 -0.134 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.555 9.743 1.030 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.583 11.697 -0.043 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -3.977 10.525 -1.237 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.721 10.627 -0.895 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.402 10.930 2.155 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.568 9.817 1.401 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.378 9.199 2.571 1.00 0.32 H new ATOM 163 N ASP A 11 -2.678 8.379 -1.160 1.00 0.26 N ATOM 164 CA ASP A 11 -1.804 8.309 -2.331 1.00 0.28 C ATOM 165 C ASP A 11 -2.071 7.064 -3.175 1.00 0.31 C ATOM 166 O ASP A 11 -1.946 7.101 -4.399 1.00 0.35 O ATOM 167 CB ASP A 11 -0.339 8.330 -1.896 1.00 0.32 C ATOM 168 CG ASP A 11 0.614 8.362 -3.074 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.979 7.277 -3.573 1.00 0.49 O ATOM 170 OD2 ASP A 11 0.995 9.473 -3.499 1.00 0.59 O ATOM 0 H ASP A 11 -2.202 8.658 -0.302 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.020 9.181 -2.948 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.163 9.202 -1.266 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.131 7.450 -1.288 1.00 0.32 H new ATOM 175 N PHE A 12 -2.440 5.966 -2.524 1.00 0.32 N ATOM 176 CA PHE A 12 -2.709 4.723 -3.236 1.00 0.38 C ATOM 177 C PHE A 12 -4.076 4.759 -3.913 1.00 0.34 C ATOM 178 O PHE A 12 -4.205 4.391 -5.081 1.00 0.39 O ATOM 179 CB PHE A 12 -2.622 3.527 -2.291 1.00 0.46 C ATOM 180 CG PHE A 12 -2.139 2.280 -2.972 1.00 0.76 C ATOM 181 CD1 PHE A 12 -2.978 1.562 -3.806 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.841 1.832 -2.785 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.532 0.421 -4.442 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.391 0.690 -3.417 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.238 -0.017 -4.248 1.00 1.61 C ATOM 0 H PHE A 12 -2.559 5.911 -1.512 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.948 4.615 -4.008 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.950 3.769 -1.467 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.604 3.341 -1.857 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -3.993 1.898 -3.961 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.174 2.382 -2.138 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.196 -0.129 -5.092 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.622 0.350 -3.262 1.00 1.61 H new ATOM 0 HZ PHE A 12 -0.888 -0.910 -4.745 1.00 1.61 H new ATOM 195 N LEU A 13 -5.096 5.197 -3.178 1.00 0.28 N ATOM 196 CA LEU A 13 -6.446 5.283 -3.727 1.00 0.28 C ATOM 197 C LEU A 13 -6.478 6.229 -4.920 1.00 0.30 C ATOM 198 O LEU A 13 -7.182 5.988 -5.900 1.00 0.34 O ATOM 199 CB LEU A 13 -7.436 5.758 -2.660 1.00 0.25 C ATOM 200 CG LEU A 13 -8.015 4.655 -1.773 1.00 0.26 C ATOM 201 CD1 LEU A 13 -6.946 4.085 -0.855 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.189 5.182 -0.964 1.00 0.27 C ATOM 0 H LEU A 13 -5.014 5.496 -2.206 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.740 4.287 -4.058 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.937 6.489 -2.024 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.259 6.274 -3.155 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.374 3.852 -2.417 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.380 3.302 -0.233 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.138 3.666 -1.454 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.553 4.878 -0.218 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.588 4.383 -0.339 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -8.855 6.005 -0.332 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -9.967 5.536 -1.640 1.00 0.27 H new ATOM 214 N SER A 14 -5.707 7.307 -4.826 1.00 0.29 N ATOM 215 CA SER A 14 -5.633 8.293 -5.895 1.00 0.33 C ATOM 216 C SER A 14 -4.949 7.694 -7.116 1.00 0.37 C ATOM 217 O SER A 14 -5.385 7.895 -8.250 1.00 0.42 O ATOM 218 CB SER A 14 -4.870 9.531 -5.420 1.00 0.33 C ATOM 219 OG SER A 14 -4.824 10.521 -6.432 1.00 1.05 O ATOM 0 H SER A 14 -5.123 7.519 -4.017 1.00 0.29 H new ATOM 0 HA SER A 14 -6.646 8.588 -6.169 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.350 9.938 -4.530 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.856 9.250 -5.135 1.00 0.33 H new ATOM 0 HG SER A 14 -4.332 11.302 -6.103 1.00 1.05 H new ATOM 225 N TYR A 15 -3.875 6.952 -6.869 1.00 0.37 N ATOM 226 CA TYR A 15 -3.123 6.308 -7.936 1.00 0.45 C ATOM 227 C TYR A 15 -3.944 5.188 -8.565 1.00 0.43 C ATOM 228 O TYR A 15 -3.730 4.817 -9.719 1.00 0.55 O ATOM 229 CB TYR A 15 -1.807 5.750 -7.388 1.00 0.52 C ATOM 230 CG TYR A 15 -0.975 5.018 -8.417 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.215 5.716 -9.346 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.949 3.629 -8.457 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.548 5.051 -10.288 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.189 2.957 -9.395 1.00 1.06 C ATOM 235 CZ TYR A 15 0.557 3.672 -10.308 1.00 1.03 C ATOM 236 OH TYR A 15 1.315 3.007 -11.244 1.00 1.22 O ATOM 0 H TYR A 15 -3.505 6.782 -5.934 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.902 7.050 -8.703 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.219 6.571 -6.977 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.027 5.072 -6.564 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.220 6.796 -9.333 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.532 3.066 -7.743 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.134 5.608 -11.004 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.179 1.877 -9.413 1.00 1.06 H new ATOM 0 HH TYR A 15 1.212 2.040 -11.122 1.00 1.22 H new ATOM 246 N LYS A 16 -4.890 4.658 -7.796 1.00 0.33 N ATOM 247 CA LYS A 16 -5.742 3.578 -8.272 1.00 0.33 C ATOM 248 C LYS A 16 -6.935 4.130 -9.041 1.00 0.33 C ATOM 249 O LYS A 16 -7.604 3.403 -9.776 1.00 0.42 O ATOM 250 CB LYS A 16 -6.214 2.719 -7.094 1.00 0.34 C ATOM 251 CG LYS A 16 -6.502 1.266 -7.458 1.00 0.61 C ATOM 252 CD LYS A 16 -5.357 0.628 -8.240 1.00 0.57 C ATOM 253 CE LYS A 16 -4.046 0.663 -7.467 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.867 0.603 -8.373 1.00 1.41 N ATOM 0 H LYS A 16 -5.085 4.960 -6.841 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.161 2.953 -8.950 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -5.454 2.743 -6.313 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.116 3.163 -6.674 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -6.681 0.694 -6.547 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -7.416 1.216 -8.050 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -5.611 -0.406 -8.475 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.232 1.150 -9.189 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.000 1.574 -6.871 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -4.012 -0.175 -6.771 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.138 -0.009 -7.954 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -3.156 0.217 -9.294 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -2.481 1.560 -8.505 1.00 1.41 H new ATOM 268 N LEU A 17 -7.195 5.420 -8.867 1.00 0.33 N ATOM 269 CA LEU A 17 -8.297 6.074 -9.556 1.00 0.32 C ATOM 270 C LEU A 17 -7.822 6.633 -10.892 1.00 0.35 C ATOM 271 O LEU A 17 -8.628 6.994 -11.750 1.00 0.36 O ATOM 272 CB LEU A 17 -8.882 7.189 -8.686 1.00 0.35 C ATOM 273 CG LEU A 17 -10.355 7.014 -8.303 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.579 5.679 -7.609 1.00 1.35 C ATOM 275 CD2 LEU A 17 -10.809 8.157 -7.410 1.00 1.15 C ATOM 0 H LEU A 17 -6.657 6.033 -8.254 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.079 5.339 -9.744 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.292 7.262 -7.772 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -8.771 8.136 -9.214 1.00 0.35 H new ATOM 0 HG LEU A 17 -10.949 7.027 -9.217 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.632 5.577 -7.347 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -10.292 4.868 -8.279 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.974 5.633 -6.704 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.858 8.018 -7.146 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -10.206 8.171 -6.502 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -10.690 9.102 -7.940 1.00 1.15 H new ATOM 287 N SER A 18 -6.503 6.694 -11.058 1.00 0.41 N ATOM 288 CA SER A 18 -5.907 7.201 -12.289 1.00 0.48 C ATOM 289 C SER A 18 -6.025 6.173 -13.409 1.00 0.51 C ATOM 290 O SER A 18 -6.222 6.530 -14.571 1.00 0.58 O ATOM 291 CB SER A 18 -4.437 7.558 -12.063 1.00 0.57 C ATOM 292 OG SER A 18 -4.308 8.652 -11.173 1.00 0.94 O ATOM 0 H SER A 18 -5.827 6.398 -10.354 1.00 0.41 H new ATOM 0 HA SER A 18 -6.449 8.100 -12.582 1.00 0.48 H new ATOM 0 HB2 SER A 18 -3.908 6.694 -11.661 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.969 7.804 -13.016 1.00 0.57 H new ATOM 0 HG SER A 18 -4.615 8.386 -10.281 1.00 0.94 H new ATOM 298 N GLN A 19 -5.905 4.896 -13.053 1.00 0.52 N ATOM 299 CA GLN A 19 -6.004 3.818 -14.032 1.00 0.57 C ATOM 300 C GLN A 19 -7.440 3.677 -14.527 1.00 0.51 C ATOM 301 O GLN A 19 -7.724 2.884 -15.425 1.00 0.59 O ATOM 302 CB GLN A 19 -5.527 2.496 -13.423 1.00 0.68 C ATOM 303 CG GLN A 19 -6.396 2.000 -12.278 1.00 0.84 C ATOM 304 CD GLN A 19 -5.931 0.668 -11.723 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.740 0.358 -11.735 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.873 -0.132 -11.236 1.00 1.19 N ATOM 0 H GLN A 19 -5.740 4.584 -12.096 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.364 4.065 -14.879 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.501 1.735 -14.203 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.505 2.619 -13.064 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.395 2.742 -11.479 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.425 1.905 -12.624 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.849 0.165 -11.246 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.620 -1.043 -10.852 1.00 1.19 H new ATOM 315 N LYS A 20 -8.337 4.456 -13.932 1.00 0.45 N ATOM 316 CA LYS A 20 -9.747 4.427 -14.299 1.00 0.49 C ATOM 317 C LYS A 20 -10.142 5.705 -15.028 1.00 0.48 C ATOM 318 O LYS A 20 -11.086 5.715 -15.819 1.00 0.53 O ATOM 319 CB LYS A 20 -10.610 4.266 -13.046 1.00 0.57 C ATOM 320 CG LYS A 20 -10.148 3.146 -12.127 1.00 0.49 C ATOM 321 CD LYS A 20 -10.230 1.789 -12.808 1.00 1.20 C ATOM 322 CE LYS A 20 -11.667 1.419 -13.143 1.00 1.75 C ATOM 323 NZ LYS A 20 -11.768 0.046 -13.707 1.00 2.20 N ATOM 0 H LYS A 20 -8.110 5.118 -13.190 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.909 3.580 -14.965 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.608 5.204 -12.491 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.640 4.076 -13.347 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.121 3.334 -11.812 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.761 3.138 -11.226 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.634 1.802 -13.721 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.799 1.028 -12.158 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.279 1.488 -12.244 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -12.069 2.136 -13.858 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -12.763 -0.169 -13.922 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -11.204 -0.013 -14.579 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -11.408 -0.641 -13.014 1.00 2.20 H new ATOM 337 N GLY A 21 -9.411 6.779 -14.753 1.00 0.45 N ATOM 338 CA GLY A 21 -9.701 8.054 -15.376 1.00 0.49 C ATOM 339 C GLY A 21 -10.397 9.005 -14.424 1.00 0.47 C ATOM 340 O GLY A 21 -10.791 10.105 -14.809 1.00 0.53 O ATOM 0 H GLY A 21 -8.621 6.788 -14.108 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.773 8.506 -15.726 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.329 7.895 -16.253 1.00 0.49 H new ATOM 344 N TYR A 22 -10.550 8.574 -13.175 1.00 0.40 N ATOM 345 CA TYR A 22 -11.199 9.389 -12.156 1.00 0.37 C ATOM 346 C TYR A 22 -10.168 10.028 -11.235 1.00 0.36 C ATOM 347 O TYR A 22 -9.024 9.580 -11.161 1.00 0.38 O ATOM 348 CB TYR A 22 -12.173 8.543 -11.333 1.00 0.34 C ATOM 349 CG TYR A 22 -13.378 8.074 -12.114 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.331 6.909 -12.868 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.564 8.798 -12.096 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.431 6.479 -13.584 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.669 8.373 -12.809 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.597 7.214 -13.552 1.00 0.62 C ATOM 355 OH TYR A 22 -16.695 6.788 -14.263 1.00 0.76 O ATOM 0 H TYR A 22 -10.232 7.663 -12.845 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.753 10.179 -12.662 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.644 7.674 -10.941 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.511 9.125 -10.475 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.420 6.330 -12.895 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.623 9.707 -11.516 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.378 5.571 -14.166 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.584 8.946 -12.784 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.434 7.418 -14.132 1.00 0.76 H new ATOM 365 N SER A 23 -10.582 11.077 -10.535 1.00 0.37 N ATOM 366 CA SER A 23 -9.697 11.776 -9.614 1.00 0.39 C ATOM 367 C SER A 23 -10.132 11.543 -8.173 1.00 0.35 C ATOM 368 O SER A 23 -11.323 11.551 -7.863 1.00 0.34 O ATOM 369 CB SER A 23 -9.684 13.273 -9.923 1.00 0.45 C ATOM 370 OG SER A 23 -8.817 13.969 -9.044 1.00 0.52 O ATOM 0 H SER A 23 -11.525 11.462 -10.588 1.00 0.37 H new ATOM 0 HA SER A 23 -8.689 11.381 -9.741 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.366 13.432 -10.953 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.694 13.674 -9.836 1.00 0.45 H new ATOM 0 HG SER A 23 -8.826 14.924 -9.264 1.00 0.52 H new ATOM 376 N TRP A 24 -9.158 11.330 -7.297 1.00 0.37 N ATOM 377 CA TRP A 24 -9.435 11.092 -5.887 1.00 0.36 C ATOM 378 C TRP A 24 -9.989 12.348 -5.216 1.00 0.35 C ATOM 379 O TRP A 24 -10.967 12.283 -4.472 1.00 0.34 O ATOM 380 CB TRP A 24 -8.159 10.622 -5.178 1.00 0.45 C ATOM 381 CG TRP A 24 -8.164 10.863 -3.700 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.755 10.093 -2.741 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.548 11.956 -3.015 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.545 10.644 -1.500 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.806 11.788 -1.643 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.803 13.060 -3.431 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -7.345 12.686 -0.685 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -6.345 13.950 -2.479 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.618 13.758 -1.120 1.00 3.13 C ATOM 0 H TRP A 24 -8.167 11.317 -7.539 1.00 0.37 H new ATOM 0 HA TRP A 24 -10.193 10.312 -5.811 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -8.024 9.556 -5.362 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.302 11.133 -5.617 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.307 9.184 -2.930 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.884 10.263 -0.617 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.588 13.216 -4.478 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.554 12.541 0.365 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.767 14.808 -2.789 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -6.246 14.472 -0.400 1.00 3.13 H new ATOM 400 N SER A 25 -9.360 13.487 -5.489 1.00 0.39 N ATOM 401 CA SER A 25 -9.777 14.760 -4.904 1.00 0.44 C ATOM 402 C SER A 25 -11.238 15.077 -5.216 1.00 0.43 C ATOM 403 O SER A 25 -11.977 15.550 -4.352 1.00 0.49 O ATOM 404 CB SER A 25 -8.887 15.892 -5.415 1.00 0.53 C ATOM 405 OG SER A 25 -7.526 15.652 -5.103 1.00 1.37 O ATOM 0 H SER A 25 -8.557 13.556 -6.114 1.00 0.39 H new ATOM 0 HA SER A 25 -9.675 14.671 -3.823 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.004 15.991 -6.494 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.204 16.836 -4.972 1.00 0.53 H new ATOM 0 HG SER A 25 -7.458 14.868 -4.519 1.00 1.37 H new ATOM 411 N GLN A 26 -11.646 14.815 -6.453 1.00 0.40 N ATOM 412 CA GLN A 26 -13.015 15.087 -6.887 1.00 0.42 C ATOM 413 C GLN A 26 -14.045 14.379 -6.011 1.00 0.38 C ATOM 414 O GLN A 26 -15.195 14.810 -5.927 1.00 0.41 O ATOM 415 CB GLN A 26 -13.207 14.660 -8.343 1.00 0.47 C ATOM 416 CG GLN A 26 -12.421 15.499 -9.337 1.00 0.59 C ATOM 417 CD GLN A 26 -12.618 15.037 -10.768 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.852 13.856 -11.025 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.524 15.968 -11.710 1.00 1.10 N ATOM 0 H GLN A 26 -11.048 14.414 -7.175 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.173 16.161 -6.793 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.910 13.616 -8.448 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.267 14.717 -8.592 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.726 16.542 -9.250 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.361 15.455 -9.087 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.329 16.936 -11.453 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.647 15.716 -12.691 1.00 1.10 H new ATOM 428 N PHE A 27 -13.636 13.295 -5.359 1.00 0.35 N ATOM 429 CA PHE A 27 -14.550 12.535 -4.511 1.00 0.38 C ATOM 430 C PHE A 27 -13.993 12.343 -3.104 1.00 0.43 C ATOM 431 O PHE A 27 -14.480 11.499 -2.350 1.00 0.67 O ATOM 432 CB PHE A 27 -14.833 11.173 -5.141 1.00 0.43 C ATOM 433 CG PHE A 27 -15.180 11.245 -6.600 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.331 11.891 -7.022 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.357 10.662 -7.549 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.654 11.954 -8.364 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.674 10.721 -8.892 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.824 11.368 -9.300 1.00 1.28 C ATOM 0 H PHE A 27 -12.686 12.925 -5.400 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.475 13.106 -4.430 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.958 10.535 -5.015 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.654 10.697 -4.604 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.983 12.350 -6.294 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.456 10.155 -7.235 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.554 12.460 -8.681 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.024 10.262 -9.622 1.00 1.20 H new ATOM 0 HZ PHE A 27 -16.074 11.416 -10.350 1.00 1.28 H new ATOM 448 N SER A 28 -12.983 13.126 -2.748 1.00 0.39 N ATOM 449 CA SER A 28 -12.377 13.018 -1.426 1.00 0.42 C ATOM 450 C SER A 28 -12.895 14.099 -0.487 1.00 0.58 C ATOM 451 O SER A 28 -13.720 14.930 -0.867 1.00 1.01 O ATOM 452 CB SER A 28 -10.856 13.111 -1.522 1.00 0.62 C ATOM 453 OG SER A 28 -10.450 14.413 -1.896 1.00 1.81 O ATOM 0 H SER A 28 -12.568 13.837 -3.350 1.00 0.39 H new ATOM 0 HA SER A 28 -12.654 12.045 -1.020 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.411 12.849 -0.562 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.489 12.388 -2.251 1.00 0.62 H new ATOM 0 HG SER A 28 -9.483 14.504 -1.765 1.00 1.81 H new ATOM 459 N ASP A 29 -12.394 14.074 0.740 1.00 0.63 N ATOM 460 CA ASP A 29 -12.786 15.036 1.760 1.00 0.84 C ATOM 461 C ASP A 29 -11.811 14.976 2.931 1.00 0.88 C ATOM 462 O ASP A 29 -11.765 15.875 3.770 1.00 1.03 O ATOM 463 CB ASP A 29 -14.210 14.742 2.238 1.00 1.04 C ATOM 464 CG ASP A 29 -14.656 15.667 3.351 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.332 15.384 4.523 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.333 16.673 3.052 1.00 1.85 O ATOM 0 H ASP A 29 -11.707 13.389 1.056 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.762 16.039 1.333 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.897 14.834 1.397 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.267 13.710 2.584 1.00 1.04 H new ATOM 471 N VAL A 30 -11.029 13.902 2.965 1.00 0.80 N ATOM 472 CA VAL A 30 -10.045 13.688 4.018 1.00 0.82 C ATOM 473 C VAL A 30 -9.028 14.829 4.086 1.00 0.82 C ATOM 474 O VAL A 30 -9.097 15.675 4.977 1.00 0.92 O ATOM 475 CB VAL A 30 -9.312 12.343 3.827 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.114 11.214 4.453 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.068 12.058 2.352 1.00 0.76 C ATOM 0 H VAL A 30 -11.060 13.159 2.267 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.591 13.663 4.961 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.345 12.411 4.325 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.586 10.271 4.311 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.238 11.404 5.519 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.093 11.157 3.978 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.550 11.105 2.246 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.022 12.013 1.827 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.456 12.852 1.924 1.00 0.76 H new ATOM 487 N GLU A 31 -8.084 14.850 3.148 1.00 0.78 N ATOM 488 CA GLU A 31 -7.062 15.891 3.114 1.00 0.83 C ATOM 489 C GLU A 31 -7.550 17.098 2.325 1.00 0.88 C ATOM 490 O GLU A 31 -6.859 18.113 2.229 1.00 0.98 O ATOM 491 CB GLU A 31 -5.778 15.354 2.485 1.00 0.93 C ATOM 492 CG GLU A 31 -5.239 14.112 3.170 1.00 1.05 C ATOM 493 CD GLU A 31 -3.956 13.617 2.539 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.060 14.449 2.285 1.00 2.46 O ATOM 495 OE2 GLU A 31 -3.845 12.398 2.299 1.00 2.74 O ATOM 0 H GLU A 31 -8.006 14.158 2.402 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.858 16.199 4.140 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.965 15.128 1.435 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.016 16.133 2.512 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -5.063 14.329 4.224 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.989 13.323 3.128 1.00 1.05 H new ATOM 502 N GLU A 32 -8.745 16.976 1.762 1.00 0.87 N ATOM 503 CA GLU A 32 -9.336 18.046 0.971 1.00 0.98 C ATOM 504 C GLU A 32 -9.692 19.248 1.840 1.00 1.09 C ATOM 505 O GLU A 32 -9.388 20.389 1.491 1.00 1.24 O ATOM 506 CB GLU A 32 -10.585 17.529 0.254 1.00 0.98 C ATOM 507 CG GLU A 32 -11.324 18.595 -0.539 1.00 1.12 C ATOM 508 CD GLU A 32 -12.561 18.053 -1.227 1.00 1.20 C ATOM 509 OE1 GLU A 32 -13.643 18.070 -0.603 1.00 1.17 O ATOM 510 OE2 GLU A 32 -12.447 17.610 -2.389 1.00 1.45 O ATOM 0 H GLU A 32 -9.326 16.142 1.840 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.601 18.371 0.235 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.297 16.722 -0.420 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.265 17.102 0.991 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.610 19.407 0.129 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.653 19.018 -1.286 1.00 1.12 H new ATOM 630 N THR A 41 6.280 13.623 5.093 1.00 1.12 N ATOM 631 CA THR A 41 7.314 13.722 6.119 1.00 0.86 C ATOM 632 C THR A 41 8.184 12.469 6.123 1.00 0.75 C ATOM 633 O THR A 41 9.397 12.540 5.927 1.00 0.85 O ATOM 634 CB THR A 41 6.703 13.933 7.520 1.00 0.80 C ATOM 635 OG1 THR A 41 7.682 13.653 8.528 1.00 0.95 O ATOM 636 CG2 THR A 41 5.481 13.049 7.732 1.00 0.91 C ATOM 0 HA THR A 41 7.929 14.589 5.879 1.00 0.86 H new ATOM 0 HB THR A 41 6.387 14.974 7.594 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.287 13.791 9.414 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.075 13.222 8.729 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.724 13.289 6.985 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.768 12.002 7.634 1.00 0.91 H new ATOM 644 N GLU A 42 7.551 11.325 6.345 1.00 0.69 N ATOM 645 CA GLU A 42 8.244 10.045 6.359 1.00 0.66 C ATOM 646 C GLU A 42 7.595 9.109 5.352 1.00 0.54 C ATOM 647 O GLU A 42 8.191 8.126 4.913 1.00 0.56 O ATOM 648 CB GLU A 42 8.177 9.417 7.753 1.00 0.74 C ATOM 649 CG GLU A 42 6.763 9.050 8.179 1.00 0.65 C ATOM 650 CD GLU A 42 6.723 8.269 9.476 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.094 7.077 9.463 1.00 2.02 O ATOM 652 OE2 GLU A 42 6.317 8.849 10.505 1.00 1.17 O ATOM 0 H GLU A 42 6.548 11.258 6.519 1.00 0.69 H new ATOM 0 HA GLU A 42 9.289 10.207 6.095 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.799 8.522 7.771 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.599 10.113 8.478 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.175 9.961 8.291 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.293 8.461 7.391 1.00 0.65 H new ATOM 659 N SER A 43 6.362 9.443 4.992 1.00 0.48 N ATOM 660 CA SER A 43 5.581 8.649 4.060 1.00 0.43 C ATOM 661 C SER A 43 6.079 8.780 2.626 1.00 0.43 C ATOM 662 O SER A 43 5.843 7.899 1.812 1.00 0.49 O ATOM 663 CB SER A 43 4.113 9.068 4.128 1.00 0.50 C ATOM 664 OG SER A 43 3.618 8.972 5.450 1.00 1.25 O ATOM 0 H SER A 43 5.878 10.271 5.339 1.00 0.48 H new ATOM 0 HA SER A 43 5.692 7.605 4.353 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.007 10.092 3.770 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.520 8.436 3.467 1.00 0.50 H new ATOM 0 HG SER A 43 2.651 8.813 5.427 1.00 1.25 H new ATOM 670 N GLU A 44 6.766 9.873 2.317 1.00 0.46 N ATOM 671 CA GLU A 44 7.263 10.097 0.959 1.00 0.52 C ATOM 672 C GLU A 44 8.066 8.906 0.437 1.00 0.51 C ATOM 673 O GLU A 44 7.995 8.575 -0.747 1.00 0.58 O ATOM 674 CB GLU A 44 8.125 11.358 0.897 1.00 0.61 C ATOM 675 CG GLU A 44 8.568 11.706 -0.516 1.00 0.72 C ATOM 676 CD GLU A 44 9.425 12.953 -0.571 1.00 1.17 C ATOM 677 OE1 GLU A 44 8.855 14.061 -0.657 1.00 1.29 O ATOM 678 OE2 GLU A 44 10.665 12.823 -0.531 1.00 1.91 O ATOM 0 H GLU A 44 6.992 10.614 2.980 1.00 0.46 H new ATOM 0 HA GLU A 44 6.388 10.223 0.322 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.565 12.195 1.313 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.006 11.221 1.525 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.126 10.868 -0.934 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.688 11.847 -1.144 1.00 0.72 H new ATOM 685 N ALA A 45 8.822 8.262 1.318 1.00 0.48 N ATOM 686 CA ALA A 45 9.646 7.124 0.924 1.00 0.48 C ATOM 687 C ALA A 45 8.913 5.797 1.092 1.00 0.41 C ATOM 688 O ALA A 45 9.081 4.883 0.284 1.00 0.41 O ATOM 689 CB ALA A 45 10.938 7.115 1.726 1.00 0.52 C ATOM 0 H ALA A 45 8.882 8.506 2.306 1.00 0.48 H new ATOM 0 HA ALA A 45 9.874 7.236 -0.136 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.547 6.262 1.425 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.488 8.037 1.540 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.706 7.039 2.788 1.00 0.52 H new ATOM 695 N VAL A 46 8.098 5.694 2.134 1.00 0.37 N ATOM 696 CA VAL A 46 7.368 4.461 2.405 1.00 0.34 C ATOM 697 C VAL A 46 6.191 4.275 1.450 1.00 0.34 C ATOM 698 O VAL A 46 5.800 3.148 1.159 1.00 0.39 O ATOM 699 CB VAL A 46 6.868 4.412 3.864 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.903 5.015 4.798 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.530 5.120 4.016 1.00 1.13 C ATOM 0 H VAL A 46 7.926 6.445 2.803 1.00 0.37 H new ATOM 0 HA VAL A 46 8.071 3.643 2.246 1.00 0.34 H new ATOM 0 HB VAL A 46 6.721 3.366 4.134 1.00 0.49 H new ATOM 0 HG11 VAL A 46 7.536 4.973 5.823 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.833 4.452 4.722 1.00 1.41 H new ATOM 0 HG13 VAL A 46 8.084 6.053 4.519 1.00 1.41 H new ATOM 0 HG21 VAL A 46 5.206 5.067 5.055 1.00 1.13 H new ATOM 0 HG22 VAL A 46 5.635 6.164 3.722 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.788 4.637 3.380 1.00 1.13 H new ATOM 711 N LYS A 47 5.639 5.381 0.960 1.00 0.34 N ATOM 712 CA LYS A 47 4.506 5.329 0.042 1.00 0.36 C ATOM 713 C LYS A 47 4.983 4.971 -1.359 1.00 0.39 C ATOM 714 O LYS A 47 4.284 4.290 -2.110 1.00 0.43 O ATOM 715 CB LYS A 47 3.753 6.666 0.033 1.00 0.38 C ATOM 716 CG LYS A 47 4.429 7.757 -0.787 1.00 0.49 C ATOM 717 CD LYS A 47 4.085 9.149 -0.273 1.00 0.47 C ATOM 718 CE LYS A 47 2.597 9.443 -0.372 1.00 0.47 C ATOM 719 NZ LYS A 47 2.250 10.753 0.245 1.00 0.67 N ATOM 0 H LYS A 47 5.958 6.324 1.183 1.00 0.34 H new ATOM 0 HA LYS A 47 3.817 4.556 0.383 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.749 6.502 -0.358 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.642 7.015 1.060 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.509 7.616 -0.758 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.124 7.669 -1.830 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.404 9.241 0.765 1.00 0.47 H new ATOM 0 HD3 LYS A 47 4.640 9.893 -0.844 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.295 9.443 -1.419 1.00 0.47 H new ATOM 0 HE3 LYS A 47 2.036 8.649 0.121 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 1.221 10.895 0.203 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.561 10.762 1.237 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.726 11.518 -0.274 1.00 0.67 H new ATOM 733 N GLN A 48 6.179 5.440 -1.702 1.00 0.40 N ATOM 734 CA GLN A 48 6.766 5.150 -3.001 1.00 0.46 C ATOM 735 C GLN A 48 7.122 3.672 -3.077 1.00 0.45 C ATOM 736 O GLN A 48 6.998 3.040 -4.127 1.00 0.50 O ATOM 737 CB GLN A 48 8.007 6.013 -3.234 1.00 0.52 C ATOM 738 CG GLN A 48 7.686 7.441 -3.641 1.00 0.58 C ATOM 739 CD GLN A 48 6.991 7.521 -4.988 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.305 6.583 -5.876 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.185 8.417 -5.230 1.00 0.63 N flip ATOM 0 H GLN A 48 6.758 6.022 -1.097 1.00 0.40 H new ATOM 0 HA GLN A 48 6.041 5.384 -3.781 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.605 6.029 -2.323 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.620 5.552 -4.009 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.052 7.898 -2.881 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.608 8.021 -3.677 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.972 9.117 -4.520 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.729 8.460 -6.141 1.00 0.63 H new ATOM 750 N ALA A 49 7.568 3.131 -1.947 1.00 0.42 N ATOM 751 CA ALA A 49 7.919 1.722 -1.854 1.00 0.41 C ATOM 752 C ALA A 49 6.651 0.890 -1.744 1.00 0.39 C ATOM 753 O ALA A 49 6.587 -0.247 -2.211 1.00 0.42 O ATOM 754 CB ALA A 49 8.817 1.482 -0.650 1.00 0.42 C ATOM 0 H ALA A 49 7.695 3.653 -1.080 1.00 0.42 H new ATOM 0 HA ALA A 49 8.463 1.427 -2.751 1.00 0.41 H new ATOM 0 HB1 ALA A 49 9.072 0.424 -0.592 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.729 2.070 -0.753 1.00 0.42 H new ATOM 0 HB3 ALA A 49 8.294 1.780 0.259 1.00 0.42 H new ATOM 760 N LEU A 50 5.644 1.484 -1.117 1.00 0.38 N ATOM 761 CA LEU A 50 4.352 0.843 -0.931 1.00 0.40 C ATOM 762 C LEU A 50 3.655 0.672 -2.274 1.00 0.41 C ATOM 763 O LEU A 50 2.901 -0.278 -2.486 1.00 0.43 O ATOM 764 CB LEU A 50 3.497 1.702 -0.001 1.00 0.45 C ATOM 765 CG LEU A 50 2.198 1.072 0.480 1.00 0.69 C ATOM 766 CD1 LEU A 50 2.487 -0.115 1.386 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.367 2.116 1.204 1.00 1.20 C ATOM 0 H LEU A 50 5.701 2.423 -0.724 1.00 0.38 H new ATOM 0 HA LEU A 50 4.495 -0.142 -0.487 1.00 0.40 H new ATOM 0 HB2 LEU A 50 4.095 1.965 0.871 1.00 0.45 H new ATOM 0 HB3 LEU A 50 3.258 2.633 -0.516 1.00 0.45 H new ATOM 0 HG LEU A 50 1.635 0.707 -0.379 1.00 0.69 H new ATOM 0 HD11 LEU A 50 1.547 -0.554 1.721 1.00 1.33 H new ATOM 0 HD12 LEU A 50 3.060 -0.861 0.836 1.00 1.33 H new ATOM 0 HD13 LEU A 50 3.061 0.219 2.251 1.00 1.33 H new ATOM 0 HD21 LEU A 50 0.436 1.665 1.549 1.00 1.20 H new ATOM 0 HD22 LEU A 50 1.925 2.496 2.060 1.00 1.20 H new ATOM 0 HD23 LEU A 50 1.142 2.938 0.524 1.00 1.20 H new ATOM 779 N ARG A 51 3.921 1.611 -3.174 1.00 0.44 N ATOM 780 CA ARG A 51 3.345 1.593 -4.509 1.00 0.50 C ATOM 781 C ARG A 51 3.940 0.457 -5.333 1.00 0.52 C ATOM 782 O ARG A 51 3.234 -0.219 -6.082 1.00 0.59 O ATOM 783 CB ARG A 51 3.602 2.936 -5.195 1.00 0.53 C ATOM 784 CG ARG A 51 3.328 2.933 -6.688 1.00 0.52 C ATOM 785 CD ARG A 51 3.660 4.277 -7.309 1.00 0.73 C ATOM 786 NE ARG A 51 2.842 5.350 -6.754 1.00 1.21 N ATOM 787 CZ ARG A 51 2.982 6.629 -7.082 1.00 1.63 C ATOM 788 NH1 ARG A 51 3.914 6.996 -7.950 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.190 7.543 -6.540 1.00 2.17 N ATOM 0 H ARG A 51 4.540 2.403 -2.998 1.00 0.44 H new ATOM 0 HA ARG A 51 2.270 1.430 -4.429 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.980 3.697 -4.724 1.00 0.53 H new ATOM 0 HB3 ARG A 51 4.640 3.224 -5.028 1.00 0.53 H new ATOM 0 HG2 ARG A 51 3.918 2.152 -7.167 1.00 0.52 H new ATOM 0 HG3 ARG A 51 2.279 2.695 -6.868 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.714 4.502 -7.145 1.00 0.73 H new ATOM 0 HD3 ARG A 51 3.509 4.226 -8.387 1.00 0.73 H new ATOM 0 HE ARG A 51 2.122 5.104 -6.075 1.00 1.21 H new ATOM 0 HH11 ARG A 51 4.526 6.295 -8.368 1.00 1.96 H new ATOM 0 HH12 ARG A 51 4.019 7.979 -8.200 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.473 7.264 -5.871 1.00 2.17 H new ATOM 0 HH22 ARG A 51 2.298 8.525 -6.792 1.00 2.17 H new ATOM 803 N GLU A 52 5.246 0.256 -5.188 1.00 0.49 N ATOM 804 CA GLU A 52 5.943 -0.798 -5.913 1.00 0.54 C ATOM 805 C GLU A 52 5.519 -2.171 -5.407 1.00 0.53 C ATOM 806 O GLU A 52 5.239 -3.075 -6.194 1.00 0.58 O ATOM 807 CB GLU A 52 7.456 -0.635 -5.765 1.00 0.59 C ATOM 808 CG GLU A 52 8.153 -0.232 -7.054 1.00 0.63 C ATOM 809 CD GLU A 52 7.918 1.220 -7.421 1.00 0.87 C ATOM 810 OE1 GLU A 52 6.752 1.592 -7.666 1.00 1.07 O ATOM 811 OE2 GLU A 52 8.904 1.983 -7.470 1.00 1.10 O ATOM 0 H GLU A 52 5.843 0.810 -4.574 1.00 0.49 H new ATOM 0 HA GLU A 52 5.678 -0.717 -6.967 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.659 0.116 -5.002 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.881 -1.574 -5.410 1.00 0.59 H new ATOM 0 HG2 GLU A 52 9.224 -0.407 -6.952 1.00 0.63 H new ATOM 0 HG3 GLU A 52 7.801 -0.869 -7.866 1.00 0.63 H new ATOM 818 N ALA A 53 5.477 -2.319 -4.086 1.00 0.49 N ATOM 819 CA ALA A 53 5.085 -3.580 -3.469 1.00 0.48 C ATOM 820 C ALA A 53 3.646 -3.933 -3.820 1.00 0.49 C ATOM 821 O ALA A 53 3.312 -5.102 -4.015 1.00 0.53 O ATOM 822 CB ALA A 53 5.257 -3.504 -1.959 1.00 0.45 C ATOM 0 H ALA A 53 5.710 -1.580 -3.423 1.00 0.49 H new ATOM 0 HA ALA A 53 5.732 -4.366 -3.858 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.961 -4.452 -1.511 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.301 -3.301 -1.722 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.632 -2.704 -1.561 1.00 0.45 H new ATOM 828 N GLY A 54 2.798 -2.913 -3.899 1.00 0.49 N ATOM 829 CA GLY A 54 1.403 -3.131 -4.226 1.00 0.53 C ATOM 830 C GLY A 54 1.203 -3.509 -5.680 1.00 0.60 C ATOM 831 O GLY A 54 0.361 -4.347 -5.997 1.00 0.70 O ATOM 0 H GLY A 54 3.053 -1.938 -3.742 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.002 -3.920 -3.590 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.836 -2.226 -4.007 1.00 0.53 H new ATOM 835 N ASP A 55 1.984 -2.892 -6.561 1.00 0.61 N ATOM 836 CA ASP A 55 1.893 -3.159 -7.994 1.00 0.69 C ATOM 837 C ASP A 55 2.062 -4.646 -8.295 1.00 0.70 C ATOM 838 O ASP A 55 1.323 -5.212 -9.101 1.00 0.79 O ATOM 839 CB ASP A 55 2.953 -2.354 -8.748 1.00 0.73 C ATOM 840 CG ASP A 55 2.960 -2.656 -10.234 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.174 -2.026 -10.972 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.750 -3.525 -10.660 1.00 0.82 O ATOM 0 H ASP A 55 2.690 -2.201 -6.307 1.00 0.61 H new ATOM 0 HA ASP A 55 0.901 -2.855 -8.328 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.772 -1.290 -8.597 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.936 -2.573 -8.331 1.00 0.73 H new ATOM 847 N GLU A 56 3.036 -5.272 -7.644 1.00 0.66 N ATOM 848 CA GLU A 56 3.304 -6.691 -7.851 1.00 0.74 C ATOM 849 C GLU A 56 2.227 -7.561 -7.215 1.00 0.77 C ATOM 850 O GLU A 56 2.108 -8.745 -7.533 1.00 0.88 O ATOM 851 CB GLU A 56 4.670 -7.062 -7.277 1.00 0.79 C ATOM 852 CG GLU A 56 5.831 -6.408 -8.002 1.00 1.24 C ATOM 853 CD GLU A 56 7.173 -6.824 -7.439 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.677 -7.895 -7.835 1.00 1.43 O ATOM 855 OE2 GLU A 56 7.719 -6.081 -6.598 1.00 2.29 O ATOM 0 H GLU A 56 3.653 -4.820 -6.969 1.00 0.66 H new ATOM 0 HA GLU A 56 3.300 -6.873 -8.926 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.702 -6.777 -6.225 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.790 -8.145 -7.318 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.788 -6.668 -9.060 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.733 -5.324 -7.936 1.00 1.24 H new ATOM 862 N PHE A 57 1.445 -6.976 -6.317 1.00 0.71 N ATOM 863 CA PHE A 57 0.385 -7.715 -5.644 1.00 0.75 C ATOM 864 C PHE A 57 -0.928 -7.623 -6.414 1.00 0.78 C ATOM 865 O PHE A 57 -1.731 -8.553 -6.395 1.00 0.91 O ATOM 866 CB PHE A 57 0.191 -7.197 -4.219 1.00 0.76 C ATOM 867 CG PHE A 57 -0.815 -7.988 -3.436 1.00 1.09 C ATOM 868 CD1 PHE A 57 -0.515 -9.263 -2.988 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.061 -7.460 -3.154 1.00 1.71 C ATOM 870 CE1 PHE A 57 -1.441 -9.995 -2.271 1.00 1.79 C ATOM 871 CE2 PHE A 57 -2.992 -8.188 -2.439 1.00 2.29 C ATOM 872 CZ PHE A 57 -2.681 -9.458 -1.997 1.00 2.20 C ATOM 0 H PHE A 57 1.524 -5.998 -6.039 1.00 0.71 H new ATOM 0 HA PHE A 57 0.686 -8.762 -5.604 1.00 0.75 H new ATOM 0 HB2 PHE A 57 1.148 -7.220 -3.697 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.126 -6.155 -4.258 1.00 0.76 H new ATOM 0 HD1 PHE A 57 0.454 -9.690 -3.202 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.310 -6.466 -3.497 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -1.194 -10.988 -1.925 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -3.962 -7.764 -2.226 1.00 2.29 H new ATOM 0 HZ PHE A 57 -3.407 -10.030 -1.438 1.00 2.20 H new ATOM 882 N GLU A 58 -1.137 -6.501 -7.095 1.00 0.73 N ATOM 883 CA GLU A 58 -2.360 -6.287 -7.864 1.00 0.82 C ATOM 884 C GLU A 58 -2.484 -7.287 -9.009 1.00 0.82 C ATOM 885 O GLU A 58 -3.436 -8.063 -9.066 1.00 0.89 O ATOM 886 CB GLU A 58 -2.393 -4.865 -8.422 1.00 0.86 C ATOM 887 CG GLU A 58 -2.443 -3.789 -7.354 1.00 0.91 C ATOM 888 CD GLU A 58 -2.451 -2.395 -7.945 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.431 -2.054 -8.638 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.477 -1.647 -7.717 1.00 1.24 O ATOM 0 H GLU A 58 -0.476 -5.725 -7.131 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.202 -6.434 -7.188 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.511 -4.708 -9.042 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.262 -4.760 -9.072 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.335 -3.928 -6.743 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.583 -3.896 -6.692 1.00 0.91 H new ATOM 897 N LEU A 59 -1.515 -7.256 -9.919 1.00 0.81 N ATOM 898 CA LEU A 59 -1.511 -8.147 -11.078 1.00 0.87 C ATOM 899 C LEU A 59 -1.611 -9.613 -10.665 1.00 0.85 C ATOM 900 O LEU A 59 -1.994 -10.467 -11.465 1.00 0.96 O ATOM 901 CB LEU A 59 -0.239 -7.924 -11.903 1.00 0.96 C ATOM 902 CG LEU A 59 1.076 -7.987 -11.114 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.527 -9.427 -10.922 1.00 1.54 C ATOM 904 CD2 LEU A 59 2.157 -7.183 -11.816 1.00 1.46 C ATOM 0 H LEU A 59 -0.718 -6.621 -9.877 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.387 -7.911 -11.682 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.204 -8.672 -12.695 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.306 -6.950 -12.387 1.00 0.96 H new ATOM 0 HG LEU A 59 0.901 -7.551 -10.130 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.461 -9.444 -10.360 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.763 -9.977 -10.373 1.00 1.54 H new ATOM 0 HD13 LEU A 59 1.681 -9.893 -11.895 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.082 -7.239 -11.243 1.00 1.46 H new ATOM 0 HD22 LEU A 59 2.323 -7.590 -12.813 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.842 -6.143 -11.896 1.00 1.46 H new ATOM 916 N ARG A 60 -1.268 -9.896 -9.415 1.00 0.83 N ATOM 917 CA ARG A 60 -1.294 -11.259 -8.902 1.00 0.90 C ATOM 918 C ARG A 60 -2.714 -11.819 -8.822 1.00 0.98 C ATOM 919 O ARG A 60 -2.937 -12.995 -9.109 1.00 1.15 O ATOM 920 CB ARG A 60 -0.631 -11.308 -7.525 1.00 1.03 C ATOM 921 CG ARG A 60 -0.369 -12.717 -7.026 1.00 1.00 C ATOM 922 CD ARG A 60 0.811 -12.754 -6.070 1.00 1.07 C ATOM 923 NE ARG A 60 2.069 -12.452 -6.748 1.00 1.41 N ATOM 924 CZ ARG A 60 3.166 -12.042 -6.121 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.157 -11.871 -4.807 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.273 -11.799 -6.809 1.00 2.58 N ATOM 0 H ARG A 60 -0.968 -9.197 -8.736 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.738 -11.884 -9.601 1.00 0.90 H new ATOM 0 HB2 ARG A 60 0.313 -10.765 -7.566 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.266 -10.789 -6.807 1.00 1.03 H new ATOM 0 HG2 ARG A 60 -1.258 -13.099 -6.524 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -0.174 -13.375 -7.873 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.650 -12.036 -5.266 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.874 -13.740 -5.609 1.00 1.07 H new ATOM 0 HE ARG A 60 2.107 -12.562 -7.761 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.306 -12.054 -4.275 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.001 -11.556 -4.328 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.283 -11.927 -7.821 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.115 -11.484 -6.326 1.00 2.58 H new ATOM 940 N TYR A 61 -3.671 -10.981 -8.436 1.00 1.04 N ATOM 941 CA TYR A 61 -5.059 -11.423 -8.315 1.00 1.26 C ATOM 942 C TYR A 61 -6.010 -10.483 -9.050 1.00 1.32 C ATOM 943 O TYR A 61 -7.220 -10.529 -8.837 1.00 1.59 O ATOM 944 CB TYR A 61 -5.457 -11.506 -6.841 1.00 1.52 C ATOM 945 CG TYR A 61 -5.645 -10.154 -6.197 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.555 -9.357 -5.887 1.00 2.70 C ATOM 947 CD2 TYR A 61 -6.915 -9.670 -5.913 1.00 2.84 C ATOM 948 CE1 TYR A 61 -4.721 -8.116 -5.309 1.00 3.67 C ATOM 949 CE2 TYR A 61 -7.089 -8.428 -5.337 1.00 3.86 C ATOM 950 CZ TYR A 61 -5.989 -7.656 -5.037 1.00 4.23 C ATOM 951 OH TYR A 61 -6.157 -6.418 -4.464 1.00 5.32 O ATOM 0 H TYR A 61 -3.515 -10.000 -8.203 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.134 -12.410 -8.771 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.383 -12.075 -6.753 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.691 -12.057 -6.295 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.558 -9.714 -6.102 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.779 -10.274 -6.146 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -3.860 -7.508 -5.071 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.083 -8.063 -5.123 1.00 3.86 H new ATOM 0 HH TYR A 61 -7.095 -6.146 -4.541 1.00 5.32 H new ATOM 961 N ARG A 62 -5.458 -9.637 -9.913 1.00 1.28 N ATOM 962 CA ARG A 62 -6.259 -8.682 -10.674 1.00 1.39 C ATOM 963 C ARG A 62 -7.436 -9.362 -11.369 1.00 1.07 C ATOM 964 O ARG A 62 -8.565 -8.875 -11.313 1.00 1.30 O ATOM 965 CB ARG A 62 -5.390 -7.970 -11.713 1.00 1.72 C ATOM 966 CG ARG A 62 -6.188 -7.323 -12.836 1.00 2.15 C ATOM 967 CD ARG A 62 -5.283 -6.620 -13.829 1.00 2.51 C ATOM 968 NE ARG A 62 -4.688 -5.417 -13.263 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.561 -4.875 -13.708 1.00 3.59 C ATOM 970 NH1 ARG A 62 -2.905 -5.434 -14.715 1.00 3.59 N ATOM 971 NH2 ARG A 62 -3.088 -3.774 -13.145 1.00 4.48 N ATOM 0 H ARG A 62 -4.457 -9.592 -10.104 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.656 -7.952 -9.968 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.795 -7.205 -11.214 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.691 -8.687 -12.142 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.774 -8.084 -13.352 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.894 -6.607 -12.416 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.493 -7.301 -14.146 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -5.855 -6.358 -14.719 1.00 2.51 H new ATOM 0 HE ARG A 62 -5.164 -4.966 -12.481 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.266 -6.283 -15.150 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -2.039 -5.015 -15.055 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -3.590 -3.342 -12.369 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -2.222 -3.358 -13.487 1.00 4.48 H new ATOM 985 N ARG A 63 -7.160 -10.480 -12.028 1.00 0.98 N ATOM 986 CA ARG A 63 -8.191 -11.219 -12.750 1.00 1.19 C ATOM 987 C ARG A 63 -9.377 -11.552 -11.851 1.00 1.20 C ATOM 988 O ARG A 63 -10.516 -11.612 -12.313 1.00 1.45 O ATOM 989 CB ARG A 63 -7.604 -12.501 -13.336 1.00 1.61 C ATOM 990 CG ARG A 63 -7.083 -13.469 -12.290 1.00 2.18 C ATOM 991 CD ARG A 63 -5.691 -13.962 -12.642 1.00 2.52 C ATOM 992 NE ARG A 63 -5.545 -14.191 -14.075 1.00 3.12 N ATOM 993 CZ ARG A 63 -5.212 -15.360 -14.605 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.995 -16.410 -13.826 1.00 4.07 N ATOM 995 NH2 ARG A 63 -5.096 -15.480 -15.919 1.00 4.72 N ATOM 0 H ARG A 63 -6.230 -10.896 -12.078 1.00 0.98 H new ATOM 0 HA ARG A 63 -8.552 -10.583 -13.558 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -8.368 -13.001 -13.931 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.791 -12.241 -14.014 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -7.063 -12.980 -11.316 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -7.762 -14.318 -12.206 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -4.952 -13.231 -12.313 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -5.486 -14.887 -12.103 1.00 2.52 H new ATOM 0 HE ARG A 63 -5.709 -13.406 -14.706 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.084 -16.321 -12.814 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.739 -17.307 -14.239 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -5.263 -14.674 -16.521 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -4.840 -16.378 -16.328 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.107 -11.769 -10.570 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.160 -12.093 -9.617 1.00 1.09 C ATOM 1011 C ALA A 64 -10.715 -10.833 -8.964 1.00 1.08 C ATOM 1012 O ALA A 64 -11.867 -10.796 -8.544 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.635 -13.049 -8.557 1.00 1.17 C ATOM 0 H ALA A 64 -8.170 -11.727 -10.168 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.971 -12.578 -10.160 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.432 -13.283 -7.851 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.291 -13.967 -9.033 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.805 -12.583 -8.026 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.886 -9.799 -8.900 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.273 -8.532 -8.290 1.00 1.22 C ATOM 1021 C PHE A 65 -11.505 -7.930 -8.972 1.00 1.19 C ATOM 1022 O PHE A 65 -12.380 -7.375 -8.306 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.080 -7.563 -8.331 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.427 -6.147 -8.695 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.075 -5.321 -7.792 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -9.098 -5.645 -9.942 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.389 -4.019 -8.129 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -9.409 -4.344 -10.284 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.055 -3.530 -9.376 1.00 2.81 C ATOM 0 H PHE A 65 -8.934 -9.813 -9.266 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.549 -8.712 -7.251 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.597 -7.564 -7.354 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -8.350 -7.939 -9.048 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.337 -5.699 -6.815 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -8.592 -6.278 -10.656 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -10.896 -3.384 -7.417 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -9.147 -3.964 -11.260 1.00 2.59 H new ATOM 0 HZ PHE A 65 -10.299 -2.512 -9.641 1.00 2.81 H new ATOM 1039 N SER A 66 -11.572 -8.043 -10.294 1.00 1.20 N ATOM 1040 CA SER A 66 -12.701 -7.503 -11.048 1.00 1.24 C ATOM 1041 C SER A 66 -13.930 -8.395 -10.913 1.00 1.13 C ATOM 1042 O SER A 66 -15.064 -7.931 -11.045 1.00 1.16 O ATOM 1043 CB SER A 66 -12.334 -7.355 -12.525 1.00 1.45 C ATOM 1044 OG SER A 66 -11.266 -6.442 -12.698 1.00 2.19 O ATOM 0 H SER A 66 -10.862 -8.501 -10.865 1.00 1.20 H new ATOM 0 HA SER A 66 -12.937 -6.522 -10.635 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.055 -8.327 -12.932 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.203 -7.012 -13.086 1.00 1.45 H new ATOM 0 HG SER A 66 -10.935 -6.156 -11.821 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.698 -9.674 -10.646 1.00 1.09 N ATOM 1051 CA ASP A 67 -14.783 -10.638 -10.503 1.00 1.08 C ATOM 1052 C ASP A 67 -15.194 -10.788 -9.040 1.00 0.97 C ATOM 1053 O ASP A 67 -16.235 -11.371 -8.734 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.350 -11.993 -11.064 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.526 -12.883 -11.407 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.141 -13.441 -10.476 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -15.831 -13.023 -12.609 1.00 2.72 O ATOM 0 H ASP A 67 -12.766 -10.069 -10.524 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.643 -10.271 -11.063 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.745 -11.836 -11.957 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.717 -12.499 -10.335 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.374 -10.252 -8.143 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.642 -10.333 -6.712 1.00 0.85 C ATOM 1064 C LEU A 68 -15.648 -9.272 -6.280 1.00 0.76 C ATOM 1065 O LEU A 68 -16.125 -9.284 -5.145 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.340 -10.179 -5.920 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.838 -11.452 -5.229 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.589 -12.560 -6.241 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.570 -11.161 -4.443 1.00 1.56 C ATOM 0 H LEU A 68 -13.516 -9.755 -8.382 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.072 -11.313 -6.504 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.563 -9.822 -6.596 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.483 -9.407 -5.164 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.611 -11.790 -4.539 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.234 -13.452 -5.724 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.517 -12.790 -6.765 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.838 -12.234 -6.960 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -11.225 -12.074 -3.958 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.798 -10.796 -5.120 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.777 -10.404 -3.687 1.00 1.56 H new ATOM 1081 N THR A 69 -15.965 -8.355 -7.190 1.00 0.70 N ATOM 1082 CA THR A 69 -16.919 -7.291 -6.900 1.00 0.62 C ATOM 1083 C THR A 69 -18.280 -7.868 -6.530 1.00 0.63 C ATOM 1084 O THR A 69 -19.023 -7.281 -5.743 1.00 0.60 O ATOM 1085 CB THR A 69 -17.085 -6.342 -8.101 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.452 -7.086 -9.268 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.800 -5.574 -8.367 1.00 0.63 C ATOM 0 H THR A 69 -15.576 -8.328 -8.132 1.00 0.70 H new ATOM 0 HA THR A 69 -16.522 -6.727 -6.056 1.00 0.62 H new ATOM 0 HB THR A 69 -17.874 -5.628 -7.863 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.646 -7.314 -9.777 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.943 -4.910 -9.220 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.540 -4.984 -7.488 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.995 -6.276 -8.584 1.00 0.63 H new ATOM 1095 N SER A 70 -18.598 -9.024 -7.105 1.00 0.72 N ATOM 1096 CA SER A 70 -19.866 -9.690 -6.839 1.00 0.80 C ATOM 1097 C SER A 70 -19.836 -10.387 -5.482 1.00 0.76 C ATOM 1098 O SER A 70 -20.837 -10.414 -4.765 1.00 0.76 O ATOM 1099 CB SER A 70 -20.172 -10.704 -7.942 1.00 0.96 C ATOM 1100 OG SER A 70 -21.396 -11.374 -7.696 1.00 1.34 O ATOM 0 H SER A 70 -17.992 -9.519 -7.760 1.00 0.72 H new ATOM 0 HA SER A 70 -20.652 -8.935 -6.822 1.00 0.80 H new ATOM 0 HB2 SER A 70 -20.220 -10.195 -8.905 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.363 -11.431 -8.006 1.00 0.96 H new ATOM 0 HG SER A 70 -21.568 -12.015 -8.417 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.681 -10.949 -5.137 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.518 -11.642 -3.865 1.00 0.77 C ATOM 1108 C GLN A 71 -18.424 -10.642 -2.720 1.00 0.67 C ATOM 1109 O GLN A 71 -18.714 -10.968 -1.568 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.264 -12.516 -3.894 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.205 -13.457 -5.085 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.963 -14.328 -5.084 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.873 -13.810 -4.528 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.982 -15.454 -5.580 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.845 -10.938 -5.721 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.390 -12.276 -3.707 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.384 -11.873 -3.906 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.219 -13.102 -2.976 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -18.090 -14.094 -5.084 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -17.233 -12.874 -6.005 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.841 -15.813 -5.997 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.139 -16.028 -5.574 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.018 -9.422 -3.050 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.879 -8.364 -2.060 1.00 0.55 C ATOM 1125 C LEU A 72 -19.153 -7.535 -1.965 1.00 0.47 C ATOM 1126 O LEU A 72 -19.370 -6.832 -0.982 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.703 -7.454 -2.421 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.323 -8.102 -2.314 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.296 -7.302 -3.099 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.905 -8.217 -0.857 1.00 1.35 C ATOM 0 H LEU A 72 -17.778 -9.141 -4.001 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.694 -8.831 -1.093 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.841 -7.096 -3.441 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.728 -6.580 -1.771 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.378 -9.104 -2.740 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.319 -7.778 -3.011 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.589 -7.265 -4.148 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.243 -6.289 -2.701 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.920 -8.680 -0.796 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.867 -7.224 -0.410 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -15.628 -8.830 -0.318 1.00 1.35 H new ATOM 1142 N HIS A 73 -20.000 -7.625 -2.986 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.240 -6.859 -3.007 1.00 0.48 C ATOM 1144 C HIS A 73 -20.942 -5.376 -2.840 1.00 0.43 C ATOM 1145 O HIS A 73 -21.545 -4.705 -2.003 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.185 -7.322 -1.894 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.050 -8.478 -2.277 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.094 -9.654 -1.561 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.924 -8.628 -3.300 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -23.956 -10.478 -2.127 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -24.473 -9.879 -3.182 1.00 2.62 N ATOM 0 H HIS A 73 -19.852 -8.216 -3.804 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.726 -7.025 -3.969 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.594 -7.597 -1.020 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.821 -6.487 -1.600 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -24.147 -7.899 -4.065 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -24.197 -11.473 -1.784 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -25.169 -10.282 -3.809 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.997 -4.877 -3.636 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.607 -3.473 -3.579 1.00 0.41 C ATOM 1162 C ILE A 74 -20.831 -2.564 -3.629 1.00 0.49 C ATOM 1163 O ILE A 74 -21.322 -2.216 -4.703 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.649 -3.110 -4.731 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.472 -4.093 -4.779 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.149 -1.681 -4.574 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.623 -4.102 -3.522 1.00 0.39 C ATOM 0 H ILE A 74 -19.488 -5.427 -4.328 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.089 -3.321 -2.632 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.194 -3.182 -5.672 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.858 -5.098 -4.951 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.839 -3.844 -5.631 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.474 -1.440 -5.395 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.996 -0.995 -4.588 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.618 -1.583 -3.627 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.813 -4.822 -3.635 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.205 -3.109 -3.358 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.240 -4.382 -2.668 1.00 0.39 H new ATOM 1179 N THR A 75 -21.319 -2.198 -2.450 1.00 0.38 N ATOM 1180 CA THR A 75 -22.491 -1.344 -2.324 1.00 0.40 C ATOM 1181 C THR A 75 -22.203 -0.197 -1.345 1.00 0.37 C ATOM 1182 O THR A 75 -21.229 -0.258 -0.599 1.00 0.34 O ATOM 1183 CB THR A 75 -23.711 -2.181 -1.861 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.846 -1.894 -2.685 1.00 0.51 O ATOM 1185 CG2 THR A 75 -24.063 -1.917 -0.403 1.00 0.46 C ATOM 0 H THR A 75 -20.915 -2.484 -1.558 1.00 0.38 H new ATOM 0 HA THR A 75 -22.726 -0.910 -3.296 1.00 0.40 H new ATOM 0 HB THR A 75 -23.438 -3.232 -1.957 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.624 -1.711 -2.118 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.923 -2.524 -0.121 1.00 0.46 H new ATOM 0 HG22 THR A 75 -23.213 -2.176 0.229 1.00 0.46 H new ATOM 0 HG23 THR A 75 -24.305 -0.862 -0.272 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.032 0.867 -1.328 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.817 2.013 -0.433 1.00 0.37 C ATOM 1195 C PRO A 76 -22.723 1.628 1.042 1.00 0.35 C ATOM 1196 O PRO A 76 -23.431 0.740 1.512 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.048 2.900 -0.665 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.038 2.034 -1.366 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.231 1.053 -2.162 1.00 0.44 C ATOM 0 HA PRO A 76 -21.867 2.499 -0.653 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.449 3.269 0.279 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -23.795 3.773 -1.267 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.684 1.522 -0.653 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.685 2.625 -2.014 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.768 0.116 -2.314 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -23.981 1.441 -3.149 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.830 2.312 1.757 1.00 0.36 N ATOM 1208 CA GLY A 77 -21.652 2.087 3.184 1.00 0.37 C ATOM 1209 C GLY A 77 -21.151 0.700 3.554 1.00 0.38 C ATOM 1210 O GLY A 77 -19.973 0.525 3.868 1.00 0.40 O ATOM 0 H GLY A 77 -21.218 3.028 1.366 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.950 2.826 3.569 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -22.604 2.260 3.686 1.00 0.37 H new ATOM 1214 N THR A 78 -22.051 -0.280 3.527 1.00 0.40 N ATOM 1215 CA THR A 78 -21.721 -1.655 3.902 1.00 0.42 C ATOM 1216 C THR A 78 -20.543 -2.239 3.119 1.00 0.38 C ATOM 1217 O THR A 78 -20.116 -3.360 3.399 1.00 0.40 O ATOM 1218 CB THR A 78 -22.938 -2.583 3.751 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.438 -2.521 2.413 1.00 0.50 O ATOM 1220 CG2 THR A 78 -24.037 -2.191 4.727 1.00 0.56 C ATOM 0 H THR A 78 -23.023 -0.147 3.247 1.00 0.40 H new ATOM 0 HA THR A 78 -21.422 -1.600 4.949 1.00 0.42 H new ATOM 0 HB THR A 78 -22.622 -3.602 3.972 1.00 0.49 H new ATOM 0 HG1 THR A 78 -23.265 -3.372 1.959 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.889 -2.860 4.604 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.661 -2.266 5.747 1.00 0.56 H new ATOM 0 HG23 THR A 78 -24.350 -1.166 4.530 1.00 0.56 H new ATOM 1228 N ALA A 79 -20.020 -1.502 2.140 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.873 -1.984 1.375 1.00 0.31 C ATOM 1230 C ALA A 79 -17.702 -2.212 2.318 1.00 0.30 C ATOM 1231 O ALA A 79 -16.802 -3.006 2.045 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.488 -0.996 0.286 1.00 0.32 C ATOM 0 H ALA A 79 -20.366 -0.584 1.862 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.142 -2.923 0.891 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.631 -1.380 -0.268 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.328 -0.859 -0.395 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.228 -0.039 0.738 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.737 -1.494 3.434 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.711 -1.593 4.458 1.00 0.36 C ATOM 1240 C TYR A 80 -16.791 -2.951 5.151 1.00 0.36 C ATOM 1241 O TYR A 80 -15.775 -3.505 5.573 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.886 -0.442 5.455 1.00 0.44 C ATOM 1243 CG TYR A 80 -16.319 -0.705 6.827 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -14.949 -0.753 7.041 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -17.161 -0.897 7.912 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -14.435 -0.987 8.301 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -16.656 -1.128 9.173 1.00 3.13 C ATOM 1248 CZ TYR A 80 -15.293 -1.173 9.363 1.00 3.12 C ATOM 1249 OH TYR A 80 -14.787 -1.403 10.619 1.00 4.13 O ATOM 0 H TYR A 80 -18.478 -0.828 3.652 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.723 -1.513 4.005 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.412 0.450 5.046 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.949 -0.222 5.552 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -14.275 -0.605 6.210 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -18.231 -0.865 7.766 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -13.366 -1.024 8.453 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -17.326 -1.273 10.008 1.00 3.13 H new ATOM 0 HH TYR A 80 -15.525 -1.512 11.254 1.00 4.13 H new ATOM 1259 N GLN A 81 -18.008 -3.480 5.266 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.218 -4.786 5.879 1.00 0.41 C ATOM 1261 C GLN A 81 -17.723 -5.877 4.940 1.00 0.41 C ATOM 1262 O GLN A 81 -17.370 -6.975 5.367 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.696 -5.002 6.205 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.176 -4.210 7.410 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.644 -4.438 7.707 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.499 -3.597 7.140 1.00 1.03 O flip ATOM 1267 NE2 GLN A 81 -22.006 -5.359 8.440 1.00 0.79 N flip ATOM 0 H GLN A 81 -18.861 -3.024 4.943 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.655 -4.829 6.811 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.295 -4.726 5.337 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.868 -6.063 6.386 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.585 -4.488 8.282 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -20.005 -3.148 7.234 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.314 -5.982 8.855 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.998 -5.498 8.632 1.00 0.79 H new ATOM 1276 N SER A 82 -17.714 -5.559 3.650 1.00 0.39 N ATOM 1277 CA SER A 82 -17.239 -6.485 2.635 1.00 0.41 C ATOM 1278 C SER A 82 -15.722 -6.526 2.678 1.00 0.41 C ATOM 1279 O SER A 82 -15.104 -7.583 2.549 1.00 0.48 O ATOM 1280 CB SER A 82 -17.714 -6.040 1.255 1.00 0.41 C ATOM 1281 OG SER A 82 -19.084 -5.682 1.282 1.00 0.43 O ATOM 0 H SER A 82 -18.032 -4.662 3.284 1.00 0.39 H new ATOM 0 HA SER A 82 -17.638 -7.480 2.831 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.119 -5.191 0.918 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.558 -6.844 0.536 1.00 0.41 H new ATOM 0 HG SER A 82 -19.468 -5.789 0.387 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.135 -5.348 2.861 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.694 -5.209 2.959 1.00 0.37 C ATOM 1289 C PHE A 83 -13.238 -5.708 4.325 1.00 0.38 C ATOM 1290 O PHE A 83 -12.054 -5.948 4.555 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.299 -3.742 2.757 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.835 -3.465 2.940 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.917 -3.849 1.976 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.378 -2.814 4.074 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.570 -3.589 2.141 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.033 -2.552 4.244 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.128 -2.939 3.276 1.00 1.18 C ATOM 0 H PHE A 83 -15.646 -4.469 2.945 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.209 -5.803 2.184 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.592 -3.434 1.753 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.864 -3.126 3.457 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.258 -4.357 1.086 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.082 -2.508 4.834 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.864 -3.894 1.383 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.689 -2.045 5.133 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.076 -2.734 3.406 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.207 -5.865 5.226 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.939 -6.345 6.574 1.00 0.48 C ATOM 1309 C GLU A 84 -13.493 -7.801 6.540 1.00 0.52 C ATOM 1310 O GLU A 84 -12.563 -8.192 7.244 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.189 -6.202 7.445 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.985 -6.639 8.886 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.262 -6.573 9.700 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.045 -7.545 9.656 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.480 -5.548 10.380 1.00 0.80 O ATOM 0 H GLU A 84 -15.190 -5.664 5.041 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.138 -5.743 7.003 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.512 -5.161 7.433 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.995 -6.791 7.007 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.600 -7.659 8.902 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.229 -6.006 9.350 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.165 -8.598 5.715 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.840 -10.013 5.579 1.00 0.65 C ATOM 1324 C GLN A 85 -12.407 -10.190 5.093 1.00 0.64 C ATOM 1325 O GLN A 85 -11.777 -11.217 5.343 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.799 -10.686 4.596 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.264 -10.406 4.881 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.181 -10.982 3.820 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.795 -11.122 2.659 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.405 -11.314 4.212 1.00 1.62 N ATOM 0 H GLN A 85 -14.940 -8.287 5.129 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.942 -10.480 6.559 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.564 -10.350 3.586 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.633 -11.763 4.620 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.529 -10.825 5.852 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.419 -9.329 4.945 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.683 -11.181 5.184 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -19.068 -11.702 3.541 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.903 -9.178 4.397 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.550 -9.211 3.859 1.00 0.62 C ATOM 1341 C VAL A 86 -9.534 -8.705 4.877 1.00 0.55 C ATOM 1342 O VAL A 86 -8.520 -9.353 5.128 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.447 -8.364 2.578 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.064 -8.489 1.958 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.524 -8.774 1.587 1.00 1.30 C ATOM 0 H VAL A 86 -12.415 -8.320 4.192 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.325 -10.251 3.624 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.602 -7.318 2.842 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.014 -7.882 1.054 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.314 -8.143 2.669 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -8.871 -9.532 1.706 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.439 -8.167 0.686 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.400 -9.826 1.329 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.506 -8.624 2.035 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.807 -7.543 5.457 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.907 -6.957 6.441 1.00 0.51 C ATOM 1357 C VAL A 87 -8.799 -7.840 7.682 1.00 0.56 C ATOM 1358 O VAL A 87 -7.787 -7.819 8.381 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.361 -5.544 6.854 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.659 -5.600 7.644 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.271 -4.851 7.653 1.00 0.85 C ATOM 0 H VAL A 87 -10.642 -6.990 5.264 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.927 -6.883 5.969 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.546 -4.965 5.949 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.958 -4.590 7.924 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.439 -6.053 7.031 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.512 -6.197 8.544 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.607 -3.854 7.938 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.053 -5.430 8.550 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.370 -4.771 7.045 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.848 -8.616 7.948 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.864 -9.511 9.101 1.00 0.71 C ATOM 1373 C ASN A 88 -8.841 -10.624 8.927 1.00 0.78 C ATOM 1374 O ASN A 88 -8.172 -11.024 9.879 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.257 -10.112 9.297 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.007 -9.472 10.448 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.947 -9.947 11.582 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.718 -8.388 10.164 1.00 0.73 N ATOM 0 H ASN A 88 -10.696 -8.642 7.381 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.605 -8.929 9.985 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.834 -9.992 8.380 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.165 -11.183 9.478 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.243 -7.915 10.900 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.740 -8.028 9.210 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.729 -11.121 7.703 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.783 -12.183 7.393 1.00 0.84 C ATOM 1387 C GLU A 89 -6.444 -11.599 6.977 1.00 0.82 C ATOM 1388 O GLU A 89 -5.477 -12.327 6.749 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.335 -13.079 6.283 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.970 -12.312 5.134 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.995 -11.973 4.023 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.937 -11.380 4.314 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -8.293 -12.301 2.858 1.00 2.87 O ATOM 0 H GLU A 89 -9.283 -10.805 6.907 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.636 -12.785 8.290 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.527 -13.697 5.892 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.076 -13.755 6.709 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.788 -12.902 4.721 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.405 -11.390 5.519 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.396 -10.277 6.885 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.185 -9.581 6.483 1.00 0.64 C ATOM 1402 C LEU A 90 -4.361 -9.158 7.695 1.00 0.70 C ATOM 1403 O LEU A 90 -3.392 -8.412 7.560 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.542 -8.354 5.642 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.685 -8.144 4.392 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.864 -9.294 3.414 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.043 -6.827 3.726 1.00 1.28 C ATOM 0 H LEU A 90 -7.187 -9.664 7.085 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.583 -10.267 5.887 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.585 -8.434 5.337 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.461 -7.467 6.271 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.639 -8.114 4.695 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -4.245 -9.122 2.533 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -4.565 -10.227 3.891 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.910 -9.358 3.115 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.426 -6.689 2.838 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.095 -6.838 3.440 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -4.865 -6.007 4.422 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.742 -9.631 8.880 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.012 -9.278 10.092 1.00 0.82 C ATOM 1421 C PHE A 91 -3.963 -10.437 11.087 1.00 0.91 C ATOM 1422 O PHE A 91 -3.019 -10.546 11.869 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.629 -8.034 10.750 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.700 -8.333 11.763 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -6.993 -8.622 11.363 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.408 -8.322 13.118 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -7.977 -8.894 12.295 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.387 -8.594 14.054 1.00 1.75 C ATOM 1429 CZ PHE A 91 -7.673 -8.881 13.642 1.00 2.23 C ATOM 0 H PHE A 91 -5.540 -10.250 9.025 1.00 0.73 H new ATOM 0 HA PHE A 91 -2.986 -9.053 9.800 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -3.837 -7.464 11.235 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.050 -7.397 9.972 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.236 -8.635 10.311 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -4.404 -8.098 13.446 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -8.983 -9.116 11.970 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -6.147 -8.582 15.107 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.440 -9.095 14.372 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.974 -11.300 11.058 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.022 -12.433 11.976 1.00 1.11 C ATOM 1441 C ARG A 92 -4.087 -13.549 11.516 1.00 0.83 C ATOM 1442 O ARG A 92 -3.657 -14.380 12.317 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.467 -12.940 12.129 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.720 -14.351 11.611 1.00 1.62 C ATOM 1445 CD ARG A 92 -6.817 -14.382 10.097 1.00 2.21 C ATOM 1446 NE ARG A 92 -7.610 -15.513 9.629 1.00 3.27 N ATOM 1447 CZ ARG A 92 -8.842 -15.397 9.143 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -9.416 -14.206 9.055 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -9.502 -16.475 8.748 1.00 5.06 N ATOM 0 H ARG A 92 -5.764 -11.238 10.416 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.676 -12.099 12.954 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.737 -12.904 13.184 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.133 -12.254 11.606 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -5.915 -15.009 11.938 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.643 -14.738 12.043 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -7.264 -13.453 9.742 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -5.816 -14.438 9.670 1.00 2.21 H new ATOM 0 HE ARG A 92 -7.197 -16.444 9.677 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -8.912 -13.373 9.361 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -10.361 -14.122 8.681 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -9.065 -17.394 8.817 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -10.447 -16.386 8.375 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.775 -13.560 10.226 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.891 -14.573 9.666 1.00 1.10 C ATOM 1465 C ASP A 93 -1.437 -14.122 9.749 1.00 1.31 C ATOM 1466 O ASP A 93 -0.532 -14.817 9.289 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.272 -14.863 8.214 1.00 1.65 C ATOM 1468 CG ASP A 93 -2.556 -16.079 7.662 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.001 -17.210 7.948 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -1.550 -15.900 6.945 1.00 3.12 O ATOM 0 H ASP A 93 -4.121 -12.880 9.549 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.002 -15.487 10.249 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.349 -15.017 8.147 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.036 -13.995 7.599 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.224 -12.951 10.343 1.00 1.11 N ATOM 1476 CA GLY A 94 0.118 -12.420 10.480 1.00 1.69 C ATOM 1477 C GLY A 94 0.326 -11.160 9.665 1.00 1.62 C ATOM 1478 O GLY A 94 0.368 -11.208 8.436 1.00 2.31 O ATOM 0 H GLY A 94 -1.959 -12.361 10.732 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.316 -12.207 11.530 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.839 -13.175 10.167 1.00 1.69 H new ATOM 1482 N VAL A 95 0.456 -10.030 10.351 1.00 0.85 N ATOM 1483 CA VAL A 95 0.661 -8.751 9.683 1.00 0.67 C ATOM 1484 C VAL A 95 2.114 -8.587 9.250 1.00 0.62 C ATOM 1485 O VAL A 95 2.946 -8.086 10.007 1.00 0.61 O ATOM 1486 CB VAL A 95 0.274 -7.570 10.594 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.393 -6.252 9.845 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.132 -7.753 11.141 1.00 1.06 C ATOM 0 H VAL A 95 0.423 -9.974 11.369 1.00 0.85 H new ATOM 0 HA VAL A 95 0.017 -8.747 8.804 1.00 0.67 H new ATOM 0 HB VAL A 95 0.967 -7.547 11.435 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.115 -5.431 10.506 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.421 -6.116 9.510 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.272 -6.263 8.981 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.386 -6.909 11.782 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.840 -7.807 10.314 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.180 -8.675 11.720 1.00 1.06 H new ATOM 1498 N ASN A 96 2.413 -9.027 8.034 1.00 0.76 N ATOM 1499 CA ASN A 96 3.763 -8.925 7.492 1.00 0.86 C ATOM 1500 C ASN A 96 3.943 -7.598 6.764 1.00 0.72 C ATOM 1501 O ASN A 96 3.009 -6.801 6.674 1.00 0.62 O ATOM 1502 CB ASN A 96 4.040 -10.081 6.525 1.00 1.17 C ATOM 1503 CG ASN A 96 4.040 -11.443 7.200 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.210 -11.611 8.224 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.775 -12.342 6.795 1.00 1.67 N flip ATOM 0 H ASN A 96 1.738 -9.459 7.403 1.00 0.76 H new ATOM 0 HA ASN A 96 4.468 -8.977 8.321 1.00 0.86 H new ATOM 0 HB2 ASN A 96 3.287 -10.074 5.736 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.006 -9.921 6.045 1.00 1.17 H new ATOM 0 HD21 ASN A 96 5.399 -12.174 6.006 1.00 1.67 H new ATOM 0 HD22 ASN A 96 4.761 -13.256 7.249 1.00 1.67 H new ATOM 1512 N TRP A 97 5.146 -7.362 6.249 1.00 0.77 N ATOM 1513 CA TRP A 97 5.428 -6.134 5.515 1.00 0.72 C ATOM 1514 C TRP A 97 4.524 -6.033 4.296 1.00 0.63 C ATOM 1515 O TRP A 97 3.741 -5.093 4.163 1.00 0.59 O ATOM 1516 CB TRP A 97 6.889 -6.094 5.069 1.00 0.86 C ATOM 1517 CG TRP A 97 7.853 -5.846 6.184 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.199 -4.640 6.721 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.605 -6.832 6.893 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.122 -4.817 7.721 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.387 -6.155 7.846 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.691 -8.223 6.814 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.245 -6.823 8.713 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.543 -8.886 7.675 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.310 -8.186 8.614 1.00 3.34 C ATOM 0 H TRP A 97 5.937 -8.001 6.326 1.00 0.77 H new ATOM 0 HA TRP A 97 5.239 -5.291 6.179 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.139 -7.040 4.589 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.009 -5.314 4.317 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.804 -3.686 6.405 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.542 -4.074 8.280 1.00 0.99 H new ATOM 0 HE3 TRP A 97 8.102 -8.770 6.093 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.838 -6.285 9.438 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.619 -9.962 7.623 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.967 -8.733 9.274 1.00 3.34 H new ATOM 1536 N GLY A 98 4.646 -7.014 3.407 1.00 0.69 N ATOM 1537 CA GLY A 98 3.834 -7.036 2.208 1.00 0.69 C ATOM 1538 C GLY A 98 2.362 -7.195 2.523 1.00 0.62 C ATOM 1539 O GLY A 98 1.505 -6.779 1.747 1.00 0.61 O ATOM 0 H GLY A 98 5.295 -7.795 3.498 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.988 -6.113 1.649 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.158 -7.855 1.566 1.00 0.69 H new ATOM 1543 N ARG A 99 2.068 -7.807 3.664 1.00 0.65 N ATOM 1544 CA ARG A 99 0.690 -8.010 4.088 1.00 0.67 C ATOM 1545 C ARG A 99 -0.044 -6.677 4.143 1.00 0.53 C ATOM 1546 O ARG A 99 -1.231 -6.588 3.824 1.00 0.55 O ATOM 1547 CB ARG A 99 0.659 -8.678 5.464 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.717 -8.695 6.107 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.645 -9.666 5.403 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.299 -11.051 5.694 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.120 -12.071 5.488 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.323 -11.863 4.972 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -1.740 -13.301 5.796 1.00 4.24 N ATOM 0 H ARG A 99 2.767 -8.171 4.312 1.00 0.65 H new ATOM 0 HA ARG A 99 0.192 -8.658 3.366 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.017 -9.703 5.368 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.352 -8.158 6.125 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.626 -8.973 7.157 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -1.146 -7.693 6.078 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.673 -9.475 5.712 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.599 -9.498 4.327 1.00 1.50 H new ATOM 0 HE ARG A 99 -0.374 -11.246 6.077 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.619 -10.917 4.733 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.953 -12.649 4.814 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -0.815 -13.465 6.192 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.373 -14.085 5.637 1.00 4.24 H new ATOM 1567 N ILE A 100 0.681 -5.644 4.548 1.00 0.44 N ATOM 1568 CA ILE A 100 0.123 -4.308 4.658 1.00 0.36 C ATOM 1569 C ILE A 100 -0.124 -3.698 3.281 1.00 0.33 C ATOM 1570 O ILE A 100 -1.115 -3.000 3.077 1.00 0.34 O ATOM 1571 CB ILE A 100 1.056 -3.392 5.470 1.00 0.32 C ATOM 1572 CG1 ILE A 100 1.385 -4.044 6.814 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.416 -2.031 5.681 1.00 0.34 C ATOM 1574 CD1 ILE A 100 2.580 -3.432 7.507 1.00 0.34 C ATOM 0 H ILE A 100 1.665 -5.709 4.807 1.00 0.44 H new ATOM 0 HA ILE A 100 -0.832 -4.394 5.177 1.00 0.36 H new ATOM 0 HB ILE A 100 1.981 -3.249 4.912 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.517 -3.966 7.468 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.571 -5.106 6.657 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.090 -1.397 6.257 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.220 -1.567 4.714 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.522 -2.150 6.223 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.754 -3.944 8.453 1.00 0.34 H new ATOM 0 HD12 ILE A 100 3.460 -3.534 6.872 1.00 0.34 H new ATOM 0 HD13 ILE A 100 2.389 -2.376 7.696 1.00 0.34 H new ATOM 1586 N VAL A 101 0.777 -3.960 2.336 1.00 0.33 N ATOM 1587 CA VAL A 101 0.623 -3.428 0.985 1.00 0.35 C ATOM 1588 C VAL A 101 -0.637 -3.994 0.344 1.00 0.37 C ATOM 1589 O VAL A 101 -1.265 -3.351 -0.495 1.00 0.45 O ATOM 1590 CB VAL A 101 1.850 -3.727 0.090 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.120 -3.745 0.918 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.689 -5.034 -0.675 1.00 1.32 C ATOM 0 H VAL A 101 1.611 -4.530 2.478 1.00 0.33 H new ATOM 0 HA VAL A 101 0.541 -2.345 1.071 1.00 0.35 H new ATOM 0 HB VAL A 101 1.922 -2.926 -0.646 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.972 -3.957 0.272 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.258 -2.774 1.394 1.00 1.35 H new ATOM 0 HG13 VAL A 101 3.044 -4.517 1.684 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.572 -5.206 -1.291 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.573 -5.857 0.031 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.807 -4.976 -1.313 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.995 -5.209 0.750 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.191 -5.864 0.244 1.00 0.39 C ATOM 1604 C ALA A 102 -3.423 -5.130 0.747 1.00 0.35 C ATOM 1605 O ALA A 102 -4.470 -5.113 0.099 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.218 -7.319 0.686 1.00 0.44 C ATOM 0 H ALA A 102 -0.470 -5.759 1.430 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.184 -5.838 -0.846 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.118 -7.799 0.302 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.338 -7.833 0.299 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.217 -7.369 1.775 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.273 -4.519 1.916 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.342 -3.759 2.544 1.00 0.34 C ATOM 1614 C PHE A 103 -4.573 -2.452 1.790 1.00 0.31 C ATOM 1615 O PHE A 103 -5.650 -1.862 1.861 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.973 -3.491 4.007 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.924 -2.594 4.739 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.137 -3.074 5.201 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.595 -1.271 4.979 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.005 -2.249 5.889 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.459 -0.441 5.664 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.666 -0.932 6.120 1.00 1.49 C ATOM 0 H PHE A 103 -2.406 -4.538 2.454 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.269 -4.331 2.512 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -3.916 -4.444 4.533 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.978 -3.048 4.041 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.408 -4.104 5.022 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.651 -0.884 4.626 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.949 -2.635 6.246 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -5.192 0.590 5.843 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.344 -0.286 6.657 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.549 -2.017 1.058 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.623 -0.785 0.278 1.00 0.40 C ATOM 1634 C PHE A 104 -4.114 -1.057 -1.133 1.00 0.39 C ATOM 1635 O PHE A 104 -4.962 -0.339 -1.654 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.255 -0.120 0.197 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.811 0.494 1.481 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -2.316 1.714 1.885 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -0.880 -0.143 2.277 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -1.900 2.288 3.066 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.459 0.427 3.458 1.00 2.61 C ATOM 1642 CZ PHE A 104 -0.970 1.644 3.853 1.00 3.29 C ATOM 0 H PHE A 104 -2.655 -2.503 0.989 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.328 -0.124 0.783 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.519 -0.860 -0.115 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.280 0.650 -0.574 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -3.043 2.223 1.270 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.478 -1.097 1.971 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -2.302 3.242 3.375 1.00 2.90 H new ATOM 0 HE2 PHE A 104 0.270 -0.079 4.073 1.00 2.61 H new ATOM 0 HZ PHE A 104 -0.642 2.093 4.779 1.00 3.29 H new ATOM 1652 N SER A 105 -3.551 -2.083 -1.755 1.00 0.37 N ATOM 1653 CA SER A 105 -3.927 -2.453 -3.109 1.00 0.44 C ATOM 1654 C SER A 105 -5.392 -2.850 -3.169 1.00 0.40 C ATOM 1655 O SER A 105 -6.101 -2.495 -4.109 1.00 0.45 O ATOM 1656 CB SER A 105 -3.051 -3.600 -3.606 1.00 0.50 C ATOM 1657 OG SER A 105 -3.016 -4.652 -2.661 1.00 1.19 O ATOM 0 H SER A 105 -2.830 -2.674 -1.341 1.00 0.37 H new ATOM 0 HA SER A 105 -3.777 -1.588 -3.755 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.435 -3.971 -4.556 1.00 0.50 H new ATOM 0 HB3 SER A 105 -2.040 -3.237 -3.791 1.00 0.50 H new ATOM 0 HG SER A 105 -3.744 -5.281 -2.845 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.842 -3.583 -2.158 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.226 -4.022 -2.101 1.00 0.37 C ATOM 1665 C PHE A 106 -8.123 -2.901 -1.593 1.00 0.31 C ATOM 1666 O PHE A 106 -9.221 -2.694 -2.106 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.368 -5.253 -1.212 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.605 -6.042 -1.511 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.590 -7.029 -2.479 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.784 -5.787 -0.834 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.729 -7.754 -2.766 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -10.928 -6.506 -1.118 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.900 -7.492 -2.085 1.00 2.89 C ATOM 0 H PHE A 106 -5.269 -3.884 -1.370 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.537 -4.288 -3.111 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.494 -5.892 -1.341 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.384 -4.942 -0.167 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.676 -7.235 -3.017 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.810 -5.018 -0.076 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.704 -8.525 -3.522 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.844 -6.298 -0.585 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.793 -8.057 -2.308 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.651 -2.186 -0.573 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.420 -1.082 -0.031 1.00 0.28 C ATOM 1685 C GLY A 107 -8.658 -0.017 -1.079 1.00 0.24 C ATOM 1686 O GLY A 107 -9.763 0.511 -1.205 1.00 0.27 O ATOM 0 H GLY A 107 -6.754 -2.352 -0.116 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.376 -1.449 0.342 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.891 -0.649 0.818 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.607 0.295 -1.830 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.716 1.275 -2.889 1.00 0.22 C ATOM 1692 C GLY A 108 -8.535 0.731 -4.033 1.00 0.22 C ATOM 1693 O GLY A 108 -9.183 1.479 -4.764 1.00 0.23 O ATOM 0 H GLY A 108 -6.680 -0.116 -1.722 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -8.178 2.184 -2.504 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.722 1.548 -3.244 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.495 -0.590 -4.183 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.258 -1.267 -5.216 1.00 0.26 C ATOM 1699 C ALA A 109 -10.735 -1.209 -4.867 1.00 0.27 C ATOM 1700 O ALA A 109 -11.595 -1.180 -5.746 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.798 -2.710 -5.354 1.00 0.29 C ATOM 0 H ALA A 109 -7.938 -1.212 -3.597 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.096 -0.768 -6.171 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.379 -3.204 -6.132 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.742 -2.731 -5.622 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.943 -3.230 -4.407 1.00 0.29 H new ATOM 1707 N LEU A 110 -11.015 -1.194 -3.566 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.382 -1.115 -3.075 1.00 0.28 C ATOM 1709 C LEU A 110 -12.971 0.228 -3.473 1.00 0.24 C ATOM 1710 O LEU A 110 -14.164 0.346 -3.757 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.407 -1.277 -1.549 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.572 -2.100 -0.987 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.908 -1.473 -1.351 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.501 -3.536 -1.485 1.00 1.12 C ATOM 0 H LEU A 110 -10.307 -1.236 -2.832 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.976 -1.917 -3.513 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.473 -1.743 -1.236 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.435 -0.285 -1.097 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.488 -2.106 0.100 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.717 -2.077 -0.940 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.961 -0.465 -0.939 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -15.005 -1.427 -2.436 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -14.336 -4.105 -1.076 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.554 -3.547 -2.574 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.562 -3.987 -1.163 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.109 1.239 -3.496 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.505 2.584 -3.878 1.00 0.19 C ATOM 1728 C CYS A 111 -12.858 2.621 -5.359 1.00 0.20 C ATOM 1729 O CYS A 111 -13.802 3.298 -5.770 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.373 3.569 -3.579 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.525 5.153 -4.430 1.00 0.22 S ATOM 0 H CYS A 111 -11.123 1.147 -3.252 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.383 2.873 -3.300 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -11.338 3.749 -2.505 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.424 3.110 -3.857 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.470 5.875 -4.195 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.090 1.882 -6.154 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.317 1.808 -7.591 1.00 0.22 C ATOM 1739 C VAL A 112 -13.596 1.036 -7.891 1.00 0.22 C ATOM 1740 O VAL A 112 -14.352 1.389 -8.796 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.134 1.132 -8.310 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.461 0.885 -9.774 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -9.879 1.979 -8.177 1.00 0.27 C ATOM 0 H VAL A 112 -11.302 1.324 -5.824 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.413 2.829 -7.960 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.952 0.167 -7.837 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.611 0.407 -10.261 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.333 0.236 -9.847 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -11.673 1.835 -10.265 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.052 1.488 -8.690 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.052 2.958 -8.623 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.631 2.099 -7.122 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.827 -0.025 -7.131 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.018 -0.838 -7.309 1.00 0.28 C ATOM 1755 C GLU A 113 -16.253 -0.043 -6.913 1.00 0.23 C ATOM 1756 O GLU A 113 -17.368 -0.356 -7.327 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.914 -2.116 -6.481 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.801 -3.038 -6.947 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.469 -4.110 -5.933 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.284 -5.040 -5.763 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.392 -4.020 -5.309 1.00 2.51 O ATOM 0 H GLU A 113 -13.205 -0.341 -6.387 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.104 -1.116 -8.359 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.746 -1.853 -5.437 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.863 -2.650 -6.527 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.094 -3.509 -7.885 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.908 -2.448 -7.152 1.00 0.53 H new ATOM 1768 N SER A 114 -16.038 0.991 -6.106 1.00 0.18 N ATOM 1769 CA SER A 114 -17.122 1.853 -5.661 1.00 0.19 C ATOM 1770 C SER A 114 -17.514 2.811 -6.779 1.00 0.22 C ATOM 1771 O SER A 114 -18.690 2.938 -7.117 1.00 0.28 O ATOM 1772 CB SER A 114 -16.703 2.633 -4.416 1.00 0.18 C ATOM 1773 OG SER A 114 -16.484 1.764 -3.319 1.00 0.20 O ATOM 0 H SER A 114 -15.119 1.251 -5.747 1.00 0.18 H new ATOM 0 HA SER A 114 -17.983 1.235 -5.407 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.793 3.196 -4.625 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.475 3.358 -4.161 1.00 0.18 H new ATOM 0 HG SER A 114 -15.607 1.336 -3.411 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.516 3.481 -7.352 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.751 4.413 -8.448 1.00 0.27 C ATOM 1781 C VAL A 115 -17.232 3.656 -9.682 1.00 0.28 C ATOM 1782 O VAL A 115 -17.871 4.223 -10.569 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.475 5.219 -8.789 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.295 4.292 -9.008 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -15.691 6.098 -10.012 1.00 1.10 C ATOM 0 H VAL A 115 -15.538 3.395 -7.074 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.520 5.117 -8.130 1.00 0.27 H new ATOM 0 HB VAL A 115 -15.255 5.866 -7.940 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.409 4.881 -9.246 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -14.113 3.714 -8.102 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -14.513 3.614 -9.833 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -14.778 6.652 -10.228 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.947 5.474 -10.868 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -16.503 6.798 -9.818 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.928 2.362 -9.718 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.330 1.508 -10.827 1.00 0.34 C ATOM 1797 C ASP A 116 -18.851 1.417 -10.907 1.00 0.35 C ATOM 1798 O ASP A 116 -19.426 1.393 -11.995 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.729 0.111 -10.659 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.073 -0.814 -11.810 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -18.130 -1.475 -11.745 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -16.283 -0.878 -12.775 1.00 0.60 O ATOM 0 H ASP A 116 -16.402 1.882 -8.988 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.959 1.945 -11.754 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.645 0.193 -10.575 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.088 -0.325 -9.727 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.495 1.369 -9.742 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.950 1.283 -9.672 1.00 0.35 C ATOM 1809 C LYS A 117 -21.567 2.672 -9.542 1.00 0.34 C ATOM 1810 O LYS A 117 -22.694 2.815 -9.067 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.382 0.422 -8.481 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.445 -0.737 -8.178 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.429 -1.762 -9.300 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.531 -2.939 -8.958 1.00 0.61 C ATOM 1815 NZ LYS A 117 -19.488 -3.943 -10.055 1.00 1.62 N ATOM 0 H LYS A 117 -19.031 1.388 -8.834 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.302 0.822 -10.595 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.456 1.055 -7.597 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.379 0.027 -8.675 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.436 -0.356 -8.020 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.753 -1.219 -7.250 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.443 -2.117 -9.486 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -20.082 -1.292 -10.220 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.522 -2.579 -8.756 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.888 -3.415 -8.045 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.865 -4.729 -9.782 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.447 -4.306 -10.231 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -19.123 -3.496 -10.920 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.818 3.691 -9.965 1.00 0.31 N ATOM 1830 CA GLU A 118 -21.282 5.076 -9.902 1.00 0.33 C ATOM 1831 C GLU A 118 -21.401 5.547 -8.452 1.00 0.31 C ATOM 1832 O GLU A 118 -22.130 6.493 -8.155 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.633 5.220 -10.610 1.00 0.40 C ATOM 1834 CG GLU A 118 -22.753 6.475 -11.458 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.002 6.366 -12.770 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.370 5.502 -13.594 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -21.051 7.147 -12.976 1.00 1.07 O ATOM 0 H GLU A 118 -19.883 3.581 -10.357 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.547 5.700 -10.409 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.795 4.348 -11.244 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -23.426 5.222 -9.862 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -23.806 6.672 -11.661 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -22.372 7.327 -10.895 1.00 0.49 H new ATOM 1844 N MET A 119 -20.675 4.883 -7.556 1.00 0.26 N ATOM 1845 CA MET A 119 -20.695 5.232 -6.138 1.00 0.26 C ATOM 1846 C MET A 119 -19.328 5.742 -5.694 1.00 0.25 C ATOM 1847 O MET A 119 -18.559 5.015 -5.065 1.00 0.23 O ATOM 1848 CB MET A 119 -21.089 4.017 -5.295 1.00 0.25 C ATOM 1849 CG MET A 119 -22.133 3.130 -5.953 1.00 0.28 C ATOM 1850 SD MET A 119 -22.408 1.592 -5.052 1.00 0.31 S ATOM 1851 CE MET A 119 -20.749 0.917 -5.006 1.00 0.29 C ATOM 0 H MET A 119 -20.065 4.099 -7.787 1.00 0.26 H new ATOM 0 HA MET A 119 -21.432 6.021 -5.992 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.198 3.424 -5.090 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.471 4.361 -4.334 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.073 3.676 -6.027 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.818 2.899 -6.971 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.774 -0.130 -5.309 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.109 1.477 -5.688 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.354 0.992 -3.993 1.00 0.29 H new ATOM 1861 N GLN A 120 -19.028 6.992 -6.022 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.745 7.583 -5.667 1.00 0.31 C ATOM 1863 C GLN A 120 -17.758 8.148 -4.251 1.00 0.32 C ATOM 1864 O GLN A 120 -16.737 8.631 -3.761 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.375 8.687 -6.654 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.444 8.259 -8.109 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.827 8.429 -8.705 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.586 9.308 -8.299 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -19.160 7.588 -9.677 1.00 0.55 N ATOM 0 H GLN A 120 -19.654 7.615 -6.532 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.999 6.790 -5.711 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.043 9.535 -6.503 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.365 9.034 -6.435 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.729 8.842 -8.689 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.144 7.214 -8.191 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.499 6.874 -9.982 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -20.077 7.656 -10.118 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.911 8.091 -3.595 1.00 0.32 N ATOM 1879 CA VAL A 121 -19.026 8.602 -2.235 1.00 0.35 C ATOM 1880 C VAL A 121 -18.320 7.681 -1.246 1.00 0.31 C ATOM 1881 O VAL A 121 -18.205 7.996 -0.061 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.496 8.788 -1.813 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.149 9.887 -2.637 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.266 7.485 -1.949 1.00 0.38 C ATOM 0 H VAL A 121 -19.772 7.700 -3.978 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.543 9.579 -2.223 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.517 9.084 -0.764 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.187 10.006 -2.327 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.614 10.824 -2.482 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.114 9.619 -3.693 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.301 7.641 -1.645 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -21.238 7.153 -2.987 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.812 6.726 -1.312 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.843 6.544 -1.745 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.129 5.579 -0.916 1.00 0.21 C ATOM 1896 C LEU A 122 -15.630 5.839 -0.985 1.00 0.19 C ATOM 1897 O LEU A 122 -14.866 5.357 -0.151 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.424 4.145 -1.370 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.775 3.567 -0.932 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.908 3.592 0.582 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.921 4.326 -1.583 1.00 0.22 C ATOM 0 H LEU A 122 -17.939 6.268 -2.722 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.471 5.696 0.112 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.372 4.111 -2.458 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.634 3.496 -0.993 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.822 2.529 -1.260 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.874 3.177 0.869 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.111 2.997 1.027 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.835 4.620 0.937 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.870 3.900 -1.259 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.875 5.375 -1.290 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.840 4.248 -2.667 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.221 6.601 -1.995 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.815 6.938 -2.190 1.00 0.20 C ATOM 1915 C VAL A 123 -13.211 7.530 -0.919 1.00 0.22 C ATOM 1916 O VAL A 123 -12.245 6.997 -0.372 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.644 7.943 -3.348 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.191 8.374 -3.485 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.156 7.347 -4.652 1.00 0.23 C ATOM 0 H VAL A 123 -15.848 6.999 -2.695 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.292 6.014 -2.437 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.236 8.829 -3.119 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.098 9.082 -4.308 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.863 8.848 -2.560 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.570 7.501 -3.685 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.027 8.070 -5.458 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.595 6.442 -4.884 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.213 7.102 -4.550 1.00 0.23 H new ATOM 1929 N SER A 124 -13.788 8.634 -0.459 1.00 0.24 N ATOM 1930 CA SER A 124 -13.309 9.308 0.742 1.00 0.28 C ATOM 1931 C SER A 124 -13.510 8.444 1.985 1.00 0.27 C ATOM 1932 O SER A 124 -12.675 8.444 2.890 1.00 0.33 O ATOM 1933 CB SER A 124 -14.029 10.646 0.915 1.00 0.36 C ATOM 1934 OG SER A 124 -13.546 11.342 2.050 1.00 1.35 O ATOM 0 H SER A 124 -14.590 9.082 -0.901 1.00 0.24 H new ATOM 0 HA SER A 124 -12.240 9.484 0.623 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.888 11.256 0.023 1.00 0.36 H new ATOM 0 HB3 SER A 124 -15.101 10.475 1.018 1.00 0.36 H new ATOM 0 HG SER A 124 -14.282 11.493 2.679 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.619 7.710 2.025 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.924 6.847 3.164 1.00 0.23 C ATOM 1942 C ARG A 125 -13.849 5.782 3.354 1.00 0.21 C ATOM 1943 O ARG A 125 -13.125 5.793 4.349 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.285 6.175 2.981 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.452 7.146 2.972 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.778 6.412 3.065 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.917 7.317 2.968 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.171 6.949 3.210 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.443 5.702 3.572 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.155 7.829 3.094 1.00 2.67 N ATOM 0 H ARG A 125 -15.320 7.695 1.284 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.951 7.476 4.054 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.281 5.617 2.044 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.433 5.451 3.782 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.358 7.839 3.808 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.426 7.741 2.059 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.837 5.670 2.269 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.826 5.870 4.010 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.742 8.285 2.700 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.689 5.022 3.665 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.407 5.423 3.757 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.950 8.790 2.819 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.117 7.546 3.280 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.762 4.862 2.396 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.783 3.778 2.442 1.00 0.19 C ATOM 1966 C ILE A 126 -11.403 4.288 2.846 1.00 0.20 C ATOM 1967 O ILE A 126 -10.713 3.660 3.647 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.681 3.063 1.078 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.045 2.498 0.672 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.639 1.953 1.134 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.113 2.055 -0.774 1.00 0.18 C ATOM 0 H ILE A 126 -14.363 4.846 1.572 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.131 3.070 3.194 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.369 3.789 0.328 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.283 1.650 1.314 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.809 3.255 0.847 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.580 1.460 0.164 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.667 2.379 1.384 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.923 1.225 1.894 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.108 1.666 -0.989 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.907 2.905 -1.425 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.373 1.275 -0.951 1.00 0.18 H new ATOM 1983 N ALA A 127 -11.007 5.428 2.288 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.709 6.020 2.596 1.00 0.24 C ATOM 1985 C ALA A 127 -9.557 6.258 4.095 1.00 0.24 C ATOM 1986 O ALA A 127 -8.502 5.994 4.672 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.530 7.326 1.835 1.00 0.27 C ATOM 0 H ALA A 127 -11.566 5.960 1.621 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.935 5.319 2.283 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.558 7.756 2.074 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.588 7.134 0.764 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.316 8.025 2.121 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.620 6.757 4.717 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.612 7.034 6.149 1.00 0.22 C ATOM 1995 C ALA A 128 -10.568 5.746 6.964 1.00 0.23 C ATOM 1996 O ALA A 128 -9.854 5.658 7.963 1.00 0.28 O ATOM 1997 CB ALA A 128 -11.830 7.861 6.531 1.00 0.23 C ATOM 0 H ALA A 128 -11.500 6.978 4.251 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.711 7.603 6.376 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -11.812 8.061 7.602 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -11.815 8.804 5.985 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.737 7.311 6.279 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.335 4.749 6.533 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.386 3.467 7.227 1.00 0.35 C ATOM 2005 C TRP A 129 -10.039 2.760 7.183 1.00 0.25 C ATOM 2006 O TRP A 129 -9.619 2.146 8.161 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.452 2.565 6.606 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.843 3.084 6.781 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.632 3.654 5.827 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.608 3.078 7.986 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.844 4.006 6.367 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.854 3.661 7.692 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.361 2.634 9.287 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.849 3.813 8.651 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.350 2.785 10.239 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.581 3.370 9.917 1.00 3.91 C ATOM 0 H TRP A 129 -11.930 4.805 5.706 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.640 3.668 8.268 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.246 2.451 5.542 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.383 1.573 7.052 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.346 3.806 4.797 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.611 4.451 5.864 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.415 2.181 9.544 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.799 4.264 8.405 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -15.171 2.446 11.249 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -17.334 3.473 10.684 1.00 3.91 H new ATOM 2027 N MET A 130 -9.368 2.849 6.042 1.00 0.24 N ATOM 2028 CA MET A 130 -8.072 2.210 5.867 1.00 0.26 C ATOM 2029 C MET A 130 -7.027 2.829 6.787 1.00 0.25 C ATOM 2030 O MET A 130 -6.348 2.122 7.531 1.00 0.29 O ATOM 2031 CB MET A 130 -7.622 2.314 4.412 1.00 0.31 C ATOM 2032 CG MET A 130 -8.482 1.507 3.454 1.00 0.29 C ATOM 2033 SD MET A 130 -8.055 1.794 1.727 1.00 1.08 S ATOM 2034 CE MET A 130 -6.339 1.278 1.711 1.00 0.31 C ATOM 0 H MET A 130 -9.701 3.358 5.223 1.00 0.24 H new ATOM 0 HA MET A 130 -8.176 1.158 6.131 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.638 3.361 4.109 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.589 1.975 4.334 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.373 0.446 3.680 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.530 1.760 3.612 1.00 0.29 H new ATOM 0 HE1 MET A 130 -5.999 1.176 0.680 1.00 0.31 H new ATOM 0 HE2 MET A 130 -5.730 2.024 2.221 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.242 0.320 2.222 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.900 4.151 6.728 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.938 4.862 7.562 1.00 0.24 C ATOM 2046 C ALA A 131 -6.195 4.585 9.039 1.00 0.24 C ATOM 2047 O ALA A 131 -5.296 4.162 9.765 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.999 6.356 7.283 1.00 0.25 C ATOM 0 H ALA A 131 -7.450 4.750 6.113 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.939 4.502 7.316 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.275 6.874 7.913 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.765 6.540 6.235 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -7.001 6.726 7.501 1.00 0.25 H new ATOM 2054 N THR A 132 -7.431 4.823 9.472 1.00 0.26 N ATOM 2055 CA THR A 132 -7.820 4.600 10.861 1.00 0.29 C ATOM 2056 C THR A 132 -7.493 3.177 11.300 1.00 0.30 C ATOM 2057 O THR A 132 -6.889 2.966 12.352 1.00 0.32 O ATOM 2058 CB THR A 132 -9.325 4.856 11.067 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.654 6.192 10.671 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.718 4.644 12.522 1.00 0.40 C ATOM 0 H THR A 132 -8.183 5.172 8.877 1.00 0.26 H new ATOM 0 HA THR A 132 -7.251 5.304 11.468 1.00 0.29 H new ATOM 0 HB THR A 132 -9.877 4.147 10.450 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.772 6.225 9.699 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.785 4.831 12.642 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.494 3.618 12.813 1.00 0.40 H new ATOM 0 HG23 THR A 132 -9.156 5.331 13.154 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.907 2.205 10.493 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.653 0.802 10.796 1.00 0.32 C ATOM 2070 C TYR A 133 -6.157 0.565 10.957 1.00 0.32 C ATOM 2071 O TYR A 133 -5.728 -0.302 11.718 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.207 -0.090 9.685 1.00 0.33 C ATOM 2073 CG TYR A 133 -8.491 -1.505 10.129 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -7.459 -2.411 10.335 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -9.793 -1.934 10.345 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -7.717 -3.704 10.744 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -10.060 -3.225 10.753 1.00 1.93 C ATOM 2078 CZ TYR A 133 -9.019 -4.106 10.951 1.00 2.40 C ATOM 2079 OH TYR A 133 -9.282 -5.394 11.357 1.00 3.13 O ATOM 0 H TYR A 133 -8.419 2.364 9.625 1.00 0.30 H new ATOM 0 HA TYR A 133 -8.155 0.550 11.730 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -9.126 0.352 9.300 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.495 -0.113 8.860 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -6.438 -2.099 10.173 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.611 -1.246 10.191 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -6.903 -4.397 10.901 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -11.079 -3.543 10.916 1.00 1.93 H new ATOM 0 HH TYR A 133 -10.249 -5.514 11.458 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.372 1.350 10.231 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.923 1.248 10.285 1.00 0.30 C ATOM 2091 C LEU A 134 -3.389 1.997 11.503 1.00 0.32 C ATOM 2092 O LEU A 134 -2.306 1.706 11.994 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.313 1.817 9.000 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.944 1.255 8.608 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.652 1.552 7.148 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.851 1.834 9.488 1.00 0.88 C ATOM 0 H LEU A 134 -5.719 2.068 9.595 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.643 0.198 10.373 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -4.007 1.637 8.179 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.223 2.898 9.110 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.965 0.175 8.752 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.676 1.147 6.883 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -2.418 1.092 6.523 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.653 2.630 6.989 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.113 1.420 9.191 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.830 2.918 9.377 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.049 1.580 10.529 1.00 0.88 H new ATOM 2108 N ASN A 135 -4.168 2.955 11.992 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.771 3.754 13.148 1.00 0.35 C ATOM 2110 C ASN A 135 -4.079 3.048 14.466 1.00 0.38 C ATOM 2111 O ASN A 135 -3.684 3.525 15.530 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.493 5.104 13.134 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.745 6.162 12.351 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -2.851 6.822 12.879 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.118 6.342 11.091 1.00 0.34 N ATOM 0 H ASN A 135 -5.080 3.199 11.606 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.693 3.900 13.077 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.486 4.975 12.704 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.631 5.447 14.159 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.658 7.051 10.519 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.865 5.772 10.694 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.770 1.915 14.404 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.140 1.200 15.623 1.00 0.42 C ATOM 2124 C ASP A 136 -4.718 -0.268 15.609 1.00 0.40 C ATOM 2125 O ASP A 136 -4.428 -0.839 16.661 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.653 1.295 15.833 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.140 0.415 16.967 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.162 0.892 18.121 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.501 -0.750 16.700 1.00 0.58 O ATOM 0 H ASP A 136 -5.082 1.476 13.538 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.606 1.677 16.445 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -6.923 2.331 16.040 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.163 1.010 14.912 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.674 -0.879 14.431 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.320 -2.293 14.333 1.00 0.38 C ATOM 2136 C HIS A 137 -2.929 -2.528 13.749 1.00 0.35 C ATOM 2137 O HIS A 137 -2.113 -3.234 14.341 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.351 -3.034 13.480 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.515 -3.561 14.259 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.787 -3.041 14.158 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.596 -4.579 15.147 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.601 -3.717 14.951 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.902 -4.655 15.560 1.00 1.34 N ATOM 0 H HIS A 137 -4.876 -0.426 13.540 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.314 -2.678 15.353 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.719 -2.361 12.706 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.860 -3.864 12.973 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -5.784 -5.213 15.470 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.658 -3.533 15.078 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -8.273 -5.329 16.230 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.663 -1.937 12.593 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.390 -2.140 11.910 1.00 0.29 C ATOM 2154 C LEU A 138 -0.250 -1.282 12.459 1.00 0.27 C ATOM 2155 O LEU A 138 0.880 -1.752 12.536 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.557 -1.884 10.410 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.221 -3.021 9.625 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -3.652 -3.244 10.092 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.191 -2.726 8.136 1.00 1.20 C ATOM 0 H LEU A 138 -3.309 -1.314 12.108 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.108 -3.177 12.092 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.148 -0.978 10.276 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.575 -1.691 9.979 1.00 0.30 H new ATOM 0 HG LEU A 138 -1.657 -3.935 9.812 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -4.099 -4.056 9.519 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -3.653 -3.504 11.151 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -4.230 -2.332 9.942 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.666 -3.543 7.594 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -2.728 -1.798 7.938 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -1.157 -2.624 7.806 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.536 -0.044 12.848 1.00 0.30 N ATOM 2172 CA GLU A 139 0.511 0.856 13.347 1.00 0.31 C ATOM 2173 C GLU A 139 1.395 0.192 14.409 1.00 0.30 C ATOM 2174 O GLU A 139 2.618 0.179 14.265 1.00 0.30 O ATOM 2175 CB GLU A 139 -0.082 2.157 13.897 1.00 0.38 C ATOM 2176 CG GLU A 139 0.976 3.183 14.272 1.00 0.40 C ATOM 2177 CD GLU A 139 0.382 4.457 14.837 1.00 0.49 C ATOM 2178 OE1 GLU A 139 -0.182 5.248 14.053 1.00 0.75 O ATOM 2179 OE2 GLU A 139 0.483 4.664 16.064 1.00 0.61 O ATOM 0 H GLU A 139 -1.472 0.361 12.830 1.00 0.30 H new ATOM 0 HA GLU A 139 1.141 1.093 12.490 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.750 2.589 13.152 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.687 1.931 14.775 1.00 0.38 H new ATOM 0 HG2 GLU A 139 1.655 2.747 15.005 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.571 3.424 13.391 1.00 0.40 H new ATOM 2186 N PRO A 140 0.811 -0.371 15.489 1.00 0.32 N ATOM 2187 CA PRO A 140 1.600 -1.015 16.545 1.00 0.34 C ATOM 2188 C PRO A 140 2.324 -2.261 16.047 1.00 0.32 C ATOM 2189 O PRO A 140 3.385 -2.617 16.556 1.00 0.34 O ATOM 2190 CB PRO A 140 0.560 -1.387 17.605 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.731 -1.459 16.867 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.637 -0.437 15.770 1.00 0.36 C ATOM 0 HA PRO A 140 2.385 -0.358 16.919 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.800 -2.340 18.076 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.520 -0.641 18.398 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -0.892 -2.457 16.458 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -1.571 -1.246 17.528 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.204 -0.739 14.889 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -1.030 0.529 16.086 1.00 0.36 H new ATOM 2200 N TRP A 141 1.746 -2.913 15.043 1.00 0.31 N ATOM 2201 CA TRP A 141 2.330 -4.125 14.478 1.00 0.32 C ATOM 2202 C TRP A 141 3.481 -3.793 13.534 1.00 0.31 C ATOM 2203 O TRP A 141 4.423 -4.572 13.387 1.00 0.36 O ATOM 2204 CB TRP A 141 1.262 -4.919 13.728 1.00 0.35 C ATOM 2205 CG TRP A 141 1.477 -6.399 13.781 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.544 -7.092 13.289 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.599 -7.368 14.360 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.381 -8.436 13.524 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.195 -8.630 14.182 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.635 -7.291 15.013 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.598 -9.805 14.634 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.225 -8.457 15.461 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.609 -9.699 15.270 1.00 1.20 C ATOM 0 H TRP A 141 0.873 -2.622 14.603 1.00 0.31 H new ATOM 0 HA TRP A 141 2.722 -4.725 15.299 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.284 -4.686 14.149 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.246 -4.598 12.686 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.392 -6.649 12.788 1.00 0.43 H new ATOM 0 HE1 TRP A 141 3.036 -9.169 13.253 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.118 -6.337 15.164 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.071 -10.765 14.488 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.178 -8.409 15.967 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.096 -10.592 15.632 1.00 1.20 H new ATOM 2224 N ILE A 142 3.395 -2.631 12.899 1.00 0.26 N ATOM 2225 CA ILE A 142 4.418 -2.187 11.963 1.00 0.26 C ATOM 2226 C ILE A 142 5.706 -1.841 12.699 1.00 0.29 C ATOM 2227 O ILE A 142 6.802 -2.148 12.231 1.00 0.32 O ATOM 2228 CB ILE A 142 3.931 -0.967 11.155 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.752 -1.367 10.270 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.057 -0.392 10.309 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.901 -0.199 9.828 1.00 0.26 C ATOM 0 H ILE A 142 2.622 -1.976 13.017 1.00 0.26 H new ATOM 0 HA ILE A 142 4.616 -3.006 11.272 1.00 0.26 H new ATOM 0 HB ILE A 142 3.606 -0.196 11.854 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.130 -1.884 9.388 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.127 -2.076 10.812 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.689 0.467 9.749 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.876 -0.079 10.957 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.415 -1.152 9.614 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.084 -0.560 9.203 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.493 0.306 10.704 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.512 0.501 9.258 1.00 0.26 H new ATOM 2243 N GLN A 143 5.564 -1.200 13.854 1.00 0.30 N ATOM 2244 CA GLN A 143 6.715 -0.825 14.662 1.00 0.35 C ATOM 2245 C GLN A 143 7.459 -2.072 15.125 1.00 0.39 C ATOM 2246 O GLN A 143 8.670 -2.043 15.344 1.00 0.43 O ATOM 2247 CB GLN A 143 6.272 0.005 15.868 1.00 0.41 C ATOM 2248 CG GLN A 143 5.490 1.254 15.493 1.00 0.43 C ATOM 2249 CD GLN A 143 6.272 2.185 14.585 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.499 2.250 14.652 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.562 2.912 13.731 1.00 0.52 N ATOM 0 H GLN A 143 4.664 -0.930 14.250 1.00 0.30 H new ATOM 0 HA GLN A 143 7.387 -0.220 14.053 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.658 -0.616 16.520 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.152 0.296 16.441 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.564 0.963 14.997 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.211 1.789 16.401 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.546 2.826 13.710 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.033 3.557 13.096 1.00 0.52 H new ATOM 2260 N GLU A 144 6.719 -3.169 15.270 1.00 0.40 N ATOM 2261 CA GLU A 144 7.299 -4.438 15.692 1.00 0.47 C ATOM 2262 C GLU A 144 8.184 -5.005 14.590 1.00 0.48 C ATOM 2263 O GLU A 144 9.089 -5.799 14.848 1.00 0.55 O ATOM 2264 CB GLU A 144 6.196 -5.441 16.037 1.00 0.51 C ATOM 2265 CG GLU A 144 5.289 -4.991 17.169 1.00 0.52 C ATOM 2266 CD GLU A 144 5.981 -5.014 18.517 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.026 -6.094 19.142 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.475 -3.952 18.949 1.00 0.67 O ATOM 0 H GLU A 144 5.714 -3.203 15.100 1.00 0.40 H new ATOM 0 HA GLU A 144 7.905 -4.261 16.580 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.591 -5.621 15.149 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.655 -6.392 16.308 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.934 -3.981 16.965 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.411 -5.637 17.205 1.00 0.52 H new ATOM 2275 N ASN A 145 7.909 -4.588 13.357 1.00 0.44 N ATOM 2276 CA ASN A 145 8.672 -5.046 12.204 1.00 0.48 C ATOM 2277 C ASN A 145 9.747 -4.030 11.830 1.00 0.47 C ATOM 2278 O ASN A 145 10.517 -4.243 10.892 1.00 0.57 O ATOM 2279 CB ASN A 145 7.742 -5.285 11.011 1.00 0.49 C ATOM 2280 CG ASN A 145 6.850 -6.502 11.193 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.434 -6.763 12.428 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.532 -7.198 10.229 1.00 0.54 N flip ATOM 0 H ASN A 145 7.161 -3.932 13.132 1.00 0.44 H new ATOM 0 HA ASN A 145 9.158 -5.985 12.469 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.119 -4.403 10.860 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.341 -5.411 10.109 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.873 -6.964 9.296 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.928 -8.009 10.363 1.00 0.54 H new ATOM 2289 N GLY A 146 9.791 -2.924 12.569 1.00 0.42 N ATOM 2290 CA GLY A 146 10.777 -1.891 12.306 1.00 0.45 C ATOM 2291 C GLY A 146 10.150 -0.552 11.968 1.00 0.44 C ATOM 2292 O GLY A 146 10.673 0.497 12.345 1.00 0.56 O ATOM 0 H GLY A 146 9.160 -2.725 13.346 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.418 -1.776 13.180 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.416 -2.206 11.481 1.00 0.45 H new ATOM 2296 N GLY A 147 9.026 -0.587 11.258 1.00 0.36 N ATOM 2297 CA GLY A 147 8.349 0.639 10.877 1.00 0.36 C ATOM 2298 C GLY A 147 8.296 0.819 9.373 1.00 0.38 C ATOM 2299 O GLY A 147 8.979 0.106 8.637 1.00 0.49 O ATOM 0 H GLY A 147 8.572 -1.443 10.940 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.335 0.631 11.276 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.862 1.490 11.325 1.00 0.36 H new ATOM 2303 N TRP A 148 7.480 1.764 8.910 1.00 0.35 N ATOM 2304 CA TRP A 148 7.362 2.028 7.480 1.00 0.37 C ATOM 2305 C TRP A 148 8.722 2.383 6.898 1.00 0.38 C ATOM 2306 O TRP A 148 9.055 1.994 5.778 1.00 0.40 O ATOM 2307 CB TRP A 148 6.385 3.173 7.213 1.00 0.39 C ATOM 2308 CG TRP A 148 5.007 2.931 7.736 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.058 2.110 7.203 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.420 3.531 8.890 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.912 2.165 7.959 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.112 3.029 9.003 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.877 4.443 9.842 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.256 3.411 10.030 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.027 4.821 10.861 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.729 4.305 10.948 1.00 3.32 C ATOM 0 H TRP A 148 6.895 2.355 9.501 1.00 0.35 H new ATOM 0 HA TRP A 148 6.983 1.124 7.003 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.778 4.085 7.663 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.329 3.346 6.138 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.188 1.506 6.317 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.053 1.647 7.773 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.877 4.846 9.782 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.254 3.015 10.099 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.369 5.527 11.604 1.00 3.57 H new ATOM 0 HH2 TRP A 148 2.088 4.620 11.758 1.00 3.32 H new ATOM 2327 N ASP A 149 9.500 3.133 7.671 1.00 0.42 N ATOM 2328 CA ASP A 149 10.829 3.549 7.249 1.00 0.47 C ATOM 2329 C ASP A 149 11.711 2.333 6.992 1.00 0.47 C ATOM 2330 O ASP A 149 12.646 2.389 6.198 1.00 0.52 O ATOM 2331 CB ASP A 149 11.462 4.449 8.309 1.00 0.56 C ATOM 2332 CG ASP A 149 12.756 5.076 7.837 1.00 1.23 C ATOM 2333 OD1 ASP A 149 12.705 5.922 6.920 1.00 1.72 O ATOM 2334 OD2 ASP A 149 13.819 4.724 8.386 1.00 1.96 O ATOM 0 H ASP A 149 9.230 3.466 8.597 1.00 0.42 H new ATOM 0 HA ASP A 149 10.738 4.113 6.320 1.00 0.47 H new ATOM 0 HB2 ASP A 149 10.758 5.236 8.581 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.652 3.866 9.210 1.00 0.56 H new ATOM 2339 N THR A 150 11.408 1.237 7.679 1.00 0.47 N ATOM 2340 CA THR A 150 12.157 0.000 7.512 1.00 0.51 C ATOM 2341 C THR A 150 11.629 -0.767 6.309 1.00 0.50 C ATOM 2342 O THR A 150 12.342 -1.559 5.693 1.00 0.56 O ATOM 2343 CB THR A 150 12.065 -0.894 8.763 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.404 -0.137 9.931 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.998 -2.091 8.645 1.00 0.67 C ATOM 0 H THR A 150 10.648 1.181 8.357 1.00 0.47 H new ATOM 0 HA THR A 150 13.203 0.266 7.358 1.00 0.51 H new ATOM 0 HB THR A 150 11.041 -1.257 8.847 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.804 -0.730 10.601 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.915 -2.707 9.540 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.723 -2.682 7.771 1.00 0.67 H new ATOM 0 HG23 THR A 150 14.025 -1.742 8.539 1.00 0.67 H new ATOM 2353 N PHE A 151 10.366 -0.518 5.982 1.00 0.45 N ATOM 2354 CA PHE A 151 9.726 -1.168 4.850 1.00 0.47 C ATOM 2355 C PHE A 151 10.336 -0.678 3.542 1.00 0.48 C ATOM 2356 O PHE A 151 10.465 -1.439 2.582 1.00 0.55 O ATOM 2357 CB PHE A 151 8.221 -0.896 4.867 1.00 0.47 C ATOM 2358 CG PHE A 151 7.495 -1.505 3.707 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.330 -2.876 3.623 1.00 1.80 C ATOM 2360 CD2 PHE A 151 6.987 -0.707 2.697 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.669 -3.442 2.553 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.326 -1.267 1.623 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.168 -2.636 1.551 1.00 3.00 C ATOM 0 H PHE A 151 9.765 0.132 6.488 1.00 0.45 H new ATOM 0 HA PHE A 151 9.889 -2.243 4.928 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.799 -1.284 5.794 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.054 0.181 4.866 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.723 -3.510 4.404 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.109 0.365 2.750 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.544 -4.513 2.499 1.00 2.65 H new ATOM 0 HE2 PHE A 151 5.933 -0.635 0.840 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.652 -3.077 0.711 1.00 3.00 H new ATOM 2373 N VAL A 152 10.708 0.599 3.512 1.00 0.45 N ATOM 2374 CA VAL A 152 11.319 1.190 2.329 1.00 0.49 C ATOM 2375 C VAL A 152 12.796 0.798 2.248 1.00 0.57 C ATOM 2376 O VAL A 152 13.502 1.149 1.304 1.00 0.64 O ATOM 2377 CB VAL A 152 11.169 2.729 2.329 1.00 0.60 C ATOM 2378 CG1 VAL A 152 11.882 3.341 3.521 1.00 1.15 C ATOM 2379 CG2 VAL A 152 11.676 3.335 1.029 1.00 0.91 C ATOM 0 H VAL A 152 10.596 1.243 4.295 1.00 0.45 H new ATOM 0 HA VAL A 152 10.800 0.805 1.451 1.00 0.49 H new ATOM 0 HB VAL A 152 10.106 2.958 2.411 1.00 0.60 H new ATOM 0 HG11 VAL A 152 11.763 4.424 3.500 1.00 1.15 H new ATOM 0 HG12 VAL A 152 11.454 2.947 4.443 1.00 1.15 H new ATOM 0 HG13 VAL A 152 12.942 3.092 3.478 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.556 4.418 1.061 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.730 3.090 0.900 1.00 0.91 H new ATOM 0 HG23 VAL A 152 11.105 2.932 0.193 1.00 0.91 H new ATOM 2389 N GLU A 153 13.254 0.058 3.252 1.00 0.59 N ATOM 2390 CA GLU A 153 14.634 -0.411 3.289 1.00 0.69 C ATOM 2391 C GLU A 153 14.727 -1.785 2.638 1.00 0.70 C ATOM 2392 O GLU A 153 15.807 -2.237 2.257 1.00 0.80 O ATOM 2393 CB GLU A 153 15.144 -0.480 4.730 1.00 0.76 C ATOM 2394 CG GLU A 153 15.243 0.875 5.410 1.00 0.80 C ATOM 2395 CD GLU A 153 16.349 1.737 4.835 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.498 1.624 5.312 1.00 1.58 O ATOM 2397 OE2 GLU A 153 16.066 2.527 3.910 1.00 1.67 O ATOM 0 H GLU A 153 12.689 -0.230 4.051 1.00 0.59 H new ATOM 0 HA GLU A 153 15.256 0.294 2.738 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.480 -1.120 5.311 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.127 -0.952 4.736 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.292 1.397 5.311 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.417 0.730 6.476 1.00 0.80 H new ATOM 2404 N LEU A 154 13.576 -2.440 2.517 1.00 0.67 N ATOM 2405 CA LEU A 154 13.497 -3.763 1.910 1.00 0.72 C ATOM 2406 C LEU A 154 12.867 -3.675 0.524 1.00 0.74 C ATOM 2407 O LEU A 154 13.427 -4.158 -0.460 1.00 0.83 O ATOM 2408 CB LEU A 154 12.666 -4.701 2.791 1.00 0.72 C ATOM 2409 CG LEU A 154 13.021 -4.690 4.279 1.00 0.83 C ATOM 2410 CD1 LEU A 154 12.015 -5.512 5.069 1.00 1.30 C ATOM 2411 CD2 LEU A 154 14.428 -5.222 4.498 1.00 1.14 C ATOM 0 H LEU A 154 12.679 -2.072 2.834 1.00 0.67 H new ATOM 0 HA LEU A 154 14.508 -4.159 1.817 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.614 -4.436 2.684 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.778 -5.718 2.416 1.00 0.72 H new ATOM 0 HG LEU A 154 12.984 -3.660 4.634 1.00 0.83 H new ATOM 0 HD11 LEU A 154 12.281 -5.495 6.126 1.00 1.30 H new ATOM 0 HD12 LEU A 154 11.018 -5.090 4.939 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.024 -6.541 4.710 1.00 1.30 H new ATOM 0 HD21 LEU A 154 14.661 -5.206 5.563 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.492 -6.245 4.128 1.00 1.14 H new ATOM 0 HD23 LEU A 154 15.141 -4.597 3.961 1.00 1.14 H new ATOM 2423 N TYR A 155 11.695 -3.051 0.465 1.00 0.69 N ATOM 2424 CA TYR A 155 10.964 -2.888 -0.786 1.00 0.78 C ATOM 2425 C TYR A 155 10.987 -1.435 -1.245 1.00 0.77 C ATOM 2426 O TYR A 155 10.080 -0.981 -1.942 1.00 1.15 O ATOM 2427 CB TYR A 155 9.518 -3.346 -0.603 1.00 0.86 C ATOM 2428 CG TYR A 155 9.211 -4.660 -1.275 1.00 1.40 C ATOM 2429 CD1 TYR A 155 9.598 -5.864 -0.702 1.00 1.83 C ATOM 2430 CD2 TYR A 155 8.533 -4.696 -2.485 1.00 2.24 C ATOM 2431 CE1 TYR A 155 9.317 -7.067 -1.316 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.247 -5.895 -3.105 1.00 3.16 C ATOM 2433 CZ TYR A 155 8.642 -7.077 -2.517 1.00 3.24 C ATOM 2434 OH TYR A 155 8.359 -8.274 -3.132 1.00 4.24 O ATOM 0 H TYR A 155 11.228 -2.647 1.277 1.00 0.69 H new ATOM 0 HA TYR A 155 11.448 -3.498 -1.548 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.306 -3.434 0.463 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.850 -2.581 -0.999 1.00 0.86 H new ATOM 0 HD1 TYR A 155 10.127 -5.859 0.239 1.00 1.83 H new ATOM 0 HD2 TYR A 155 8.224 -3.771 -2.949 1.00 2.24 H new ATOM 0 HE1 TYR A 155 9.624 -7.995 -0.858 1.00 2.65 H new ATOM 0 HE2 TYR A 155 7.717 -5.907 -4.046 1.00 3.16 H new ATOM 0 HH TYR A 155 7.878 -8.106 -3.969 1.00 4.24 H new ATOM 2444 N GLY A 156 12.038 -0.720 -0.857 1.00 0.66 N ATOM 2445 CA GLY A 156 12.173 0.680 -1.215 1.00 0.64 C ATOM 2446 C GLY A 156 11.894 0.964 -2.677 1.00 0.78 C ATOM 2447 O GLY A 156 12.077 0.101 -3.536 1.00 1.10 O ATOM 0 H GLY A 156 12.805 -1.090 -0.296 1.00 0.66 H new ATOM 0 HA2 GLY A 156 11.491 1.270 -0.603 1.00 0.64 H new ATOM 0 HA3 GLY A 156 13.184 1.011 -0.976 1.00 0.64 H new ATOM 2451 N ASN A 157 11.447 2.185 -2.950 1.00 0.70 N ATOM 2452 CA ASN A 157 11.140 2.609 -4.309 1.00 0.80 C ATOM 2453 C ASN A 157 12.381 2.533 -5.189 1.00 1.14 C ATOM 2454 O ASN A 157 13.363 3.235 -4.952 1.00 1.29 O ATOM 2455 CB ASN A 157 10.595 4.036 -4.294 1.00 0.70 C ATOM 2456 CG ASN A 157 10.427 4.611 -5.684 1.00 0.77 C ATOM 2457 OD1 ASN A 157 9.256 4.403 -6.274 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 11.338 5.239 -6.218 1.00 0.76 N flip ATOM 0 H ASN A 157 11.289 2.902 -2.242 1.00 0.70 H new ATOM 0 HA ASN A 157 10.385 1.939 -4.721 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.633 4.048 -3.781 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.269 4.672 -3.721 1.00 0.70 H new ATOM 0 HD21 ASN A 157 12.221 5.374 -5.726 1.00 0.76 H new ATOM 0 HD22 ASN A 157 11.211 5.626 -7.153 1.00 0.76 H new ATOM 2969 N GLY B1005 -12.141 -13.931 2.321 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.572 -14.305 3.603 1.00 1.07 C ATOM 2971 C GLY B1005 -10.444 -15.318 3.476 1.00 1.05 C ATOM 2972 O GLY B1005 -9.594 -15.423 4.360 1.00 1.20 O ATOM 0 HA2 GLY B1005 -11.197 -13.412 4.103 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.356 -14.719 4.236 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.437 -16.062 2.371 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.408 -17.070 2.127 1.00 1.08 C ATOM 2978 C ARG B1006 -8.477 -16.645 0.995 1.00 1.04 C ATOM 2979 O ARG B1006 -7.264 -16.842 1.068 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.048 -18.417 1.773 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.652 -19.152 2.959 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.893 -18.451 3.484 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.625 -19.281 4.434 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.449 -19.224 5.749 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -11.568 -18.378 6.266 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -13.154 -20.012 6.547 1.00 2.87 N ATOM 0 H ARG B1006 -11.134 -15.985 1.630 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.826 -17.172 3.043 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -10.826 -18.252 1.028 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.294 -19.054 1.311 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -10.907 -20.170 2.664 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.912 -19.226 3.756 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.606 -17.516 3.965 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.545 -18.193 2.649 1.00 1.55 H new ATOM 0 HE ARG B1006 -13.310 -19.942 4.068 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.025 -17.770 5.653 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -11.434 -18.335 7.276 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -13.832 -20.663 6.151 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -13.018 -19.968 7.557 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.058 -16.064 -0.051 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.295 -15.621 -1.215 1.00 1.05 C ATOM 3002 C ALA B1007 -7.192 -14.637 -0.841 1.00 1.02 C ATOM 3003 O ALA B1007 -6.020 -15.002 -0.790 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.225 -14.994 -2.242 1.00 1.10 C ATOM 0 H ALA B1007 -10.061 -15.888 -0.117 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.816 -16.501 -1.643 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.646 -14.667 -3.106 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.966 -15.728 -2.559 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.731 -14.136 -1.799 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.577 -13.391 -0.584 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.621 -12.341 -0.237 1.00 0.83 C ATOM 3012 C LEU B1008 -5.689 -12.772 0.893 1.00 0.78 C ATOM 3013 O LEU B1008 -4.515 -12.402 0.913 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.357 -11.054 0.156 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.077 -10.318 -0.984 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.139 -10.082 -2.159 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.312 -11.086 -1.431 1.00 1.33 C ATOM 0 H LEU B1008 -8.548 -13.081 -0.609 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.011 -12.153 -1.121 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.090 -11.298 0.925 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.638 -10.370 0.607 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.397 -9.347 -0.605 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -7.674 -9.559 -2.952 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.292 -9.478 -1.833 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -6.778 -11.040 -2.535 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.804 -10.545 -2.239 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.018 -12.075 -1.783 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.000 -11.190 -0.592 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.216 -13.551 1.832 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.424 -14.029 2.960 1.00 0.78 C ATOM 3031 C ALA B1009 -4.282 -14.914 2.487 1.00 0.80 C ATOM 3032 O ALA B1009 -3.171 -14.855 3.014 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.302 -14.798 3.934 1.00 0.88 C ATOM 0 H ALA B1009 -7.187 -13.864 1.835 1.00 0.78 H new ATOM 0 HA ALA B1009 -5.002 -13.161 3.467 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.697 -15.148 4.770 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.092 -14.145 4.306 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.748 -15.653 3.425 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.569 -15.731 1.483 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.584 -16.647 0.933 1.00 0.94 C ATOM 3041 C ALA B1010 -2.632 -15.941 -0.030 1.00 0.92 C ATOM 3042 O ALA B1010 -1.413 -16.036 0.113 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.291 -17.803 0.248 1.00 1.03 C ATOM 0 H ALA B1010 -5.483 -15.777 1.032 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.978 -17.033 1.753 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.551 -18.489 -0.164 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.912 -18.331 0.972 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.919 -17.420 -0.557 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.191 -15.237 -1.013 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.383 -14.512 -1.990 1.00 0.93 C ATOM 3051 C PHE B1011 -1.514 -13.464 -1.302 1.00 0.85 C ATOM 3052 O PHE B1011 -0.461 -13.082 -1.815 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.275 -13.833 -3.033 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.955 -14.789 -3.973 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.248 -15.393 -5.001 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.302 -15.079 -3.833 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.872 -16.269 -5.869 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.931 -15.953 -4.698 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.215 -16.548 -5.718 1.00 1.46 C ATOM 0 H PHE B1011 -4.198 -15.154 -1.153 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.738 -15.234 -2.490 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.034 -13.244 -2.518 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.671 -13.136 -3.614 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.197 -15.177 -5.125 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.867 -14.616 -3.038 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.309 -16.735 -6.665 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.982 -16.171 -4.577 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.705 -17.231 -6.396 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.962 -13.008 -0.134 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.221 -12.005 0.612 1.00 0.72 C ATOM 3071 C GLY B1012 0.009 -12.570 1.293 1.00 0.73 C ATOM 3072 O GLY B1012 0.646 -11.891 2.099 1.00 0.78 O ATOM 0 H GLY B1012 -2.827 -13.317 0.309 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.921 -11.204 -0.064 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.875 -11.561 1.363 1.00 0.72 H new ATOM 3076 N ASP B1013 0.342 -13.815 0.972 1.00 0.78 N ATOM 3077 CA ASP B1013 1.506 -14.471 1.553 1.00 0.86 C ATOM 3078 C ASP B1013 2.639 -14.543 0.535 1.00 0.93 C ATOM 3079 O ASP B1013 3.750 -14.969 0.852 1.00 1.06 O ATOM 3080 CB ASP B1013 1.135 -15.877 2.026 1.00 0.98 C ATOM 3081 CG ASP B1013 2.270 -16.561 2.762 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.384 -16.365 3.989 1.00 1.90 O ATOM 3083 OD2 ASP B1013 3.045 -17.291 2.111 1.00 1.48 O ATOM 0 H ASP B1013 -0.179 -14.391 0.311 1.00 0.78 H new ATOM 0 HA ASP B1013 1.844 -13.887 2.409 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.265 -15.819 2.680 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.847 -16.482 1.166 1.00 0.98 H new ATOM 3088 N CYS B1014 2.347 -14.114 -0.689 1.00 0.93 N ATOM 3089 CA CYS B1014 3.331 -14.133 -1.766 1.00 1.06 C ATOM 3090 C CYS B1014 3.990 -12.767 -1.937 1.00 1.08 C ATOM 3091 O CYS B1014 4.866 -12.594 -2.783 1.00 1.44 O ATOM 3092 CB CYS B1014 2.661 -14.546 -3.079 1.00 1.12 C ATOM 3093 SG CYS B1014 1.472 -15.918 -2.914 1.00 1.34 S ATOM 0 H CYS B1014 1.434 -13.748 -0.960 1.00 0.93 H new ATOM 0 HA CYS B1014 4.103 -14.857 -1.503 1.00 1.06 H new ATOM 0 HB2 CYS B1014 2.145 -13.682 -3.498 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.433 -14.833 -3.793 1.00 1.12 H new ATOM 0 HG CYS B1014 0.959 -16.190 -4.077 1.00 1.34 H new