USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=36 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 48 GLN :FLIP amide:sc= -3.07! C(o=-8.8!,f=-3.1!) USER MOD Set 1.2: A 157 ASN :FLIP amide:sc= -0.0719 X(o=-3.4,f=-3.1) USER MOD Set 2.1: A 5 ASN : amide:sc= -3.87! C(o=-2.9!,f=-2.7!) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.935 K(o=-2.9,f=-3.9) USER MOD Set 3.1: A 80 TYR OH : rot -34:sc= 1.32 USER MOD Set 3.2: A 133 TYR OH : rot 180:sc= 1.07 USER MOD Set 4.1: A 23 SER OG : rot -111:sc= 0.275 USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0.274 USER MOD Set 5.1: A 16 LYS NZ :NH3+ 178:sc= 1.01 (180deg=0.912) USER MOD Set 5.2: A 19 GLN : amide:sc= -0.34 K(o=0.67,f=-0.52) USER MOD Single : A 3 GLN : amide:sc= -0.754 K(o=-0.75,f=-1.9) USER MOD Single : A 4 SER OG : rot -155:sc= 1.25 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 18 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0204 K(o=-0.02,f=-4.5!) USER MOD Single : A 28 SER OG : rot -46:sc= -0.0256 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -132:sc= 0.449 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 1.01 (180deg=-0.577) USER MOD Single : A 61 TYR OH : rot -172:sc= -5.37! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -96:sc= 1.26 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.03 F(o=-2.9,f=-1) USER MOD Single : A 73 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.24) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.38! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 81 GLN : amide:sc= -0.73 X(o=-0.73,f=-0.6) USER MOD Single : A 82 SER OG : rot -117:sc= 0.65 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 88 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.0031) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.49 F(o=-2.8,f=-0.49) USER MOD Single : A 105 SER OG : rot 68:sc= 1.09 USER MOD Single : A 111 CYS SG : rot 167:sc= -10.1! USER MOD Single : A 114 SER OG : rot 69:sc= 1.2 USER MOD Single : A 117 LYS NZ :NH3+ 134:sc= 2.48 (180deg=0.232!) USER MOD Single : A 119 MET CE :methyl -152:sc= -3.93! (180deg=-8.07!) USER MOD Single : A 120 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.93) USER MOD Single : A 124 SER OG : rot -91:sc= -2.12 USER MOD Single : A 130 MET CE :methyl -131:sc= -3.43 (180deg=-7.21!) USER MOD Single : A 132 THR OG1 : rot 72:sc= 0.472 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.45) USER MOD Single : A 145 ASN : amide:sc= 1.08 K(o=1.1,f=-0.47) USER MOD Single : A 150 THR OG1 : rot -150:sc= 0 USER MOD Single : A 155 TYR OH : rot -108:sc= 0.838 USER MOD Single : B1014 CYS SG : rot 133:sc= -5.87! USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -0.549 10.231 11.548 1.00 0.73 N ATOM 32 CA GLN A 3 -1.234 10.927 10.465 1.00 0.73 C ATOM 33 C GLN A 3 -0.584 10.608 9.126 1.00 0.61 C ATOM 34 O GLN A 3 -1.164 10.841 8.070 1.00 0.64 O ATOM 35 CB GLN A 3 -1.239 12.441 10.703 1.00 0.83 C ATOM 36 CG GLN A 3 -2.172 12.893 11.820 1.00 1.13 C ATOM 37 CD GLN A 3 -1.752 12.405 13.196 1.00 1.76 C ATOM 38 OE1 GLN A 3 -0.564 12.233 13.480 1.00 2.42 O ATOM 39 NE2 GLN A 3 -2.728 12.163 14.053 1.00 2.22 N ATOM 0 HA GLN A 3 -2.267 10.579 10.444 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.225 12.764 10.938 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.527 12.942 9.779 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.216 13.982 11.827 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.179 12.535 11.608 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -3.698 12.318 13.778 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -2.511 11.821 14.989 1.00 2.22 H new ATOM 48 N SER A 4 0.615 10.055 9.179 1.00 0.55 N ATOM 49 CA SER A 4 1.341 9.673 7.982 1.00 0.52 C ATOM 50 C SER A 4 0.669 8.496 7.282 1.00 0.45 C ATOM 51 O SER A 4 0.698 8.398 6.055 1.00 0.46 O ATOM 52 CB SER A 4 2.774 9.319 8.359 1.00 0.61 C ATOM 53 OG SER A 4 2.794 8.535 9.538 1.00 1.25 O ATOM 0 H SER A 4 1.110 9.859 10.049 1.00 0.55 H new ATOM 0 HA SER A 4 1.341 10.512 7.287 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.247 8.773 7.543 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.353 10.230 8.510 1.00 0.61 H new ATOM 0 HG SER A 4 3.656 8.647 9.991 1.00 1.25 H new ATOM 59 N ASN A 5 0.045 7.617 8.067 1.00 0.43 N ATOM 60 CA ASN A 5 -0.640 6.447 7.518 1.00 0.39 C ATOM 61 C ASN A 5 -1.776 6.885 6.609 1.00 0.35 C ATOM 62 O ASN A 5 -2.168 6.166 5.691 1.00 0.35 O ATOM 63 CB ASN A 5 -1.212 5.561 8.624 1.00 0.40 C ATOM 64 CG ASN A 5 -0.201 5.161 9.674 1.00 0.80 C ATOM 65 OD1 ASN A 5 0.981 4.971 9.387 1.00 1.78 O ATOM 66 ND2 ASN A 5 -0.671 5.039 10.905 1.00 0.53 N ATOM 0 H ASN A 5 -0.000 7.693 9.083 1.00 0.43 H new ATOM 0 HA ASN A 5 0.096 5.874 6.954 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -2.035 6.087 9.108 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.630 4.660 8.175 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -0.045 4.777 11.666 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.659 5.207 11.093 1.00 0.53 H new ATOM 73 N ARG A 6 -2.298 8.074 6.880 1.00 0.35 N ATOM 74 CA ARG A 6 -3.345 8.665 6.067 1.00 0.34 C ATOM 75 C ARG A 6 -2.874 8.782 4.625 1.00 0.31 C ATOM 76 O ARG A 6 -3.556 8.346 3.703 1.00 0.30 O ATOM 77 CB ARG A 6 -3.720 10.036 6.635 1.00 0.41 C ATOM 78 CG ARG A 6 -4.720 10.810 5.794 1.00 0.59 C ATOM 79 CD ARG A 6 -5.978 10.001 5.525 1.00 0.41 C ATOM 80 NE ARG A 6 -6.712 9.672 6.748 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.847 10.267 7.121 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.289 11.344 6.481 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.509 9.812 8.177 1.00 0.93 N ATOM 0 H ARG A 6 -2.006 8.652 7.668 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.230 8.029 6.086 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.132 9.901 7.635 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.814 10.632 6.741 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.985 11.735 6.305 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.259 11.090 4.847 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.630 10.562 4.855 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.709 9.079 5.009 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.333 8.943 7.352 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.760 11.724 5.696 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.158 11.791 6.774 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.150 9.012 8.698 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.377 10.262 8.468 1.00 0.93 H new ATOM 97 N GLU A 7 -1.685 9.336 4.457 1.00 0.30 N ATOM 98 CA GLU A 7 -1.077 9.496 3.142 1.00 0.29 C ATOM 99 C GLU A 7 -0.950 8.167 2.437 1.00 0.25 C ATOM 100 O GLU A 7 -1.250 8.041 1.254 1.00 0.26 O ATOM 101 CB GLU A 7 0.322 10.070 3.287 1.00 0.31 C ATOM 102 CG GLU A 7 0.359 11.458 3.862 1.00 0.40 C ATOM 103 CD GLU A 7 1.765 11.968 4.008 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.394 12.324 2.991 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.230 12.058 5.157 1.00 0.53 O ATOM 0 H GLU A 7 -1.113 9.688 5.225 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.717 10.163 2.564 1.00 0.29 H new ATOM 0 HB2 GLU A 7 0.910 9.409 3.923 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.802 10.081 2.308 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.207 12.132 3.219 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.131 11.461 4.836 1.00 0.40 H new ATOM 112 N LEU A 8 -0.488 7.190 3.189 1.00 0.26 N ATOM 113 CA LEU A 8 -0.190 5.870 2.664 1.00 0.27 C ATOM 114 C LEU A 8 -1.447 5.242 2.084 1.00 0.28 C ATOM 115 O LEU A 8 -1.392 4.448 1.148 1.00 0.40 O ATOM 116 CB LEU A 8 0.388 5.017 3.789 1.00 0.34 C ATOM 117 CG LEU A 8 1.336 5.778 4.723 1.00 0.41 C ATOM 118 CD1 LEU A 8 1.911 4.868 5.793 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.441 6.466 3.932 1.00 1.16 C ATOM 0 H LEU A 8 -0.307 7.288 4.188 1.00 0.26 H new ATOM 0 HA LEU A 8 0.542 5.940 1.860 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.432 4.605 4.377 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.923 4.173 3.353 1.00 0.34 H new ATOM 0 HG LEU A 8 0.755 6.549 5.230 1.00 0.41 H new ATOM 0 HD11 LEU A 8 2.578 5.440 6.437 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.100 4.451 6.390 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.468 4.058 5.321 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.101 6.999 4.617 1.00 1.16 H new ATOM 0 HD22 LEU A 8 3.015 5.719 3.383 1.00 1.16 H new ATOM 0 HD23 LEU A 8 2.000 7.173 3.229 1.00 1.16 H new ATOM 131 N VAL A 9 -2.577 5.627 2.650 1.00 0.23 N ATOM 132 CA VAL A 9 -3.869 5.229 2.140 1.00 0.23 C ATOM 133 C VAL A 9 -4.260 6.107 0.957 1.00 0.23 C ATOM 134 O VAL A 9 -4.466 5.620 -0.152 1.00 0.24 O ATOM 135 CB VAL A 9 -4.929 5.348 3.245 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.328 5.158 2.692 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.645 4.343 4.342 1.00 0.27 C ATOM 0 H VAL A 9 -2.621 6.224 3.476 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.810 4.192 1.809 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.877 6.353 3.663 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.054 5.248 3.500 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.528 5.919 1.938 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.409 4.170 2.240 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.401 4.433 5.122 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.670 3.335 3.927 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.660 4.537 4.767 1.00 0.27 H new ATOM 147 N VAL A 10 -4.345 7.405 1.216 1.00 0.23 N ATOM 148 CA VAL A 10 -4.799 8.382 0.232 1.00 0.25 C ATOM 149 C VAL A 10 -4.039 8.279 -1.084 1.00 0.25 C ATOM 150 O VAL A 10 -4.652 8.137 -2.143 1.00 0.27 O ATOM 151 CB VAL A 10 -4.656 9.806 0.784 1.00 0.28 C ATOM 152 CG1 VAL A 10 -5.088 10.836 -0.239 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.464 9.944 2.053 1.00 0.32 C ATOM 0 H VAL A 10 -4.100 7.813 2.118 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.848 8.160 0.034 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.605 9.987 1.009 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.975 11.835 0.181 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.468 10.745 -1.131 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.132 10.670 -0.504 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.360 10.957 2.442 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.514 9.743 1.839 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.102 9.232 2.794 1.00 0.32 H new ATOM 163 N ASP A 11 -2.713 8.355 -1.015 1.00 0.26 N ATOM 164 CA ASP A 11 -1.879 8.310 -2.213 1.00 0.28 C ATOM 165 C ASP A 11 -2.152 7.038 -3.000 1.00 0.31 C ATOM 166 O ASP A 11 -2.167 7.045 -4.230 1.00 0.35 O ATOM 167 CB ASP A 11 -0.396 8.380 -1.841 1.00 0.32 C ATOM 168 CG ASP A 11 0.500 8.549 -3.053 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.595 9.683 -3.571 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.129 7.561 -3.484 1.00 0.49 O ATOM 0 H ASP A 11 -2.193 8.448 -0.143 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.127 9.172 -2.832 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.236 9.212 -1.156 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.115 7.471 -1.309 1.00 0.32 H new ATOM 175 N PHE A 12 -2.410 5.954 -2.277 1.00 0.32 N ATOM 176 CA PHE A 12 -2.663 4.672 -2.904 1.00 0.38 C ATOM 177 C PHE A 12 -4.036 4.666 -3.572 1.00 0.34 C ATOM 178 O PHE A 12 -4.157 4.266 -4.731 1.00 0.39 O ATOM 179 CB PHE A 12 -2.557 3.535 -1.886 1.00 0.46 C ATOM 180 CG PHE A 12 -2.254 2.202 -2.515 1.00 0.76 C ATOM 181 CD1 PHE A 12 -3.257 1.451 -3.108 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.960 1.706 -2.517 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.973 0.230 -3.691 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.671 0.485 -3.097 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.679 -0.252 -3.685 1.00 1.61 C ATOM 0 H PHE A 12 -2.448 5.942 -1.258 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.904 4.513 -3.669 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.777 3.774 -1.164 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.493 3.464 -1.332 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -4.271 1.824 -3.115 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.168 2.280 -2.060 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.762 -0.346 -4.151 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.341 0.109 -3.090 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.456 -1.206 -4.140 1.00 1.61 H new ATOM 195 N LEU A 13 -5.073 5.118 -2.857 1.00 0.28 N ATOM 196 CA LEU A 13 -6.410 5.186 -3.440 1.00 0.28 C ATOM 197 C LEU A 13 -6.424 6.131 -4.635 1.00 0.30 C ATOM 198 O LEU A 13 -7.014 5.823 -5.670 1.00 0.34 O ATOM 199 CB LEU A 13 -7.464 5.622 -2.410 1.00 0.25 C ATOM 200 CG LEU A 13 -8.036 4.494 -1.546 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.144 4.190 -0.369 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.440 4.830 -1.072 1.00 0.27 C ATOM 0 H LEU A 13 -5.011 5.436 -1.890 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.669 4.181 -3.774 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.020 6.371 -1.754 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.286 6.107 -2.937 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.084 3.602 -2.170 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.582 3.385 0.221 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.161 3.884 -0.727 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.043 5.081 0.251 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.823 4.013 -0.461 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.415 5.745 -0.480 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.091 4.974 -1.935 1.00 0.27 H new ATOM 214 N SER A 14 -5.750 7.265 -4.491 1.00 0.29 N ATOM 215 CA SER A 14 -5.640 8.240 -5.570 1.00 0.33 C ATOM 216 C SER A 14 -4.988 7.600 -6.792 1.00 0.37 C ATOM 217 O SER A 14 -5.466 7.750 -7.919 1.00 0.42 O ATOM 218 CB SER A 14 -4.820 9.450 -5.105 1.00 0.33 C ATOM 219 OG SER A 14 -4.772 10.457 -6.103 1.00 1.05 O ATOM 0 H SER A 14 -5.269 7.534 -3.633 1.00 0.29 H new ATOM 0 HA SER A 14 -6.640 8.577 -5.843 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.257 9.859 -4.194 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.807 9.132 -4.858 1.00 0.33 H new ATOM 0 HG SER A 14 -4.244 11.216 -5.777 1.00 1.05 H new ATOM 225 N TYR A 15 -3.909 6.866 -6.545 1.00 0.37 N ATOM 226 CA TYR A 15 -3.179 6.165 -7.593 1.00 0.45 C ATOM 227 C TYR A 15 -4.085 5.166 -8.316 1.00 0.43 C ATOM 228 O TYR A 15 -3.950 4.949 -9.520 1.00 0.55 O ATOM 229 CB TYR A 15 -1.969 5.450 -6.973 1.00 0.52 C ATOM 230 CG TYR A 15 -1.070 4.737 -7.961 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.634 5.378 -9.115 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.677 3.423 -7.755 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.173 4.732 -10.031 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.128 2.768 -8.667 1.00 1.06 C ATOM 235 CZ TYR A 15 0.610 3.430 -9.751 1.00 1.03 C ATOM 236 OH TYR A 15 1.349 2.773 -10.714 1.00 1.22 O ATOM 0 H TYR A 15 -3.516 6.741 -5.612 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.832 6.888 -8.331 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.374 6.182 -6.427 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.329 4.724 -6.244 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.932 6.400 -9.299 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.006 2.903 -6.867 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.463 5.222 -10.949 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.375 1.727 -8.518 1.00 1.06 H new ATOM 0 HH TYR A 15 1.588 1.880 -10.390 1.00 1.22 H new ATOM 246 N LYS A 16 -5.017 4.573 -7.578 1.00 0.33 N ATOM 247 CA LYS A 16 -5.934 3.598 -8.148 1.00 0.33 C ATOM 248 C LYS A 16 -7.024 4.261 -8.981 1.00 0.33 C ATOM 249 O LYS A 16 -7.497 3.679 -9.950 1.00 0.42 O ATOM 250 CB LYS A 16 -6.550 2.733 -7.048 1.00 0.34 C ATOM 251 CG LYS A 16 -5.533 1.975 -6.197 1.00 0.61 C ATOM 252 CD LYS A 16 -4.828 0.853 -6.958 1.00 0.57 C ATOM 253 CE LYS A 16 -3.747 1.364 -7.902 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.817 0.290 -8.331 1.00 1.41 N ATOM 0 H LYS A 16 -5.156 4.752 -6.583 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.356 2.959 -8.816 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.149 3.368 -6.396 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.230 2.014 -7.506 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -4.787 2.676 -5.823 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.038 1.554 -5.328 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.382 0.161 -6.244 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.565 0.289 -7.530 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.216 1.808 -8.781 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.182 2.155 -7.409 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.121 0.680 -8.998 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.323 -0.094 -7.500 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.354 -0.469 -8.796 1.00 1.41 H new ATOM 268 N LEU A 17 -7.422 5.474 -8.626 1.00 0.33 N ATOM 269 CA LEU A 17 -8.410 6.191 -9.432 1.00 0.32 C ATOM 270 C LEU A 17 -7.798 6.616 -10.763 1.00 0.35 C ATOM 271 O LEU A 17 -8.499 6.745 -11.770 1.00 0.36 O ATOM 272 CB LEU A 17 -8.972 7.423 -8.705 1.00 0.35 C ATOM 273 CG LEU A 17 -10.089 7.162 -7.685 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.648 5.755 -7.813 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.593 7.423 -6.278 1.00 1.15 C ATOM 0 H LEU A 17 -7.087 5.977 -7.804 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.238 5.504 -9.608 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.150 7.921 -8.191 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.349 8.119 -9.454 1.00 0.35 H new ATOM 0 HG LEU A 17 -10.904 7.854 -7.899 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.436 5.608 -7.075 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.058 5.616 -8.814 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.852 5.030 -7.643 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.398 7.233 -5.568 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.753 6.763 -6.060 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.271 8.461 -6.192 1.00 1.15 H new ATOM 287 N SER A 18 -6.485 6.815 -10.760 1.00 0.41 N ATOM 288 CA SER A 18 -5.757 7.249 -11.931 1.00 0.48 C ATOM 289 C SER A 18 -5.913 6.280 -13.104 1.00 0.51 C ATOM 290 O SER A 18 -6.148 6.704 -14.235 1.00 0.58 O ATOM 291 CB SER A 18 -4.294 7.395 -11.549 1.00 0.57 C ATOM 292 OG SER A 18 -4.155 8.197 -10.391 1.00 0.94 O ATOM 0 H SER A 18 -5.899 6.677 -9.937 1.00 0.41 H new ATOM 0 HA SER A 18 -6.164 8.203 -12.266 1.00 0.48 H new ATOM 0 HB2 SER A 18 -3.860 6.411 -11.370 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.741 7.842 -12.375 1.00 0.57 H new ATOM 0 HG SER A 18 -3.206 8.277 -10.161 1.00 0.94 H new ATOM 298 N GLN A 19 -5.824 4.979 -12.826 1.00 0.52 N ATOM 299 CA GLN A 19 -5.907 3.958 -13.874 1.00 0.57 C ATOM 300 C GLN A 19 -7.328 3.817 -14.407 1.00 0.51 C ATOM 301 O GLN A 19 -7.592 3.042 -15.329 1.00 0.59 O ATOM 302 CB GLN A 19 -5.410 2.613 -13.351 1.00 0.68 C ATOM 303 CG GLN A 19 -6.042 2.219 -12.037 1.00 0.84 C ATOM 304 CD GLN A 19 -5.609 0.854 -11.552 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.606 0.719 -10.856 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.375 -0.164 -11.899 1.00 1.19 N ATOM 0 H GLN A 19 -5.695 4.606 -11.885 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.268 4.280 -14.696 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.618 1.842 -14.093 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.328 2.655 -13.229 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -5.788 2.963 -11.282 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.127 2.232 -12.145 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.200 -0.007 -12.479 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.142 -1.107 -11.587 1.00 1.19 H new ATOM 315 N LYS A 20 -8.236 4.569 -13.820 1.00 0.45 N ATOM 316 CA LYS A 20 -9.635 4.533 -14.206 1.00 0.49 C ATOM 317 C LYS A 20 -9.986 5.825 -14.905 1.00 0.48 C ATOM 318 O LYS A 20 -10.906 5.896 -15.717 1.00 0.53 O ATOM 319 CB LYS A 20 -10.505 4.360 -12.966 1.00 0.57 C ATOM 320 CG LYS A 20 -9.873 3.477 -11.919 1.00 0.49 C ATOM 321 CD LYS A 20 -9.683 2.060 -12.422 1.00 1.20 C ATOM 322 CE LYS A 20 -10.990 1.485 -12.947 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.839 0.078 -13.404 1.00 2.20 N ATOM 0 H LYS A 20 -8.028 5.221 -13.064 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.811 3.695 -14.880 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.708 5.339 -12.532 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.465 3.936 -13.259 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -8.908 3.892 -11.627 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.499 3.466 -11.026 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.934 2.049 -13.213 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.304 1.432 -11.615 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.747 1.532 -12.164 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.349 2.098 -13.774 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.753 -0.274 -13.753 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.136 0.035 -14.169 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.522 -0.513 -12.609 1.00 2.20 H new ATOM 337 N GLY A 21 -9.230 6.843 -14.552 1.00 0.45 N ATOM 338 CA GLY A 21 -9.401 8.149 -15.141 1.00 0.49 C ATOM 339 C GLY A 21 -10.166 9.065 -14.221 1.00 0.47 C ATOM 340 O GLY A 21 -10.764 10.048 -14.652 1.00 0.53 O ATOM 0 H GLY A 21 -8.487 6.788 -13.855 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.425 8.582 -15.361 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.930 8.057 -16.089 1.00 0.49 H new ATOM 344 N TYR A 22 -10.145 8.731 -12.942 1.00 0.40 N ATOM 345 CA TYR A 22 -10.851 9.503 -11.941 1.00 0.37 C ATOM 346 C TYR A 22 -9.880 10.159 -10.984 1.00 0.36 C ATOM 347 O TYR A 22 -8.700 9.813 -10.944 1.00 0.38 O ATOM 348 CB TYR A 22 -11.816 8.617 -11.160 1.00 0.34 C ATOM 349 CG TYR A 22 -12.947 8.076 -12.004 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.800 6.895 -12.720 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.158 8.748 -12.091 1.00 0.50 C ATOM 352 CE1 TYR A 22 -13.827 6.399 -13.497 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.190 8.258 -12.866 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.020 7.084 -13.566 1.00 0.62 C ATOM 355 OH TYR A 22 -16.048 6.593 -14.336 1.00 0.76 O ATOM 0 H TYR A 22 -9.642 7.924 -12.573 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.417 10.278 -12.457 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.263 7.783 -10.727 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.232 9.188 -10.330 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -11.866 6.356 -12.668 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.295 9.669 -11.544 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.696 5.479 -14.048 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.127 8.793 -12.923 1.00 0.62 H new ATOM 0 HH TYR A 22 -16.819 7.195 -14.275 1.00 0.76 H new ATOM 365 N SER A 23 -10.380 11.111 -10.225 1.00 0.37 N ATOM 366 CA SER A 23 -9.574 11.791 -9.239 1.00 0.39 C ATOM 367 C SER A 23 -10.034 11.411 -7.845 1.00 0.35 C ATOM 368 O SER A 23 -11.231 11.278 -7.595 1.00 0.34 O ATOM 369 CB SER A 23 -9.704 13.292 -9.414 1.00 0.45 C ATOM 370 OG SER A 23 -8.607 13.983 -8.845 1.00 0.52 O ATOM 0 H SER A 23 -11.347 11.431 -10.274 1.00 0.37 H new ATOM 0 HA SER A 23 -8.533 11.497 -9.372 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.773 13.530 -10.475 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.629 13.634 -8.950 1.00 0.45 H new ATOM 0 HG SER A 23 -8.910 14.489 -8.062 1.00 0.52 H new ATOM 376 N TRP A 24 -9.086 11.246 -6.947 1.00 0.37 N ATOM 377 CA TRP A 24 -9.399 11.007 -5.551 1.00 0.36 C ATOM 378 C TRP A 24 -10.073 12.233 -4.951 1.00 0.35 C ATOM 379 O TRP A 24 -11.100 12.128 -4.284 1.00 0.34 O ATOM 380 CB TRP A 24 -8.127 10.662 -4.764 1.00 0.45 C ATOM 381 CG TRP A 24 -8.152 11.160 -3.348 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.817 10.612 -2.290 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.492 12.329 -2.847 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.623 11.379 -1.167 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.808 12.434 -1.482 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.663 13.298 -3.423 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -7.329 13.467 -0.685 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -6.187 14.323 -2.629 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.521 14.401 -1.273 1.00 3.13 C ATOM 0 H TRP A 24 -8.088 11.273 -7.158 1.00 0.37 H new ATOM 0 HA TRP A 24 -10.082 10.160 -5.488 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.993 9.580 -4.759 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.264 11.088 -5.276 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.408 9.709 -2.330 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -9.022 11.193 -0.247 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.400 13.245 -4.469 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.586 13.530 0.362 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.546 15.077 -3.062 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -6.133 15.215 -0.678 1.00 3.13 H new ATOM 400 N SER A 25 -9.502 13.397 -5.227 1.00 0.39 N ATOM 401 CA SER A 25 -9.924 14.634 -4.594 1.00 0.44 C ATOM 402 C SER A 25 -11.355 15.007 -4.974 1.00 0.43 C ATOM 403 O SER A 25 -12.106 15.519 -4.139 1.00 0.49 O ATOM 404 CB SER A 25 -8.959 15.752 -4.976 1.00 0.53 C ATOM 405 OG SER A 25 -8.696 15.736 -6.369 1.00 1.37 O ATOM 0 H SER A 25 -8.737 13.508 -5.893 1.00 0.39 H new ATOM 0 HA SER A 25 -9.908 14.489 -3.514 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.381 16.716 -4.692 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.026 15.638 -4.424 1.00 0.53 H new ATOM 0 HG SER A 25 -8.076 16.461 -6.593 1.00 1.37 H new ATOM 411 N GLN A 26 -11.733 14.736 -6.223 1.00 0.40 N ATOM 412 CA GLN A 26 -13.085 15.026 -6.693 1.00 0.42 C ATOM 413 C GLN A 26 -14.126 14.278 -5.873 1.00 0.38 C ATOM 414 O GLN A 26 -15.248 14.749 -5.689 1.00 0.41 O ATOM 415 CB GLN A 26 -13.249 14.646 -8.162 1.00 0.47 C ATOM 416 CG GLN A 26 -12.505 15.554 -9.116 1.00 0.59 C ATOM 417 CD GLN A 26 -12.755 15.191 -10.559 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.050 14.373 -11.148 1.00 1.11 O ATOM 419 NE2 GLN A 26 -13.761 15.809 -11.134 1.00 1.10 N ATOM 0 H GLN A 26 -11.123 14.317 -6.925 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.238 16.099 -6.577 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.901 13.623 -8.304 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.309 14.660 -8.415 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.810 16.586 -8.945 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.436 15.499 -8.909 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -14.317 16.480 -10.604 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -13.986 15.618 -12.110 1.00 1.10 H new ATOM 428 N PHE A 27 -13.746 13.110 -5.385 1.00 0.35 N ATOM 429 CA PHE A 27 -14.666 12.245 -4.675 1.00 0.38 C ATOM 430 C PHE A 27 -14.275 12.143 -3.209 1.00 0.43 C ATOM 431 O PHE A 27 -14.774 11.284 -2.479 1.00 0.67 O ATOM 432 CB PHE A 27 -14.662 10.861 -5.321 1.00 0.43 C ATOM 433 CG PHE A 27 -14.883 10.904 -6.806 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.888 11.688 -7.344 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.094 10.152 -7.663 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.103 11.721 -8.707 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.307 10.178 -9.025 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.270 11.002 -9.554 1.00 1.28 C ATOM 0 H PHE A 27 -12.800 12.739 -5.469 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.669 12.667 -4.732 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.709 10.373 -5.115 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.439 10.250 -4.862 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.511 12.281 -6.690 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.303 9.538 -7.259 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.916 12.304 -9.113 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.716 9.550 -9.676 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.379 11.090 -10.625 1.00 1.28 H new ATOM 448 N SER A 28 -13.392 13.030 -2.775 1.00 0.39 N ATOM 449 CA SER A 28 -12.892 12.973 -1.417 1.00 0.42 C ATOM 450 C SER A 28 -13.650 13.919 -0.505 1.00 0.58 C ATOM 451 O SER A 28 -14.587 14.602 -0.917 1.00 1.01 O ATOM 452 CB SER A 28 -11.394 13.274 -1.351 1.00 0.62 C ATOM 453 OG SER A 28 -11.122 14.636 -1.635 1.00 1.81 O ATOM 0 H SER A 28 -13.012 13.790 -3.340 1.00 0.39 H new ATOM 0 HA SER A 28 -13.052 11.953 -1.069 1.00 0.42 H new ATOM 0 HB2 SER A 28 -11.016 13.026 -0.359 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.863 12.641 -2.062 1.00 0.62 H new ATOM 0 HG SER A 28 -11.622 14.910 -2.432 1.00 1.81 H new ATOM 459 N ASP A 29 -13.225 13.917 0.739 1.00 0.63 N ATOM 460 CA ASP A 29 -13.828 14.697 1.805 1.00 0.84 C ATOM 461 C ASP A 29 -12.852 14.724 2.968 1.00 0.88 C ATOM 462 O ASP A 29 -12.814 15.665 3.761 1.00 1.03 O ATOM 463 CB ASP A 29 -15.149 14.045 2.217 1.00 1.04 C ATOM 464 CG ASP A 29 -15.740 14.605 3.494 1.00 1.69 C ATOM 465 OD1 ASP A 29 -15.323 14.165 4.583 1.00 2.31 O ATOM 466 OD2 ASP A 29 -16.601 15.513 3.413 1.00 1.85 O ATOM 0 H ASP A 29 -12.429 13.359 1.049 1.00 0.63 H new ATOM 0 HA ASP A 29 -14.038 15.716 1.480 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -15.871 14.169 1.410 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.990 12.974 2.341 1.00 1.04 H new ATOM 471 N VAL A 30 -12.031 13.681 3.001 1.00 0.80 N ATOM 472 CA VAL A 30 -11.041 13.462 4.043 1.00 0.82 C ATOM 473 C VAL A 30 -10.024 14.606 4.130 1.00 0.82 C ATOM 474 O VAL A 30 -10.129 15.465 4.999 1.00 0.92 O ATOM 475 CB VAL A 30 -10.320 12.119 3.760 1.00 0.81 C ATOM 476 CG1 VAL A 30 -11.242 10.958 4.070 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.884 12.030 2.299 1.00 0.76 C ATOM 0 H VAL A 30 -12.037 12.951 2.289 1.00 0.80 H new ATOM 0 HA VAL A 30 -11.552 13.427 5.005 1.00 0.82 H new ATOM 0 HB VAL A 30 -9.437 12.073 4.398 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -10.726 10.019 3.868 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -11.532 10.994 5.120 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -12.133 11.024 3.445 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -9.381 11.079 2.127 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.759 12.100 1.653 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -9.200 12.848 2.073 1.00 0.76 H new ATOM 487 N GLU A 31 -9.095 14.658 3.185 1.00 0.78 N ATOM 488 CA GLU A 31 -8.084 15.703 3.156 1.00 0.83 C ATOM 489 C GLU A 31 -8.692 16.947 2.543 1.00 0.88 C ATOM 490 O GLU A 31 -8.088 18.020 2.514 1.00 0.98 O ATOM 491 CB GLU A 31 -6.873 15.255 2.334 1.00 0.93 C ATOM 492 CG GLU A 31 -6.403 13.840 2.638 1.00 1.05 C ATOM 493 CD GLU A 31 -6.117 13.616 4.106 1.00 2.05 C ATOM 494 OE1 GLU A 31 -5.088 14.131 4.594 1.00 2.46 O ATOM 495 OE2 GLU A 31 -6.922 12.930 4.771 1.00 2.74 O ATOM 0 H GLU A 31 -9.022 13.983 2.424 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.747 15.912 4.171 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -7.121 15.324 1.275 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -6.050 15.946 2.514 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -7.164 13.132 2.309 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.502 13.630 2.062 1.00 1.05 H new ATOM 502 N GLU A 32 -9.900 16.766 2.036 1.00 0.87 N ATOM 503 CA GLU A 32 -10.664 17.841 1.450 1.00 0.98 C ATOM 504 C GLU A 32 -11.043 18.865 2.509 1.00 1.09 C ATOM 505 O GLU A 32 -10.918 20.071 2.300 1.00 1.24 O ATOM 506 CB GLU A 32 -11.924 17.281 0.786 1.00 0.98 C ATOM 507 CG GLU A 32 -12.892 18.363 0.333 1.00 1.12 C ATOM 508 CD GLU A 32 -14.005 17.844 -0.546 1.00 1.20 C ATOM 509 OE1 GLU A 32 -13.768 17.646 -1.756 1.00 1.45 O ATOM 510 OE2 GLU A 32 -15.113 17.605 -0.026 1.00 1.17 O ATOM 0 H GLU A 32 -10.375 15.864 2.022 1.00 0.87 H new ATOM 0 HA GLU A 32 -10.051 18.335 0.696 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -11.636 16.677 -0.074 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -12.432 16.618 1.486 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -13.326 18.842 1.211 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -12.339 19.131 -0.209 1.00 1.12 H new ATOM 630 N THR A 41 5.702 13.172 5.299 1.00 1.12 N ATOM 631 CA THR A 41 6.534 13.342 6.479 1.00 0.86 C ATOM 632 C THR A 41 7.574 12.211 6.580 1.00 0.75 C ATOM 633 O THR A 41 8.749 12.410 6.268 1.00 0.85 O ATOM 634 CB THR A 41 5.659 13.397 7.757 1.00 0.80 C ATOM 635 OG1 THR A 41 6.460 13.253 8.932 1.00 0.95 O ATOM 636 CG2 THR A 41 4.569 12.333 7.742 1.00 0.91 C ATOM 0 HA THR A 41 7.069 14.287 6.388 1.00 0.86 H new ATOM 0 HB THR A 41 5.179 14.376 7.772 1.00 0.80 H new ATOM 0 HG1 THR A 41 5.887 13.293 9.726 1.00 0.95 H new ATOM 0 HG21 THR A 41 3.978 12.405 8.655 1.00 0.91 H new ATOM 0 HG22 THR A 41 3.923 12.487 6.878 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.026 11.345 7.682 1.00 0.91 H new ATOM 644 N GLU A 42 7.140 11.033 7.010 1.00 0.69 N ATOM 645 CA GLU A 42 7.938 9.817 6.900 1.00 0.66 C ATOM 646 C GLU A 42 7.532 9.080 5.640 1.00 0.54 C ATOM 647 O GLU A 42 8.296 8.332 5.036 1.00 0.56 O ATOM 648 CB GLU A 42 7.703 8.921 8.112 1.00 0.74 C ATOM 649 CG GLU A 42 6.312 8.304 8.172 1.00 0.65 C ATOM 650 CD GLU A 42 6.088 7.501 9.435 1.00 1.20 C ATOM 651 OE1 GLU A 42 6.768 6.472 9.625 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.241 7.907 10.251 1.00 1.17 O ATOM 0 H GLU A 42 6.228 10.893 7.444 1.00 0.69 H new ATOM 0 HA GLU A 42 8.995 10.079 6.858 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.443 8.121 8.107 1.00 0.74 H new ATOM 0 HB3 GLU A 42 7.869 9.504 9.018 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.564 9.095 8.111 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.166 7.660 7.305 1.00 0.65 H new ATOM 659 N SER A 43 6.294 9.342 5.283 1.00 0.48 N ATOM 660 CA SER A 43 5.553 8.628 4.261 1.00 0.43 C ATOM 661 C SER A 43 6.227 8.592 2.903 1.00 0.43 C ATOM 662 O SER A 43 6.169 7.570 2.240 1.00 0.49 O ATOM 663 CB SER A 43 4.207 9.301 4.122 1.00 0.50 C ATOM 664 OG SER A 43 4.349 10.684 4.376 1.00 1.25 O ATOM 0 H SER A 43 5.751 10.090 5.714 1.00 0.48 H new ATOM 0 HA SER A 43 5.479 7.589 4.582 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.810 9.142 3.119 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.494 8.862 4.820 1.00 0.50 H new ATOM 0 HG SER A 43 3.657 10.974 5.006 1.00 1.25 H new ATOM 670 N GLU A 44 6.840 9.701 2.503 1.00 0.46 N ATOM 671 CA GLU A 44 7.340 9.884 1.131 1.00 0.52 C ATOM 672 C GLU A 44 7.977 8.614 0.557 1.00 0.51 C ATOM 673 O GLU A 44 7.580 8.143 -0.507 1.00 0.58 O ATOM 674 CB GLU A 44 8.342 11.037 1.090 1.00 0.61 C ATOM 675 CG GLU A 44 8.797 11.403 -0.312 1.00 0.72 C ATOM 676 CD GLU A 44 7.684 12.003 -1.144 1.00 1.17 C ATOM 677 OE1 GLU A 44 6.933 11.240 -1.786 1.00 1.91 O ATOM 678 OE2 GLU A 44 7.550 13.245 -1.152 1.00 1.29 O ATOM 0 H GLU A 44 7.008 10.501 3.114 1.00 0.46 H new ATOM 0 HA GLU A 44 6.478 10.118 0.506 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.893 11.914 1.557 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.214 10.770 1.687 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.622 12.112 -0.249 1.00 0.72 H new ATOM 0 HG3 GLU A 44 9.179 10.512 -0.811 1.00 0.72 H new ATOM 685 N ALA A 45 8.937 8.046 1.270 1.00 0.48 N ATOM 686 CA ALA A 45 9.606 6.838 0.803 1.00 0.48 C ATOM 687 C ALA A 45 8.738 5.597 0.990 1.00 0.41 C ATOM 688 O ALA A 45 8.750 4.699 0.148 1.00 0.41 O ATOM 689 CB ALA A 45 10.939 6.665 1.512 1.00 0.52 C ATOM 0 H ALA A 45 9.270 8.397 2.168 1.00 0.48 H new ATOM 0 HA ALA A 45 9.783 6.954 -0.266 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.427 5.759 1.153 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.575 7.526 1.306 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.772 6.586 2.586 1.00 0.52 H new ATOM 695 N VAL A 46 7.975 5.546 2.076 1.00 0.37 N ATOM 696 CA VAL A 46 7.165 4.367 2.372 1.00 0.34 C ATOM 697 C VAL A 46 6.003 4.239 1.380 1.00 0.34 C ATOM 698 O VAL A 46 5.754 3.157 0.858 1.00 0.39 O ATOM 699 CB VAL A 46 6.647 4.347 3.843 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.119 5.556 4.616 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.135 4.243 3.934 1.00 1.13 C ATOM 0 H VAL A 46 7.899 6.298 2.761 1.00 0.37 H new ATOM 0 HA VAL A 46 7.817 3.501 2.258 1.00 0.34 H new ATOM 0 HB VAL A 46 7.071 3.448 4.291 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.738 5.507 5.636 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.209 5.573 4.636 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.751 6.462 4.135 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.833 4.233 4.981 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.681 5.098 3.433 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.804 3.323 3.453 1.00 1.13 H new ATOM 711 N LYS A 47 5.313 5.348 1.102 1.00 0.34 N ATOM 712 CA LYS A 47 4.210 5.345 0.143 1.00 0.36 C ATOM 713 C LYS A 47 4.744 5.009 -1.241 1.00 0.39 C ATOM 714 O LYS A 47 4.140 4.240 -1.991 1.00 0.43 O ATOM 715 CB LYS A 47 3.498 6.710 0.117 1.00 0.38 C ATOM 716 CG LYS A 47 4.451 7.878 -0.083 1.00 0.49 C ATOM 717 CD LYS A 47 3.744 9.184 -0.383 1.00 0.47 C ATOM 718 CE LYS A 47 2.890 9.641 0.776 1.00 0.47 C ATOM 719 NZ LYS A 47 2.378 11.023 0.565 1.00 0.67 N ATOM 0 H LYS A 47 5.499 6.256 1.527 1.00 0.34 H new ATOM 0 HA LYS A 47 3.484 4.592 0.448 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.758 6.712 -0.684 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.956 6.848 1.052 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.059 8.000 0.814 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.133 7.646 -0.901 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.482 9.952 -0.615 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.120 9.064 -1.269 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.051 8.957 0.903 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.474 9.605 1.696 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.447 11.558 1.454 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.945 11.495 -0.168 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.384 10.982 0.262 1.00 0.67 H new ATOM 733 N GLN A 48 5.897 5.585 -1.561 1.00 0.40 N ATOM 734 CA GLN A 48 6.599 5.270 -2.798 1.00 0.46 C ATOM 735 C GLN A 48 6.897 3.782 -2.908 1.00 0.45 C ATOM 736 O GLN A 48 6.868 3.227 -4.000 1.00 0.50 O ATOM 737 CB GLN A 48 7.897 6.069 -2.905 1.00 0.52 C ATOM 738 CG GLN A 48 7.743 7.401 -3.613 1.00 0.58 C ATOM 739 CD GLN A 48 7.510 7.281 -5.112 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.917 6.186 -5.561 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 7.884 8.175 -5.869 1.00 0.63 N flip ATOM 0 H GLN A 48 6.367 6.276 -0.977 1.00 0.40 H new ATOM 0 HA GLN A 48 5.942 5.548 -3.622 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.287 6.245 -1.903 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.638 5.470 -3.435 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.909 7.943 -3.168 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.639 7.998 -3.441 1.00 0.58 H new ATOM 0 HE21 GLN A 48 8.338 9.007 -5.491 1.00 0.63 H new ATOM 0 HE22 GLN A 48 7.740 8.085 -6.875 1.00 0.63 H new ATOM 750 N ALA A 49 7.180 3.143 -1.783 1.00 0.42 N ATOM 751 CA ALA A 49 7.457 1.711 -1.771 1.00 0.41 C ATOM 752 C ALA A 49 6.160 0.916 -1.852 1.00 0.39 C ATOM 753 O ALA A 49 6.102 -0.151 -2.465 1.00 0.42 O ATOM 754 CB ALA A 49 8.235 1.329 -0.522 1.00 0.42 C ATOM 0 H ALA A 49 7.224 3.590 -0.867 1.00 0.42 H new ATOM 0 HA ALA A 49 8.065 1.472 -2.644 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.433 0.257 -0.530 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.180 1.872 -0.502 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.651 1.584 0.362 1.00 0.42 H new ATOM 760 N LEU A 50 5.116 1.464 -1.245 1.00 0.38 N ATOM 761 CA LEU A 50 3.819 0.807 -1.176 1.00 0.40 C ATOM 762 C LEU A 50 3.198 0.609 -2.551 1.00 0.41 C ATOM 763 O LEU A 50 2.530 -0.394 -2.793 1.00 0.43 O ATOM 764 CB LEU A 50 2.858 1.615 -0.304 1.00 0.45 C ATOM 765 CG LEU A 50 3.168 1.627 1.185 1.00 0.69 C ATOM 766 CD1 LEU A 50 1.955 2.067 1.980 1.00 1.33 C ATOM 767 CD2 LEU A 50 3.627 0.264 1.629 1.00 1.20 C ATOM 0 H LEU A 50 5.145 2.375 -0.787 1.00 0.38 H new ATOM 0 HA LEU A 50 3.987 -0.176 -0.736 1.00 0.40 H new ATOM 0 HB2 LEU A 50 2.850 2.644 -0.663 1.00 0.45 H new ATOM 0 HB3 LEU A 50 1.851 1.221 -0.443 1.00 0.45 H new ATOM 0 HG LEU A 50 3.970 2.342 1.368 1.00 0.69 H new ATOM 0 HD11 LEU A 50 2.198 2.069 3.043 1.00 1.33 H new ATOM 0 HD12 LEU A 50 1.663 3.071 1.673 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.131 1.378 1.797 1.00 1.33 H new ATOM 0 HD21 LEU A 50 3.846 0.284 2.697 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.842 -0.466 1.433 1.00 1.20 H new ATOM 0 HD23 LEU A 50 4.526 -0.014 1.079 1.00 1.20 H new ATOM 779 N ARG A 51 3.438 1.537 -3.464 1.00 0.44 N ATOM 780 CA ARG A 51 2.781 1.485 -4.760 1.00 0.50 C ATOM 781 C ARG A 51 3.492 0.477 -5.638 1.00 0.52 C ATOM 782 O ARG A 51 2.894 -0.158 -6.503 1.00 0.59 O ATOM 783 CB ARG A 51 2.777 2.866 -5.408 1.00 0.53 C ATOM 784 CG ARG A 51 4.110 3.581 -5.300 1.00 0.52 C ATOM 785 CD ARG A 51 4.129 4.844 -6.126 1.00 0.73 C ATOM 786 NE ARG A 51 3.083 5.786 -5.727 1.00 1.21 N ATOM 787 CZ ARG A 51 2.416 6.571 -6.573 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.665 6.516 -7.877 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.502 7.413 -6.114 1.00 2.17 N ATOM 0 H ARG A 51 4.073 2.324 -3.335 1.00 0.44 H new ATOM 0 HA ARG A 51 1.744 1.174 -4.632 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.510 2.766 -6.460 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.005 3.477 -4.940 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.310 3.824 -4.257 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.908 2.917 -5.631 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.103 5.324 -6.029 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.003 4.589 -7.178 1.00 0.73 H new ATOM 0 HE ARG A 51 2.849 5.846 -4.736 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.369 5.871 -8.235 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.152 7.119 -8.520 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.309 7.460 -5.114 1.00 2.17 H new ATOM 0 HH22 ARG A 51 0.991 8.014 -6.761 1.00 2.17 H new ATOM 803 N GLU A 52 4.775 0.336 -5.372 1.00 0.49 N ATOM 804 CA GLU A 52 5.624 -0.626 -6.045 1.00 0.54 C ATOM 805 C GLU A 52 5.269 -2.045 -5.621 1.00 0.53 C ATOM 806 O GLU A 52 5.194 -2.957 -6.450 1.00 0.58 O ATOM 807 CB GLU A 52 7.065 -0.312 -5.689 1.00 0.59 C ATOM 808 CG GLU A 52 7.423 1.131 -5.977 1.00 0.63 C ATOM 809 CD GLU A 52 7.694 1.366 -7.448 1.00 0.87 C ATOM 810 OE1 GLU A 52 8.741 0.905 -7.949 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.866 2.014 -8.112 1.00 1.07 O ATOM 0 H GLU A 52 5.264 0.894 -4.672 1.00 0.49 H new ATOM 0 HA GLU A 52 5.480 -0.559 -7.123 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.231 -0.522 -4.632 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.728 -0.969 -6.252 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.609 1.778 -5.650 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.303 1.409 -5.397 1.00 0.63 H new ATOM 818 N ALA A 53 5.064 -2.226 -4.323 1.00 0.49 N ATOM 819 CA ALA A 53 4.654 -3.513 -3.783 1.00 0.48 C ATOM 820 C ALA A 53 3.220 -3.827 -4.183 1.00 0.49 C ATOM 821 O ALA A 53 2.909 -4.949 -4.587 1.00 0.53 O ATOM 822 CB ALA A 53 4.799 -3.521 -2.269 1.00 0.45 C ATOM 0 H ALA A 53 5.176 -1.493 -3.623 1.00 0.49 H new ATOM 0 HA ALA A 53 5.302 -4.285 -4.197 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.489 -4.490 -1.879 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.840 -3.339 -2.002 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.172 -2.739 -1.839 1.00 0.45 H new ATOM 828 N GLY A 54 2.355 -2.821 -4.079 1.00 0.49 N ATOM 829 CA GLY A 54 0.967 -2.984 -4.470 1.00 0.53 C ATOM 830 C GLY A 54 0.834 -3.343 -5.930 1.00 0.60 C ATOM 831 O GLY A 54 0.010 -4.174 -6.297 1.00 0.70 O ATOM 0 H GLY A 54 2.593 -1.893 -3.729 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.507 -3.762 -3.861 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.423 -2.061 -4.272 1.00 0.53 H new ATOM 835 N ASP A 55 1.671 -2.724 -6.756 1.00 0.61 N ATOM 836 CA ASP A 55 1.695 -2.992 -8.191 1.00 0.69 C ATOM 837 C ASP A 55 1.859 -4.487 -8.452 1.00 0.70 C ATOM 838 O ASP A 55 1.171 -5.064 -9.298 1.00 0.79 O ATOM 839 CB ASP A 55 2.842 -2.213 -8.840 1.00 0.73 C ATOM 840 CG ASP A 55 2.904 -2.380 -10.343 1.00 0.85 C ATOM 841 OD1 ASP A 55 3.473 -3.385 -10.812 1.00 0.82 O ATOM 842 OD2 ASP A 55 2.404 -1.493 -11.063 1.00 1.04 O ATOM 0 H ASP A 55 2.349 -2.025 -6.452 1.00 0.61 H new ATOM 0 HA ASP A 55 0.750 -2.669 -8.627 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.733 -1.155 -8.603 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.786 -2.541 -8.406 1.00 0.73 H new ATOM 847 N GLU A 56 2.759 -5.111 -7.702 1.00 0.66 N ATOM 848 CA GLU A 56 2.978 -6.543 -7.812 1.00 0.74 C ATOM 849 C GLU A 56 1.797 -7.324 -7.266 1.00 0.77 C ATOM 850 O GLU A 56 1.412 -8.348 -7.817 1.00 0.88 O ATOM 851 CB GLU A 56 4.239 -6.966 -7.064 1.00 0.79 C ATOM 852 CG GLU A 56 5.529 -6.577 -7.756 1.00 1.24 C ATOM 853 CD GLU A 56 6.727 -7.228 -7.105 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.834 -8.470 -7.144 1.00 1.43 O ATOM 855 OE2 GLU A 56 7.579 -6.496 -6.557 1.00 2.29 O ATOM 0 H GLU A 56 3.348 -4.645 -7.012 1.00 0.66 H new ATOM 0 HA GLU A 56 3.096 -6.765 -8.873 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.225 -6.521 -6.069 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.223 -8.048 -6.930 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.482 -6.868 -8.805 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.644 -5.493 -7.730 1.00 1.24 H new ATOM 862 N PHE A 57 1.222 -6.836 -6.187 1.00 0.71 N ATOM 863 CA PHE A 57 0.157 -7.557 -5.510 1.00 0.75 C ATOM 864 C PHE A 57 -1.076 -7.664 -6.402 1.00 0.78 C ATOM 865 O PHE A 57 -1.792 -8.665 -6.368 1.00 0.91 O ATOM 866 CB PHE A 57 -0.197 -6.885 -4.183 1.00 0.76 C ATOM 867 CG PHE A 57 -0.761 -7.854 -3.185 1.00 1.09 C ATOM 868 CD1 PHE A 57 0.071 -8.615 -2.385 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.132 -7.985 -3.034 1.00 1.71 C ATOM 870 CE1 PHE A 57 -0.452 -9.491 -1.455 1.00 1.79 C ATOM 871 CE2 PHE A 57 -2.661 -8.858 -2.105 1.00 2.29 C ATOM 872 CZ PHE A 57 -1.788 -9.683 -1.365 1.00 2.20 C ATOM 0 H PHE A 57 1.471 -5.945 -5.758 1.00 0.71 H new ATOM 0 HA PHE A 57 0.514 -8.565 -5.297 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.695 -6.416 -3.767 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.921 -6.090 -4.363 1.00 0.76 H new ATOM 0 HD1 PHE A 57 1.142 -8.523 -2.489 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.795 -7.397 -3.651 1.00 1.71 H new ATOM 0 HE1 PHE A 57 0.212 -10.028 -0.793 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -3.728 -8.909 -1.947 1.00 2.29 H new ATOM 0 HZ PHE A 57 -2.184 -10.463 -0.731 1.00 2.20 H new ATOM 882 N GLU A 58 -1.296 -6.644 -7.220 1.00 0.73 N ATOM 883 CA GLU A 58 -2.433 -6.620 -8.132 1.00 0.82 C ATOM 884 C GLU A 58 -2.309 -7.716 -9.178 1.00 0.82 C ATOM 885 O GLU A 58 -3.259 -8.452 -9.434 1.00 0.89 O ATOM 886 CB GLU A 58 -2.528 -5.267 -8.828 1.00 0.86 C ATOM 887 CG GLU A 58 -2.558 -4.098 -7.870 1.00 0.91 C ATOM 888 CD GLU A 58 -2.532 -2.770 -8.588 1.00 0.93 C ATOM 889 OE1 GLU A 58 -1.431 -2.278 -8.909 1.00 1.24 O ATOM 890 OE2 GLU A 58 -3.618 -2.205 -8.837 1.00 1.30 O ATOM 0 H GLU A 58 -0.699 -5.818 -7.271 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.336 -6.790 -7.546 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.679 -5.153 -9.501 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.428 -5.246 -9.443 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.455 -4.158 -7.254 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.704 -4.161 -7.196 1.00 0.91 H new ATOM 897 N LEU A 59 -1.128 -7.827 -9.776 1.00 0.81 N ATOM 898 CA LEU A 59 -0.894 -8.832 -10.808 1.00 0.87 C ATOM 899 C LEU A 59 -0.907 -10.232 -10.207 1.00 0.85 C ATOM 900 O LEU A 59 -1.310 -11.194 -10.859 1.00 0.96 O ATOM 901 CB LEU A 59 0.424 -8.558 -11.554 1.00 0.96 C ATOM 902 CG LEU A 59 1.706 -8.600 -10.716 1.00 1.06 C ATOM 903 CD1 LEU A 59 2.259 -10.013 -10.613 1.00 1.54 C ATOM 904 CD2 LEU A 59 2.748 -7.669 -11.300 1.00 1.46 C ATOM 0 H LEU A 59 -0.322 -7.238 -9.566 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.704 -8.771 -11.535 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.518 -9.287 -12.359 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.354 -7.576 -12.021 1.00 0.96 H new ATOM 0 HG LEU A 59 1.456 -8.266 -9.709 1.00 1.06 H new ATOM 0 HD11 LEU A 59 3.168 -10.005 -10.012 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.519 -10.660 -10.143 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.487 -10.388 -11.611 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.653 -7.710 -10.694 1.00 1.46 H new ATOM 0 HD22 LEU A 59 2.980 -7.976 -12.320 1.00 1.46 H new ATOM 0 HD23 LEU A 59 2.362 -6.650 -11.307 1.00 1.46 H new ATOM 916 N ARG A 60 -0.481 -10.335 -8.954 1.00 0.83 N ATOM 917 CA ARG A 60 -0.476 -11.612 -8.253 1.00 0.90 C ATOM 918 C ARG A 60 -1.904 -12.068 -7.981 1.00 0.98 C ATOM 919 O ARG A 60 -2.220 -13.257 -8.022 1.00 1.15 O ATOM 920 CB ARG A 60 0.283 -11.493 -6.930 1.00 1.03 C ATOM 921 CG ARG A 60 1.767 -11.219 -7.087 1.00 1.00 C ATOM 922 CD ARG A 60 2.426 -10.917 -5.747 1.00 1.07 C ATOM 923 NE ARG A 60 3.807 -10.459 -5.919 1.00 1.41 N ATOM 924 CZ ARG A 60 4.845 -10.911 -5.217 1.00 1.94 C ATOM 925 NH1 ARG A 60 4.690 -11.913 -4.365 1.00 2.43 N ATOM 926 NH2 ARG A 60 6.047 -10.377 -5.393 1.00 2.58 N ATOM 0 H ARG A 60 -0.135 -9.550 -8.403 1.00 0.83 H new ATOM 0 HA ARG A 60 0.023 -12.347 -8.884 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.162 -10.693 -6.339 1.00 1.03 H new ATOM 0 HB3 ARG A 60 0.153 -12.416 -6.365 1.00 1.03 H new ATOM 0 HG2 ARG A 60 2.251 -12.082 -7.545 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.913 -10.376 -7.763 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.851 -10.154 -5.221 1.00 1.07 H new ATOM 0 HD3 ARG A 60 2.413 -11.811 -5.124 1.00 1.07 H new ATOM 0 HE ARG A 60 3.986 -9.745 -6.625 1.00 1.41 H new ATOM 0 HH11 ARG A 60 3.773 -12.342 -4.244 1.00 2.43 H new ATOM 0 HH12 ARG A 60 5.488 -12.255 -3.830 1.00 2.43 H new ATOM 0 HH21 ARG A 60 6.176 -9.621 -6.065 1.00 2.58 H new ATOM 0 HH22 ARG A 60 6.842 -10.723 -4.856 1.00 2.58 H new ATOM 940 N TYR A 61 -2.757 -11.094 -7.698 1.00 1.04 N ATOM 941 CA TYR A 61 -4.151 -11.338 -7.363 1.00 1.26 C ATOM 942 C TYR A 61 -5.050 -11.303 -8.592 1.00 1.32 C ATOM 943 O TYR A 61 -6.264 -11.457 -8.467 1.00 1.59 O ATOM 944 CB TYR A 61 -4.635 -10.325 -6.332 1.00 1.52 C ATOM 945 CG TYR A 61 -5.145 -10.987 -5.083 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.286 -11.296 -4.038 1.00 2.70 C ATOM 947 CD2 TYR A 61 -6.492 -11.280 -4.937 1.00 2.84 C ATOM 948 CE1 TYR A 61 -4.756 -11.883 -2.882 1.00 3.67 C ATOM 949 CE2 TYR A 61 -6.970 -11.861 -3.785 1.00 3.86 C ATOM 950 CZ TYR A 61 -6.072 -12.256 -2.802 1.00 4.23 C ATOM 951 OH TYR A 61 -6.576 -12.733 -1.613 1.00 5.32 O ATOM 0 H TYR A 61 -2.499 -10.107 -7.695 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.211 -12.341 -6.940 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -3.818 -9.651 -6.076 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.427 -9.716 -6.768 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.233 -11.073 -4.131 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.177 -11.049 -5.740 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -4.092 -12.047 -2.046 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.031 -12.008 -3.647 1.00 3.86 H new ATOM 0 HH TYR A 61 -7.485 -13.071 -1.755 1.00 5.32 H new ATOM 961 N ARG A 62 -4.441 -11.062 -9.754 1.00 1.28 N ATOM 962 CA ARG A 62 -5.146 -10.838 -11.027 1.00 1.39 C ATOM 963 C ARG A 62 -6.420 -11.678 -11.195 1.00 1.07 C ATOM 964 O ARG A 62 -7.421 -11.189 -11.724 1.00 1.30 O ATOM 965 CB ARG A 62 -4.210 -11.137 -12.200 1.00 1.72 C ATOM 966 CG ARG A 62 -4.739 -10.636 -13.534 1.00 2.15 C ATOM 967 CD ARG A 62 -4.380 -9.177 -13.762 1.00 2.51 C ATOM 968 NE ARG A 62 -2.979 -9.029 -14.154 1.00 3.10 N ATOM 969 CZ ARG A 62 -2.280 -7.899 -14.065 1.00 3.59 C ATOM 970 NH1 ARG A 62 -2.808 -6.812 -13.517 1.00 3.59 N ATOM 971 NH2 ARG A 62 -1.034 -7.872 -14.514 1.00 4.48 N ATOM 0 H ARG A 62 -3.426 -11.015 -9.843 1.00 1.28 H new ATOM 0 HA ARG A 62 -5.451 -9.792 -11.014 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -3.239 -10.680 -12.007 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.049 -12.213 -12.262 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -4.329 -11.243 -14.341 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.822 -10.755 -13.565 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -5.023 -8.759 -14.537 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.567 -8.608 -12.851 1.00 2.51 H new ATOM 0 HE ARG A 62 -2.502 -9.852 -14.523 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.762 -6.834 -13.157 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -2.260 -5.954 -13.456 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -0.621 -8.710 -14.922 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -0.488 -7.013 -14.452 1.00 4.48 H new ATOM 985 N ARG A 63 -6.390 -12.930 -10.765 1.00 0.98 N ATOM 986 CA ARG A 63 -7.519 -13.826 -10.977 1.00 1.19 C ATOM 987 C ARG A 63 -8.676 -13.513 -10.026 1.00 1.20 C ATOM 988 O ARG A 63 -9.838 -13.512 -10.432 1.00 1.45 O ATOM 989 CB ARG A 63 -7.086 -15.277 -10.795 1.00 1.61 C ATOM 990 CG ARG A 63 -8.088 -16.281 -11.338 1.00 2.18 C ATOM 991 CD ARG A 63 -7.672 -17.702 -11.019 1.00 2.52 C ATOM 992 NE ARG A 63 -6.281 -17.956 -11.381 1.00 3.12 N ATOM 993 CZ ARG A 63 -5.388 -18.480 -10.546 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.745 -18.786 -9.306 1.00 4.07 N ATOM 995 NH2 ARG A 63 -4.138 -18.676 -10.944 1.00 4.72 N ATOM 0 H ARG A 63 -5.602 -13.348 -10.270 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.868 -13.674 -11.998 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.128 -15.427 -11.292 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.928 -15.470 -9.734 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -9.071 -16.083 -10.911 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.179 -16.160 -12.417 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -7.810 -17.890 -9.954 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -8.319 -18.398 -11.553 1.00 2.52 H new ATOM 0 HE ARG A 63 -5.977 -17.719 -12.325 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -6.702 -18.619 -8.995 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -5.063 -19.188 -8.663 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -3.859 -18.425 -11.893 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -3.455 -19.078 -10.302 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.359 -13.261 -8.763 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.390 -13.063 -7.751 1.00 1.09 C ATOM 1011 C ALA A 64 -9.780 -11.593 -7.582 1.00 1.08 C ATOM 1012 O ALA A 64 -10.958 -11.284 -7.471 1.00 1.05 O ATOM 1013 CB ALA A 64 -8.951 -13.648 -6.409 1.00 1.17 C ATOM 0 H ALA A 64 -7.403 -13.189 -8.415 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.275 -13.592 -8.104 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -9.735 -13.489 -5.669 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.768 -14.717 -6.520 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.036 -13.156 -6.079 1.00 1.17 H new ATOM 1019 N PHE A 65 -8.794 -10.694 -7.599 1.00 1.14 N ATOM 1020 CA PHE A 65 -8.980 -9.315 -7.114 1.00 1.22 C ATOM 1021 C PHE A 65 -10.226 -8.624 -7.692 1.00 1.19 C ATOM 1022 O PHE A 65 -10.941 -7.931 -6.970 1.00 1.22 O ATOM 1023 CB PHE A 65 -7.723 -8.465 -7.376 1.00 1.47 C ATOM 1024 CG PHE A 65 -7.653 -7.833 -8.742 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -7.330 -8.584 -9.857 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -7.911 -6.481 -8.902 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -7.267 -8.001 -11.109 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -7.850 -5.892 -10.148 1.00 2.44 C ATOM 1029 CZ PHE A 65 -7.527 -6.654 -11.255 1.00 2.81 C ATOM 0 H PHE A 65 -7.854 -10.892 -7.943 1.00 1.14 H new ATOM 0 HA PHE A 65 -9.142 -9.396 -6.039 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -7.673 -7.677 -6.625 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -6.843 -9.093 -7.238 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -7.124 -9.639 -9.749 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -8.163 -5.881 -8.040 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -7.015 -8.599 -11.972 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -8.054 -4.837 -10.258 1.00 2.44 H new ATOM 0 HZ PHE A 65 -7.478 -6.196 -12.232 1.00 2.81 H new ATOM 1039 N SER A 66 -10.498 -8.820 -8.975 1.00 1.20 N ATOM 1040 CA SER A 66 -11.623 -8.153 -9.617 1.00 1.24 C ATOM 1041 C SER A 66 -12.876 -9.018 -9.526 1.00 1.13 C ATOM 1042 O SER A 66 -13.965 -8.525 -9.236 1.00 1.16 O ATOM 1043 CB SER A 66 -11.295 -7.834 -11.078 1.00 1.45 C ATOM 1044 OG SER A 66 -12.331 -7.083 -11.690 1.00 2.19 O ATOM 0 H SER A 66 -9.959 -9.431 -9.589 1.00 1.20 H new ATOM 0 HA SER A 66 -11.812 -7.215 -9.095 1.00 1.24 H new ATOM 0 HB2 SER A 66 -10.360 -7.276 -11.129 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.142 -8.762 -11.629 1.00 1.45 H new ATOM 0 HG SER A 66 -12.092 -6.894 -12.621 1.00 2.19 H new ATOM 1050 N ASP A 67 -12.703 -10.315 -9.756 1.00 1.09 N ATOM 1051 CA ASP A 67 -13.802 -11.282 -9.687 1.00 1.08 C ATOM 1052 C ASP A 67 -14.442 -11.284 -8.299 1.00 0.97 C ATOM 1053 O ASP A 67 -15.634 -11.556 -8.137 1.00 1.01 O ATOM 1054 CB ASP A 67 -13.267 -12.675 -10.027 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.282 -13.776 -9.799 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -15.214 -13.913 -10.617 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -14.138 -14.526 -8.810 1.00 2.72 O ATOM 0 H ASP A 67 -11.802 -10.729 -9.995 1.00 1.09 H new ATOM 0 HA ASP A 67 -14.569 -10.998 -10.407 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -12.951 -12.691 -11.070 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -12.382 -12.875 -9.423 1.00 1.18 H new ATOM 1062 N LEU A 68 -13.632 -10.949 -7.309 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.046 -10.912 -5.916 1.00 0.85 C ATOM 1064 C LEU A 68 -15.146 -9.894 -5.642 1.00 0.76 C ATOM 1065 O LEU A 68 -15.797 -9.972 -4.607 1.00 0.77 O ATOM 1066 CB LEU A 68 -12.836 -10.622 -5.028 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.212 -11.846 -4.358 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.163 -13.022 -5.314 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -10.829 -11.517 -3.835 1.00 1.56 C ATOM 0 H LEU A 68 -12.655 -10.692 -7.452 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.463 -11.892 -5.684 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.073 -10.129 -5.631 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.135 -9.916 -4.253 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.839 -12.129 -3.513 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -11.715 -13.880 -4.813 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.175 -13.275 -5.632 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.564 -12.758 -6.186 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.400 -12.400 -3.361 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.192 -11.203 -4.662 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -10.898 -10.711 -3.105 1.00 1.56 H new ATOM 1081 N THR A 69 -15.365 -8.944 -6.542 1.00 0.70 N ATOM 1082 CA THR A 69 -16.338 -7.882 -6.290 1.00 0.62 C ATOM 1083 C THR A 69 -17.752 -8.427 -6.133 1.00 0.63 C ATOM 1084 O THR A 69 -18.601 -7.792 -5.511 1.00 0.60 O ATOM 1085 CB THR A 69 -16.326 -6.810 -7.386 1.00 0.62 C ATOM 1086 OG1 THR A 69 -16.301 -7.423 -8.681 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.133 -5.895 -7.211 1.00 0.63 C ATOM 0 H THR A 69 -14.890 -8.884 -7.443 1.00 0.70 H new ATOM 0 HA THR A 69 -16.033 -7.421 -5.351 1.00 0.62 H new ATOM 0 HB THR A 69 -17.235 -6.215 -7.303 1.00 0.62 H new ATOM 0 HG1 THR A 69 -15.377 -7.469 -9.003 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.136 -5.138 -7.996 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.188 -5.408 -6.237 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.215 -6.479 -7.274 1.00 0.63 H new ATOM 1095 N SER A 70 -17.995 -9.606 -6.683 1.00 0.72 N ATOM 1096 CA SER A 70 -19.267 -10.276 -6.498 1.00 0.80 C ATOM 1097 C SER A 70 -19.312 -10.877 -5.102 1.00 0.76 C ATOM 1098 O SER A 70 -20.352 -10.902 -4.446 1.00 0.76 O ATOM 1099 CB SER A 70 -19.443 -11.377 -7.537 1.00 0.96 C ATOM 1100 OG SER A 70 -20.785 -11.834 -7.577 1.00 1.34 O ATOM 0 H SER A 70 -17.327 -10.116 -7.260 1.00 0.72 H new ATOM 0 HA SER A 70 -20.074 -9.554 -6.618 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.154 -11.003 -8.519 1.00 0.96 H new ATOM 0 HB3 SER A 70 -18.779 -12.210 -7.305 1.00 0.96 H new ATOM 0 HG SER A 70 -20.871 -12.539 -8.253 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.152 -11.337 -4.657 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.003 -11.938 -3.344 1.00 0.77 C ATOM 1108 C GLN A 71 -18.167 -10.874 -2.269 1.00 0.67 C ATOM 1109 O GLN A 71 -18.896 -11.061 -1.296 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.624 -12.587 -3.225 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.248 -13.439 -4.414 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.081 -14.354 -4.118 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.229 -13.948 -3.186 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -14.951 -15.423 -4.707 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.288 -11.303 -5.198 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.770 -12.701 -3.211 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.875 -11.806 -3.098 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.599 -13.203 -2.326 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.108 -14.037 -4.716 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -15.997 -12.794 -5.256 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -15.628 -15.699 -5.418 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.166 -16.035 -4.486 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.482 -9.753 -2.462 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.587 -8.627 -1.548 1.00 0.55 C ATOM 1125 C LEU A 72 -18.953 -7.970 -1.682 1.00 0.47 C ATOM 1126 O LEU A 72 -19.510 -7.476 -0.707 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.504 -7.582 -1.847 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.056 -8.059 -1.722 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.328 -7.909 -3.049 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.332 -7.282 -0.635 1.00 1.35 C ATOM 0 H LEU A 72 -16.847 -9.602 -3.246 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.454 -9.004 -0.534 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.656 -7.210 -2.860 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.647 -6.738 -1.173 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.066 -9.114 -1.449 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.299 -8.253 -2.941 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.832 -8.505 -3.810 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.330 -6.861 -3.349 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.303 -7.634 -0.560 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.335 -6.221 -0.883 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.838 -7.433 0.319 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.498 -8.011 -2.893 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.723 -7.289 -3.222 1.00 0.48 C ATOM 1144 C HIS A 73 -20.487 -5.798 -3.014 1.00 0.43 C ATOM 1145 O HIS A 73 -21.066 -5.163 -2.134 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.914 -7.795 -2.398 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.231 -7.194 -2.790 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.840 -6.187 -2.076 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -24.059 -7.470 -3.826 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -24.982 -5.869 -2.652 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.141 -6.631 -3.717 1.00 2.62 N ATOM 0 H HIS A 73 -19.106 -8.542 -3.671 1.00 0.48 H new ATOM 0 HA HIS A 73 -20.976 -7.468 -4.267 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.977 -8.878 -2.499 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -21.729 -7.583 -1.345 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.898 -8.212 -4.595 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -25.672 -5.112 -2.310 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -25.937 -6.602 -4.355 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.576 -5.281 -3.818 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.175 -3.886 -3.773 1.00 0.41 C ATOM 1162 C ILE A 74 -20.351 -2.961 -4.055 1.00 0.49 C ATOM 1163 O ILE A 74 -20.913 -2.955 -5.152 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.047 -3.654 -4.788 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -16.870 -4.560 -4.437 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.615 -2.201 -4.804 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.171 -4.171 -3.155 1.00 0.39 C ATOM 0 H ILE A 74 -19.087 -5.825 -4.530 1.00 0.45 H new ATOM 0 HA ILE A 74 -18.816 -3.655 -2.770 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.411 -3.896 -5.786 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.225 -5.587 -4.351 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.150 -4.540 -5.255 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -16.815 -2.067 -5.532 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.463 -1.572 -5.077 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.256 -1.917 -3.815 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.345 -4.858 -2.968 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.785 -3.155 -3.245 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -16.878 -4.219 -2.326 1.00 0.39 H new ATOM 1179 N THR A 75 -20.710 -2.187 -3.048 1.00 0.38 N ATOM 1180 CA THR A 75 -21.911 -1.380 -3.073 1.00 0.40 C ATOM 1181 C THR A 75 -21.712 -0.196 -2.092 1.00 0.37 C ATOM 1182 O THR A 75 -20.577 0.019 -1.660 1.00 0.34 O ATOM 1183 CB THR A 75 -23.112 -2.301 -2.693 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.316 -1.901 -3.364 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.345 -2.335 -1.187 1.00 0.46 C ATOM 0 H THR A 75 -20.172 -2.101 -2.186 1.00 0.38 H new ATOM 0 HA THR A 75 -22.119 -0.957 -4.056 1.00 0.40 H new ATOM 0 HB THR A 75 -22.848 -3.306 -3.022 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.048 -2.499 -3.106 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.190 -2.987 -0.964 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.453 -2.714 -0.689 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.560 -1.328 -0.829 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.753 0.635 -1.802 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.784 1.593 -0.683 1.00 0.37 C ATOM 1195 C PRO A 76 -21.988 1.168 0.561 1.00 0.35 C ATOM 1196 O PRO A 76 -21.565 0.023 0.677 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.280 1.688 -0.353 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.009 1.079 -1.514 1.00 0.47 C ATOM 1199 CD PRO A 76 -23.984 0.782 -2.575 1.00 0.44 C ATOM 0 HA PRO A 76 -22.311 2.532 -0.971 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.508 1.157 0.571 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.580 2.726 -0.207 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.524 0.168 -1.210 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.769 1.763 -1.893 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.225 -0.126 -3.128 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -23.910 1.589 -3.304 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.796 2.141 1.465 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.964 2.019 2.678 1.00 0.37 C ATOM 1209 C GLY A 77 -20.846 0.637 3.311 1.00 0.38 C ATOM 1210 O GLY A 77 -19.848 0.348 3.973 1.00 0.40 O ATOM 0 H GLY A 77 -22.226 3.061 1.372 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.960 2.365 2.434 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.362 2.701 3.429 1.00 0.37 H new ATOM 1214 N THR A 78 -21.840 -0.210 3.133 1.00 0.40 N ATOM 1215 CA THR A 78 -21.797 -1.557 3.658 1.00 0.42 C ATOM 1216 C THR A 78 -20.747 -2.418 2.942 1.00 0.38 C ATOM 1217 O THR A 78 -20.546 -3.580 3.289 1.00 0.40 O ATOM 1218 CB THR A 78 -23.183 -2.203 3.570 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.710 -2.046 2.244 1.00 0.50 O ATOM 1220 CG2 THR A 78 -24.114 -1.547 4.573 1.00 0.56 C ATOM 0 H THR A 78 -22.694 0.015 2.624 1.00 0.40 H new ATOM 0 HA THR A 78 -21.501 -1.496 4.705 1.00 0.42 H new ATOM 0 HB THR A 78 -23.099 -3.266 3.797 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.596 -2.462 2.193 1.00 0.50 H new ATOM 0 HG21 THR A 78 -25.100 -2.007 4.509 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.716 -1.679 5.579 1.00 0.56 H new ATOM 0 HG23 THR A 78 -24.196 -0.483 4.352 1.00 0.56 H new ATOM 1228 N ALA A 79 -20.053 -1.826 1.967 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.899 -2.465 1.347 1.00 0.31 C ATOM 1230 C ALA A 79 -17.745 -2.505 2.336 1.00 0.30 C ATOM 1231 O ALA A 79 -16.767 -3.222 2.146 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.484 -1.736 0.075 1.00 0.32 C ATOM 0 H ALA A 79 -20.274 -0.903 1.592 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.173 -3.483 1.071 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.621 -2.235 -0.365 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.310 -1.745 -0.636 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.223 -0.705 0.315 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.874 -1.721 3.399 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.922 -1.750 4.496 1.00 0.36 C ATOM 1240 C TYR A 80 -17.120 -3.013 5.305 1.00 0.36 C ATOM 1241 O TYR A 80 -16.199 -3.507 5.935 1.00 0.38 O ATOM 1242 CB TYR A 80 -17.100 -0.513 5.382 1.00 0.44 C ATOM 1243 CG TYR A 80 -16.533 -0.666 6.777 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -15.162 -0.617 6.992 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -17.362 -0.848 7.875 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -14.635 -0.748 8.260 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -16.841 -0.978 9.147 1.00 3.13 C ATOM 1248 CZ TYR A 80 -15.507 -0.964 9.340 1.00 3.12 C ATOM 1249 OH TYR A 80 -14.954 -1.057 10.597 1.00 4.13 O ATOM 0 H TYR A 80 -18.635 -1.054 3.522 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.909 -1.742 4.094 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.622 0.339 4.898 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -18.163 -0.282 5.456 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -14.497 -0.474 6.153 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -18.432 -0.889 7.732 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -13.569 -0.685 8.420 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -17.505 -1.091 9.991 1.00 3.13 H new ATOM 0 HH TYR A 80 -14.074 -1.484 10.537 1.00 4.13 H new ATOM 1259 N GLN A 81 -18.330 -3.537 5.262 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.644 -4.778 5.946 1.00 0.41 C ATOM 1261 C GLN A 81 -18.177 -5.943 5.098 1.00 0.41 C ATOM 1262 O GLN A 81 -17.778 -6.995 5.600 1.00 0.46 O ATOM 1263 CB GLN A 81 -20.143 -4.860 6.221 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.631 -3.753 7.141 1.00 0.58 C ATOM 1265 CD GLN A 81 -22.127 -3.784 7.383 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.753 -4.845 7.379 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.709 -2.616 7.594 1.00 0.79 N ATOM 0 H GLN A 81 -19.114 -3.122 4.759 1.00 0.37 H new ATOM 0 HA GLN A 81 -18.128 -4.814 6.905 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.685 -4.808 5.277 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -20.374 -5.827 6.668 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -20.114 -3.832 8.098 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -20.360 -2.789 6.711 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -22.153 -1.761 7.589 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.714 -2.570 7.762 1.00 0.79 H new ATOM 1276 N SER A 82 -18.236 -5.721 3.808 1.00 0.39 N ATOM 1277 CA SER A 82 -17.650 -6.609 2.824 1.00 0.41 C ATOM 1278 C SER A 82 -16.135 -6.655 2.999 1.00 0.41 C ATOM 1279 O SER A 82 -15.541 -7.719 3.157 1.00 0.48 O ATOM 1280 CB SER A 82 -17.991 -6.084 1.434 1.00 0.41 C ATOM 1281 OG SER A 82 -19.371 -5.782 1.336 1.00 0.43 O ATOM 0 H SER A 82 -18.698 -4.907 3.402 1.00 0.39 H new ATOM 0 HA SER A 82 -18.046 -7.616 2.952 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.403 -5.191 1.223 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.722 -6.827 0.683 1.00 0.41 H new ATOM 0 HG SER A 82 -19.786 -6.363 0.665 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.524 -5.475 2.983 1.00 0.38 N ATOM 1288 CA PHE A 83 -14.085 -5.346 3.142 1.00 0.37 C ATOM 1289 C PHE A 83 -13.668 -5.675 4.574 1.00 0.38 C ATOM 1290 O PHE A 83 -12.504 -5.959 4.851 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.633 -3.939 2.739 1.00 0.36 C ATOM 1292 CG PHE A 83 -12.142 -3.748 2.783 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -11.336 -4.206 1.754 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.548 -3.099 3.853 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.968 -4.022 1.793 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.180 -2.914 3.897 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.384 -3.412 2.860 1.00 1.18 C ATOM 0 H PHE A 83 -16.011 -4.587 2.860 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.593 -6.062 2.483 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.988 -3.728 1.730 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -14.103 -3.212 3.401 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.783 -4.713 0.911 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.162 -2.733 4.663 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -9.357 -4.365 0.971 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.728 -2.389 4.726 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.310 -3.313 2.906 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.632 -5.635 5.474 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.407 -5.997 6.868 1.00 0.48 C ATOM 1309 C GLU A 84 -13.914 -7.424 6.971 1.00 0.52 C ATOM 1310 O GLU A 84 -12.927 -7.707 7.644 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.696 -5.877 7.667 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.562 -6.353 9.094 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.837 -6.190 9.890 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.852 -6.812 9.522 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.829 -5.445 10.892 1.00 0.80 O ATOM 0 H GLU A 84 -15.590 -5.353 5.265 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.658 -5.315 7.270 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -16.019 -4.836 7.668 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.477 -6.453 7.171 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -15.270 -7.403 9.096 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.761 -5.799 9.583 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.642 -8.308 6.306 1.00 0.57 N ATOM 1323 CA GLN A 85 -14.287 -9.721 6.201 1.00 0.65 C ATOM 1324 C GLN A 85 -12.828 -9.882 5.822 1.00 0.64 C ATOM 1325 O GLN A 85 -12.154 -10.818 6.240 1.00 0.71 O ATOM 1326 CB GLN A 85 -15.164 -10.372 5.137 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.632 -10.126 5.379 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.545 -10.728 4.331 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -17.196 -10.824 3.157 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.727 -11.143 4.755 1.00 1.62 N ATOM 0 H GLN A 85 -15.504 -8.066 5.818 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.446 -10.200 7.167 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.890 -9.985 4.156 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.975 -11.445 5.120 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.901 -10.532 6.354 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.806 -9.051 5.422 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.979 -11.045 5.739 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -19.386 -11.561 4.098 1.00 1.62 H new ATOM 1339 N VAL A 86 -12.358 -8.933 5.048 1.00 0.58 N ATOM 1340 CA VAL A 86 -11.015 -8.956 4.529 1.00 0.62 C ATOM 1341 C VAL A 86 -10.034 -8.387 5.540 1.00 0.55 C ATOM 1342 O VAL A 86 -9.048 -9.033 5.896 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.909 -8.124 3.254 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.782 -8.664 2.422 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -12.214 -8.134 2.478 1.00 1.30 C ATOM 0 H VAL A 86 -12.901 -8.119 4.760 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.773 -9.997 4.317 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.706 -7.086 3.516 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.693 -8.079 1.506 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.851 -8.600 2.985 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.982 -9.705 2.170 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -12.105 -7.532 1.576 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -12.466 -9.158 2.203 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -13.009 -7.719 3.097 1.00 1.30 H new ATOM 1355 N VAL A 87 -10.310 -7.167 5.992 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.423 -6.470 6.912 1.00 0.51 C ATOM 1357 C VAL A 87 -9.282 -7.266 8.203 1.00 0.56 C ATOM 1358 O VAL A 87 -8.245 -7.236 8.863 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.925 -5.037 7.219 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -11.194 -5.048 8.063 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.832 -4.223 7.890 1.00 0.85 C ATOM 0 H VAL A 87 -11.145 -6.641 5.734 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.448 -6.381 6.432 1.00 0.51 H new ATOM 0 HB VAL A 87 -10.176 -4.565 6.269 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.512 -4.023 8.255 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.982 -5.578 7.528 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.997 -5.550 9.010 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.202 -3.219 8.098 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.542 -4.704 8.824 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.967 -4.161 7.230 1.00 0.85 H new ATOM 1371 N ASN A 88 -10.339 -7.997 8.522 1.00 0.61 N ATOM 1372 CA ASN A 88 -10.366 -8.889 9.666 1.00 0.71 C ATOM 1373 C ASN A 88 -9.258 -9.926 9.565 1.00 0.78 C ATOM 1374 O ASN A 88 -8.476 -10.103 10.497 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.725 -9.571 9.739 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.570 -9.062 10.890 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.543 -9.616 11.989 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -13.332 -8.008 10.646 1.00 0.73 N ATOM 0 H ASN A 88 -11.208 -7.986 7.988 1.00 0.61 H new ATOM 0 HA ASN A 88 -10.202 -8.309 10.574 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -12.259 -9.411 8.802 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.583 -10.646 9.845 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.925 -7.626 11.383 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -13.326 -7.577 9.721 1.00 0.73 H new ATOM 1385 N GLU A 89 -9.170 -10.581 8.412 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.162 -11.593 8.173 1.00 0.84 C ATOM 1387 C GLU A 89 -6.804 -10.961 8.210 1.00 0.82 C ATOM 1388 O GLU A 89 -5.853 -11.477 8.799 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.333 -12.177 6.782 1.00 0.87 C ATOM 1390 CG GLU A 89 -9.690 -12.749 6.502 1.00 1.25 C ATOM 1391 CD GLU A 89 -10.183 -13.669 7.602 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -9.567 -14.736 7.821 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -11.181 -13.321 8.269 1.00 2.87 O ATOM 0 H GLU A 89 -9.796 -10.422 7.623 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.265 -12.365 8.935 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -8.124 -11.398 6.048 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -7.588 -12.959 6.638 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -10.402 -11.934 6.371 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.659 -13.300 5.562 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.763 -9.813 7.578 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.541 -9.158 7.218 1.00 0.64 C ATOM 1402 C LEU A 90 -4.646 -8.865 8.426 1.00 0.70 C ATOM 1403 O LEU A 90 -3.426 -8.774 8.289 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.895 -7.869 6.487 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.254 -7.673 5.116 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.927 -8.984 4.445 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -6.185 -6.884 4.229 1.00 1.28 C ATOM 0 H LEU A 90 -7.599 -9.302 7.296 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.966 -9.824 6.575 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.978 -7.829 6.368 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.613 -7.028 7.120 1.00 0.56 H new ATOM 0 HG LEU A 90 -4.320 -7.133 5.269 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -4.473 -8.792 3.473 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -4.230 -9.547 5.066 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.841 -9.562 4.311 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.725 -6.745 3.251 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -7.124 -7.425 4.115 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.379 -5.911 4.680 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.244 -8.740 9.610 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.480 -8.345 10.792 1.00 0.82 C ATOM 1421 C PHE A 91 -4.251 -9.513 11.742 1.00 0.91 C ATOM 1422 O PHE A 91 -3.330 -9.495 12.556 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.167 -7.183 11.528 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.416 -7.539 12.302 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -6.336 -8.130 13.555 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -7.669 -7.261 11.782 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -7.479 -8.442 14.265 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -8.816 -7.568 12.489 1.00 2.30 C ATOM 1429 CZ PHE A 91 -8.721 -8.161 13.731 1.00 2.23 C ATOM 0 H PHE A 91 -6.237 -8.903 9.775 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.504 -8.010 10.442 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.449 -6.740 12.218 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.422 -6.415 10.797 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -5.368 -8.349 13.980 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -7.751 -6.798 10.810 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -7.401 -8.906 15.237 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -9.786 -7.344 12.070 1.00 2.30 H new ATOM 0 HZ PHE A 91 -9.616 -8.405 14.284 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.085 -10.520 11.646 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.009 -11.641 12.574 1.00 1.11 C ATOM 1441 C ARG A 92 -4.163 -12.773 12.006 1.00 0.83 C ATOM 1442 O ARG A 92 -3.532 -13.529 12.742 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.411 -12.159 12.876 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.922 -13.149 11.847 1.00 1.62 C ATOM 1445 CD ARG A 92 -8.341 -12.844 11.439 1.00 2.21 C ATOM 1446 NE ARG A 92 -9.310 -13.200 12.470 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.627 -13.121 12.308 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -11.133 -12.784 11.131 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -11.438 -13.410 13.316 1.00 5.06 N ATOM 0 H ARG A 92 -5.821 -10.594 10.944 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.539 -11.287 13.491 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.411 -12.633 13.857 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.098 -11.315 12.930 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.277 -13.126 10.968 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.869 -14.158 12.255 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.430 -11.781 11.213 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.576 -13.385 10.522 1.00 2.21 H new ATOM 0 HE ARG A 92 -8.956 -13.529 13.368 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.512 -12.585 10.347 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -12.144 -12.724 11.009 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -11.052 -13.693 14.216 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -12.448 -13.349 13.191 1.00 5.06 H new ATOM 1463 N ASP A 93 -4.159 -12.878 10.693 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.599 -14.039 10.018 1.00 1.10 C ATOM 1465 C ASP A 93 -2.116 -13.872 9.691 1.00 1.31 C ATOM 1466 O ASP A 93 -1.528 -14.722 9.025 1.00 1.88 O ATOM 1467 CB ASP A 93 -4.406 -14.318 8.741 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.929 -15.541 7.979 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -4.043 -16.662 8.516 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -3.446 -15.387 6.836 1.00 3.12 O ATOM 0 H ASP A 93 -4.539 -12.170 10.065 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.670 -14.888 10.698 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -5.455 -14.451 9.005 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -4.350 -13.448 8.087 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.471 -12.815 10.163 1.00 1.11 N ATOM 1476 CA GLY A 94 -0.084 -12.669 9.789 1.00 1.69 C ATOM 1477 C GLY A 94 0.273 -11.308 9.241 1.00 1.62 C ATOM 1478 O GLY A 94 0.489 -11.179 8.040 1.00 2.31 O ATOM 0 H GLY A 94 -1.859 -12.091 10.767 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.538 -12.871 10.661 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.160 -13.424 9.041 1.00 1.69 H new ATOM 1482 N VAL A 95 0.293 -10.280 10.075 1.00 0.85 N ATOM 1483 CA VAL A 95 0.622 -8.947 9.580 1.00 0.67 C ATOM 1484 C VAL A 95 2.096 -8.836 9.232 1.00 0.62 C ATOM 1485 O VAL A 95 2.970 -8.736 10.091 1.00 0.61 O ATOM 1486 CB VAL A 95 0.277 -7.829 10.585 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.580 -6.459 9.989 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.168 -7.917 11.022 1.00 1.06 C ATOM 0 H VAL A 95 0.091 -10.336 11.073 1.00 0.85 H new ATOM 0 HA VAL A 95 0.011 -8.812 8.688 1.00 0.67 H new ATOM 0 HB VAL A 95 0.902 -7.965 11.468 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.330 -5.684 10.713 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.640 -6.396 9.742 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.013 -6.316 9.085 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.383 -7.117 11.730 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.818 -7.817 10.153 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.346 -8.881 11.499 1.00 1.06 H new ATOM 1498 N ASN A 96 2.344 -8.920 7.941 1.00 0.76 N ATOM 1499 CA ASN A 96 3.675 -8.795 7.380 1.00 0.86 C ATOM 1500 C ASN A 96 3.740 -7.500 6.592 1.00 0.72 C ATOM 1501 O ASN A 96 2.742 -6.780 6.505 1.00 0.62 O ATOM 1502 CB ASN A 96 3.983 -9.982 6.453 1.00 1.17 C ATOM 1503 CG ASN A 96 3.362 -11.289 6.925 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.207 -11.442 8.231 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 3.020 -12.153 6.116 1.00 1.67 N flip ATOM 0 H ASN A 96 1.618 -9.079 7.242 1.00 0.76 H new ATOM 0 HA ASN A 96 4.412 -8.790 8.183 1.00 0.86 H new ATOM 0 HB2 ASN A 96 3.619 -9.756 5.451 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.063 -10.106 6.380 1.00 1.17 H new ATOM 0 HD21 ASN A 96 3.156 -11.998 5.117 1.00 1.67 H new ATOM 0 HD22 ASN A 96 2.601 -13.023 6.445 1.00 1.67 H new ATOM 1512 N TRP A 97 4.886 -7.210 5.998 1.00 0.77 N ATOM 1513 CA TRP A 97 5.024 -6.021 5.170 1.00 0.72 C ATOM 1514 C TRP A 97 4.062 -6.065 3.984 1.00 0.63 C ATOM 1515 O TRP A 97 3.279 -5.138 3.772 1.00 0.59 O ATOM 1516 CB TRP A 97 6.464 -5.863 4.683 1.00 0.86 C ATOM 1517 CG TRP A 97 7.409 -5.394 5.751 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.660 -5.876 6.010 1.00 0.83 C ATOM 1519 CD2 TRP A 97 7.173 -4.351 6.704 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.220 -5.189 7.061 1.00 0.99 N ATOM 1521 CE2 TRP A 97 8.324 -4.251 7.508 1.00 1.60 C ATOM 1522 CE3 TRP A 97 6.100 -3.490 6.958 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 8.431 -3.327 8.543 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 6.207 -2.574 7.986 1.00 3.24 C ATOM 1525 CH2 TRP A 97 7.365 -2.499 8.766 1.00 3.34 C ATOM 0 H TRP A 97 5.730 -7.777 6.072 1.00 0.77 H new ATOM 0 HA TRP A 97 4.770 -5.156 5.783 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.814 -6.819 4.293 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.484 -5.154 3.855 1.00 0.86 H new ATOM 0 HD1 TRP A 97 9.139 -6.679 5.469 1.00 0.83 H new ATOM 0 HE1 TRP A 97 10.151 -5.350 7.446 1.00 0.99 H new ATOM 0 HE3 TRP A 97 5.202 -3.541 6.360 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 9.323 -3.266 9.148 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 5.384 -1.906 8.191 1.00 3.24 H new ATOM 0 HH2 TRP A 97 7.419 -1.771 9.562 1.00 3.34 H new ATOM 1536 N GLY A 98 4.101 -7.162 3.237 1.00 0.69 N ATOM 1537 CA GLY A 98 3.238 -7.307 2.079 1.00 0.69 C ATOM 1538 C GLY A 98 1.777 -7.479 2.455 1.00 0.62 C ATOM 1539 O GLY A 98 0.888 -7.244 1.639 1.00 0.61 O ATOM 0 H GLY A 98 4.717 -7.956 3.413 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.344 -6.430 1.440 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.562 -8.168 1.495 1.00 0.69 H new ATOM 1543 N ARG A 99 1.533 -7.881 3.696 1.00 0.65 N ATOM 1544 CA ARG A 99 0.172 -8.075 4.189 1.00 0.67 C ATOM 1545 C ARG A 99 -0.548 -6.736 4.272 1.00 0.53 C ATOM 1546 O ARG A 99 -1.726 -6.620 3.938 1.00 0.55 O ATOM 1547 CB ARG A 99 0.199 -8.716 5.574 1.00 0.82 C ATOM 1548 CG ARG A 99 -1.157 -9.197 6.059 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.629 -10.408 5.276 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.733 -11.556 5.448 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.133 -12.774 5.817 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.412 -13.003 6.088 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -0.247 -13.756 5.934 1.00 4.24 N ATOM 0 H ARG A 99 2.261 -8.080 4.382 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.356 -8.731 3.497 1.00 0.67 H new ATOM 0 HB2 ARG A 99 0.888 -9.560 5.559 1.00 0.82 H new ATOM 0 HB3 ARG A 99 0.594 -7.995 6.289 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -1.098 -9.447 7.118 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -1.886 -8.392 5.962 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.634 -10.680 5.600 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.693 -10.153 4.218 1.00 1.50 H new ATOM 0 HE ARG A 99 0.262 -11.414 5.274 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.092 -12.247 6.014 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -2.715 -13.935 6.370 1.00 3.44 H new ATOM 0 HH21 ARG A 99 0.739 -13.579 5.742 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -0.552 -14.687 6.216 1.00 4.24 H new ATOM 1567 N ILE A 100 0.178 -5.729 4.725 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.367 -4.391 4.847 1.00 0.36 C ATOM 1569 C ILE A 100 -0.545 -3.769 3.466 1.00 0.33 C ATOM 1570 O ILE A 100 -1.534 -3.088 3.202 1.00 0.34 O ATOM 1571 CB ILE A 100 0.543 -3.514 5.723 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.685 -4.151 7.106 1.00 0.33 C ATOM 1573 CG2 ILE A 100 -0.022 -2.110 5.836 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.617 -3.405 8.028 1.00 0.34 C ATOM 0 H ILE A 100 1.152 -5.815 5.016 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.343 -4.454 5.329 1.00 0.36 H new ATOM 0 HB ILE A 100 1.528 -3.444 5.261 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.299 -4.211 7.571 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.046 -5.173 6.990 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.634 -1.503 6.459 1.00 0.34 H new ATOM 0 HG22 ILE A 100 -0.093 -1.665 4.843 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -1.014 -2.152 6.287 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.666 -3.917 8.989 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.613 -3.367 7.586 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.247 -2.390 8.176 1.00 0.34 H new ATOM 1586 N VAL A 101 0.421 -4.020 2.589 1.00 0.33 N ATOM 1587 CA VAL A 101 0.312 -3.634 1.184 1.00 0.35 C ATOM 1588 C VAL A 101 -0.975 -4.176 0.589 1.00 0.37 C ATOM 1589 O VAL A 101 -1.697 -3.469 -0.108 1.00 0.45 O ATOM 1590 CB VAL A 101 1.487 -4.179 0.362 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.390 -3.730 -1.087 1.00 1.35 C ATOM 1592 CG2 VAL A 101 2.797 -3.750 0.982 1.00 1.32 C ATOM 0 H VAL A 101 1.294 -4.492 2.827 1.00 0.33 H new ATOM 0 HA VAL A 101 0.320 -2.545 1.146 1.00 0.35 H new ATOM 0 HB VAL A 101 1.444 -5.268 0.370 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.234 -4.129 -1.649 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.460 -4.097 -1.520 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.406 -2.641 -1.132 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.625 -4.142 0.391 1.00 1.32 H new ATOM 0 HG22 VAL A 101 2.850 -2.662 1.004 1.00 1.32 H new ATOM 0 HG23 VAL A 101 2.862 -4.137 1.999 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.226 -5.450 0.854 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.475 -6.096 0.455 1.00 0.39 C ATOM 1604 C ALA A 102 -3.672 -5.260 0.867 1.00 0.35 C ATOM 1605 O ALA A 102 -4.540 -4.952 0.052 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.581 -7.469 1.086 1.00 0.44 C ATOM 0 H ALA A 102 -0.578 -6.064 1.347 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.470 -6.194 -0.631 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.516 -7.939 0.780 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.742 -8.085 0.761 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.561 -7.373 2.172 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.693 -4.892 2.138 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.746 -4.061 2.698 1.00 0.34 C ATOM 1614 C PHE A 103 -4.900 -2.761 1.902 1.00 0.31 C ATOM 1615 O PHE A 103 -6.016 -2.361 1.572 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.432 -3.794 4.174 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.275 -2.731 4.818 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.590 -2.980 5.165 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.739 -1.482 5.086 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.357 -2.002 5.768 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.502 -0.501 5.687 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.813 -0.763 6.029 1.00 1.49 C ATOM 0 H PHE A 103 -2.977 -5.162 2.813 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.702 -4.581 2.631 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.557 -4.723 4.731 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.384 -3.508 4.261 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -7.022 -3.949 4.963 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.713 -1.273 4.822 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.383 -2.208 6.035 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -5.074 0.470 5.889 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.412 0.002 6.501 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.782 -2.123 1.568 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.811 -0.922 0.737 1.00 0.40 C ATOM 1634 C PHE A 104 -4.325 -1.234 -0.661 1.00 0.39 C ATOM 1635 O PHE A 104 -5.133 -0.491 -1.211 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.424 -0.292 0.630 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.958 0.359 1.893 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -2.598 1.479 2.387 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -0.884 -0.160 2.591 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -2.172 2.074 3.555 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.455 0.428 3.761 1.00 2.61 C ATOM 1642 CZ PHE A 104 -1.092 1.580 4.223 1.00 3.29 C ATOM 0 H PHE A 104 -2.849 -2.415 1.858 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.488 -0.217 1.219 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.707 -1.061 0.343 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.433 0.450 -0.168 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -3.441 1.893 1.853 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.376 -1.036 2.215 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -2.696 2.935 3.942 1.00 2.90 H new ATOM 0 HE2 PHE A 104 0.367 0.001 4.316 1.00 2.61 H new ATOM 0 HZ PHE A 104 -0.729 2.080 5.109 1.00 3.29 H new ATOM 1652 N SER A 105 -3.855 -2.338 -1.224 1.00 0.37 N ATOM 1653 CA SER A 105 -4.222 -2.731 -2.576 1.00 0.44 C ATOM 1654 C SER A 105 -5.726 -2.955 -2.687 1.00 0.40 C ATOM 1655 O SER A 105 -6.379 -2.405 -3.573 1.00 0.45 O ATOM 1656 CB SER A 105 -3.460 -3.997 -2.981 1.00 0.50 C ATOM 1657 OG SER A 105 -2.061 -3.811 -2.847 1.00 1.19 O ATOM 0 H SER A 105 -3.214 -2.982 -0.761 1.00 0.37 H new ATOM 0 HA SER A 105 -3.950 -1.924 -3.256 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.781 -4.833 -2.360 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.699 -4.256 -4.012 1.00 0.50 H new ATOM 0 HG SER A 105 -1.832 -3.727 -1.898 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.275 -3.738 -1.768 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.698 -4.042 -1.783 1.00 0.37 C ATOM 1665 C PHE A 106 -8.516 -2.829 -1.365 1.00 0.31 C ATOM 1666 O PHE A 106 -9.617 -2.627 -1.857 1.00 0.30 O ATOM 1667 CB PHE A 106 -8.015 -5.229 -0.874 1.00 0.46 C ATOM 1668 CG PHE A 106 -7.298 -6.487 -1.266 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -7.391 -6.975 -2.559 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -6.524 -7.173 -0.348 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -6.725 -8.126 -2.927 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -5.853 -8.323 -0.710 1.00 2.53 C ATOM 1673 CZ PHE A 106 -5.955 -8.799 -2.001 1.00 2.89 C ATOM 0 H PHE A 106 -5.757 -4.173 -1.005 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.968 -4.308 -2.805 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -7.750 -4.973 0.152 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -9.089 -5.412 -0.889 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.991 -6.449 -3.287 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -6.444 -6.804 0.664 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -6.806 -8.499 -3.937 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -5.250 -8.849 0.015 1.00 2.53 H new ATOM 0 HZ PHE A 106 -5.432 -9.699 -2.287 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.973 -2.024 -0.460 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.655 -0.814 -0.046 1.00 0.28 C ATOM 1685 C GLY A 107 -8.695 0.217 -1.152 1.00 0.24 C ATOM 1686 O GLY A 107 -9.714 0.874 -1.371 1.00 0.27 O ATOM 0 H GLY A 107 -7.074 -2.187 -0.006 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.672 -1.057 0.261 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.152 -0.393 0.825 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.582 0.356 -1.858 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.530 1.259 -2.986 1.00 0.22 C ATOM 1692 C GLY A 108 -8.406 0.777 -4.123 1.00 0.22 C ATOM 1693 O GLY A 108 -9.053 1.570 -4.807 1.00 0.23 O ATOM 0 H GLY A 108 -6.713 -0.143 -1.668 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.852 2.252 -2.673 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.501 1.352 -3.332 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.430 -0.537 -4.315 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.287 -1.157 -5.315 1.00 0.26 C ATOM 1699 C ALA A 109 -10.747 -1.086 -4.884 1.00 0.27 C ATOM 1700 O ALA A 109 -11.645 -1.034 -5.717 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.870 -2.602 -5.546 1.00 0.29 C ATOM 0 H ALA A 109 -7.860 -1.197 -3.786 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.178 -0.611 -6.252 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.520 -3.053 -6.296 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.838 -2.631 -5.895 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.953 -3.158 -4.612 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.967 -1.066 -3.575 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.311 -0.984 -3.012 1.00 0.28 C ATOM 1709 C LEU A 110 -12.914 0.345 -3.418 1.00 0.24 C ATOM 1710 O LEU A 110 -14.078 0.439 -3.815 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.240 -1.083 -1.485 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.257 -2.016 -0.818 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.682 -1.553 -1.059 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.071 -3.444 -1.310 1.00 1.12 C ATOM 0 H LEU A 110 -10.224 -1.106 -2.877 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.927 -1.803 -3.383 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.239 -1.415 -1.210 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.370 -0.083 -1.071 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.077 -1.987 0.257 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.375 -2.239 -0.571 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.814 -0.552 -0.649 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.883 -1.535 -2.130 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.801 -4.093 -0.827 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.214 -3.478 -2.390 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.065 -3.785 -1.066 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.079 1.366 -3.313 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.396 2.701 -3.778 1.00 0.19 C ATOM 1728 C CYS A 111 -12.840 2.668 -5.234 1.00 0.20 C ATOM 1729 O CYS A 111 -13.933 3.123 -5.570 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.155 3.574 -3.625 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.280 5.201 -4.378 1.00 0.22 S ATOM 0 H CYS A 111 -11.151 1.287 -2.897 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.215 3.111 -3.187 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.943 3.696 -2.563 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.304 3.051 -4.062 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.303 5.949 -3.959 1.00 0.22 H new ATOM 1737 N VAL A 112 -11.999 2.098 -6.089 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.291 2.033 -7.511 1.00 0.22 C ATOM 1739 C VAL A 112 -13.533 1.199 -7.791 1.00 0.22 C ATOM 1740 O VAL A 112 -14.348 1.574 -8.621 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.114 1.469 -8.322 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.518 1.264 -9.767 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -9.926 2.402 -8.252 1.00 0.27 C ATOM 0 H VAL A 112 -11.111 1.675 -5.820 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.469 3.061 -7.826 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.834 0.508 -7.891 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.673 0.864 -10.328 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.351 0.562 -9.816 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -11.821 2.218 -10.199 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.102 1.986 -8.832 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.202 3.374 -8.660 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.616 2.519 -7.214 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.689 0.076 -7.099 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.862 -0.760 -7.296 1.00 0.28 C ATOM 1755 C GLU A 113 -16.129 -0.032 -6.895 1.00 0.23 C ATOM 1756 O GLU A 113 -17.218 -0.353 -7.361 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.718 -2.084 -6.579 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.767 -2.984 -7.328 1.00 0.53 C ATOM 1759 CD GLU A 113 -14.066 -3.005 -8.820 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -15.127 -3.543 -9.212 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -13.254 -2.483 -9.609 1.00 2.51 O ATOM 0 H GLU A 113 -13.026 -0.271 -6.406 1.00 0.23 H new ATOM 0 HA GLU A 113 -14.942 -0.979 -8.361 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.351 -1.919 -5.566 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.692 -2.565 -6.491 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -12.743 -2.646 -7.167 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.834 -3.996 -6.929 1.00 0.53 H new ATOM 1768 N SER A 114 -15.981 0.975 -6.056 1.00 0.18 N ATOM 1769 CA SER A 114 -17.090 1.839 -5.725 1.00 0.19 C ATOM 1770 C SER A 114 -17.331 2.787 -6.889 1.00 0.22 C ATOM 1771 O SER A 114 -18.456 3.001 -7.313 1.00 0.28 O ATOM 1772 CB SER A 114 -16.789 2.611 -4.444 1.00 0.18 C ATOM 1773 OG SER A 114 -16.494 1.722 -3.379 1.00 0.20 O ATOM 0 H SER A 114 -15.103 1.212 -5.593 1.00 0.18 H new ATOM 0 HA SER A 114 -17.989 1.247 -5.552 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.946 3.282 -4.608 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.644 3.233 -4.179 1.00 0.18 H new ATOM 0 HG SER A 114 -15.638 1.277 -3.552 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.242 3.273 -7.456 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.281 4.216 -8.565 1.00 0.27 C ATOM 1781 C VAL A 115 -16.858 3.536 -9.792 1.00 0.28 C ATOM 1782 O VAL A 115 -17.605 4.126 -10.574 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.858 4.700 -8.886 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.848 5.667 -10.049 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.229 5.325 -7.661 1.00 1.10 C ATOM 0 H VAL A 115 -15.298 3.025 -7.160 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.904 5.066 -8.286 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.266 3.833 -9.180 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.825 5.988 -10.247 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.252 5.176 -10.934 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.460 6.536 -9.805 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.221 5.664 -7.902 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.830 6.175 -7.337 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.182 4.588 -6.860 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.487 2.283 -9.916 1.00 0.28 N ATOM 1796 CA ASP A 116 -16.893 1.415 -10.999 1.00 0.34 C ATOM 1797 C ASP A 116 -18.409 1.403 -11.163 1.00 0.35 C ATOM 1798 O ASP A 116 -18.928 1.608 -12.259 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.386 0.017 -10.676 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.505 -0.951 -11.837 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -17.567 -1.587 -11.975 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -15.551 -1.057 -12.631 1.00 0.60 O ATOM 0 H ASP A 116 -15.873 1.823 -9.243 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.474 1.774 -11.939 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.342 0.079 -10.370 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -16.944 -0.376 -9.826 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.115 1.185 -10.059 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.573 1.121 -10.081 1.00 0.35 C ATOM 1809 C LYS A 117 -21.175 2.507 -9.834 1.00 0.34 C ATOM 1810 O LYS A 117 -22.367 2.632 -9.546 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.093 0.138 -9.019 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.052 -0.837 -8.480 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.477 -1.746 -9.552 1.00 0.45 C ATOM 1814 CE LYS A 117 -18.406 -2.659 -8.977 1.00 0.61 C ATOM 1815 NZ LYS A 117 -17.685 -3.419 -10.032 1.00 1.62 N ATOM 0 H LYS A 117 -18.701 1.049 -9.136 1.00 0.32 H new ATOM 0 HA LYS A 117 -20.877 0.769 -11.067 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.500 0.709 -8.185 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -21.917 -0.433 -9.447 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.242 -0.275 -8.016 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.505 -1.447 -7.699 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.274 -2.346 -9.990 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.053 -1.144 -10.355 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -17.691 -2.064 -8.409 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.865 -3.358 -8.278 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -16.661 -3.375 -9.854 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -17.996 -4.411 -10.019 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -17.893 -3.003 -10.962 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.335 3.541 -9.956 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.742 4.934 -9.740 1.00 0.33 C ATOM 1831 C GLU A 118 -21.179 5.160 -8.297 1.00 0.31 C ATOM 1832 O GLU A 118 -22.270 5.657 -8.020 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.850 5.341 -10.710 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.441 5.232 -12.166 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.519 5.720 -13.102 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.393 4.911 -13.475 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -22.494 6.916 -13.472 1.00 1.07 O ATOM 0 H GLU A 118 -19.352 3.435 -10.208 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.875 5.565 -9.934 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.724 4.713 -10.537 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.149 6.368 -10.499 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.532 5.810 -12.330 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.204 4.194 -12.398 1.00 0.49 H new ATOM 1844 N MET A 119 -20.303 4.778 -7.387 1.00 0.26 N ATOM 1845 CA MET A 119 -20.521 4.943 -5.959 1.00 0.26 C ATOM 1846 C MET A 119 -19.285 5.603 -5.366 1.00 0.25 C ATOM 1847 O MET A 119 -18.780 5.208 -4.320 1.00 0.23 O ATOM 1848 CB MET A 119 -20.760 3.581 -5.307 1.00 0.25 C ATOM 1849 CG MET A 119 -21.865 2.773 -5.965 1.00 0.28 C ATOM 1850 SD MET A 119 -21.957 1.091 -5.333 1.00 0.31 S ATOM 1851 CE MET A 119 -20.239 0.601 -5.461 1.00 0.29 C ATOM 0 H MET A 119 -19.411 4.340 -7.619 1.00 0.26 H new ATOM 0 HA MET A 119 -21.398 5.564 -5.778 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.834 3.006 -5.338 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.008 3.730 -4.256 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.821 3.271 -5.803 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.698 2.745 -7.042 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.178 -0.479 -5.598 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.780 1.101 -6.314 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.712 0.882 -4.549 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.808 6.617 -6.067 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.574 7.310 -5.743 1.00 0.31 C ATOM 1863 C GLN A 120 -17.601 7.969 -4.361 1.00 0.32 C ATOM 1864 O GLN A 120 -16.586 8.472 -3.890 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.321 8.336 -6.836 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.351 7.707 -8.219 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.163 8.499 -9.226 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.301 9.715 -9.116 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.692 7.810 -10.227 1.00 0.55 N ATOM 0 H GLN A 120 -19.277 6.988 -6.893 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.763 6.583 -5.697 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.074 9.122 -6.778 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.353 8.809 -6.673 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.330 7.607 -8.586 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.763 6.701 -8.143 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.553 6.801 -10.281 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.238 8.289 -10.943 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.755 7.968 -3.712 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.859 8.492 -2.357 1.00 0.35 C ATOM 1880 C VAL A 121 -18.049 7.641 -1.373 1.00 0.31 C ATOM 1881 O VAL A 121 -17.593 8.136 -0.340 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.324 8.560 -1.883 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.128 9.497 -2.769 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.947 7.174 -1.863 1.00 0.38 C ATOM 0 H VAL A 121 -19.629 7.612 -4.098 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.452 9.503 -2.379 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.337 8.953 -0.867 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.160 9.532 -2.419 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.696 10.497 -2.727 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.105 9.135 -3.797 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.981 7.245 -1.526 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.921 6.749 -2.866 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.386 6.533 -1.183 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.854 6.365 -1.711 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.105 5.447 -0.857 1.00 0.21 C ATOM 1896 C LEU A 122 -15.628 5.769 -0.899 1.00 0.19 C ATOM 1897 O LEU A 122 -14.910 5.505 0.059 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.302 3.984 -1.278 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.653 3.351 -0.937 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.008 3.609 0.512 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.743 3.859 -1.863 1.00 0.22 C ATOM 0 H LEU A 122 -18.206 5.945 -2.572 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.488 5.574 0.155 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.156 3.917 -2.356 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.518 3.387 -0.812 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.571 2.274 -1.083 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.972 3.152 0.737 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.242 3.178 1.157 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.066 4.683 0.687 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.692 3.393 -1.598 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.830 4.941 -1.763 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.491 3.609 -2.893 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.194 6.338 -2.016 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.797 6.709 -2.218 1.00 0.20 C ATOM 1915 C VAL A 123 -13.200 7.383 -0.981 1.00 0.22 C ATOM 1916 O VAL A 123 -12.165 6.956 -0.467 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.678 7.642 -3.439 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.276 8.220 -3.569 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.073 6.883 -4.697 1.00 0.23 C ATOM 0 H VAL A 123 -15.799 6.556 -2.808 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.231 5.795 -2.397 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.357 8.483 -3.300 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.231 8.873 -4.441 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.034 8.793 -2.674 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.557 7.409 -3.685 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.989 7.542 -5.561 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.411 6.027 -4.828 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.102 6.536 -4.604 1.00 0.23 H new ATOM 1929 N SER A 124 -13.863 8.419 -0.493 1.00 0.24 N ATOM 1930 CA SER A 124 -13.379 9.140 0.674 1.00 0.28 C ATOM 1931 C SER A 124 -13.560 8.308 1.944 1.00 0.27 C ATOM 1932 O SER A 124 -12.683 8.279 2.808 1.00 0.33 O ATOM 1933 CB SER A 124 -14.121 10.467 0.815 1.00 0.36 C ATOM 1934 OG SER A 124 -13.490 11.306 1.766 1.00 1.35 O ATOM 0 H SER A 124 -14.734 8.779 -0.884 1.00 0.24 H new ATOM 0 HA SER A 124 -12.315 9.334 0.537 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.158 10.971 -0.151 1.00 0.36 H new ATOM 0 HB3 SER A 124 -15.152 10.281 1.117 1.00 0.36 H new ATOM 0 HG SER A 124 -13.880 11.148 2.651 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.699 7.625 2.041 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.035 6.845 3.228 1.00 0.23 C ATOM 1942 C ARG A 125 -13.997 5.770 3.470 1.00 0.21 C ATOM 1943 O ARG A 125 -13.431 5.672 4.554 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.402 6.183 3.069 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.509 7.129 2.653 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.846 6.427 2.651 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.938 7.304 2.235 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.222 6.947 2.252 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.580 5.771 2.756 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.149 7.782 1.799 1.00 2.67 N ATOM 0 H ARG A 125 -15.407 7.597 1.307 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.058 7.528 4.077 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.323 5.387 2.328 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.677 5.714 4.013 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.541 7.979 3.334 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.300 7.525 1.659 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.800 5.567 1.983 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.053 6.043 3.650 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.704 8.243 1.913 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.872 5.140 3.131 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.563 5.499 2.768 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.879 8.697 1.438 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.132 7.509 1.812 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.761 4.969 2.444 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.812 3.874 2.518 1.00 0.19 C ATOM 1966 C ILE A 126 -11.459 4.358 3.021 1.00 0.20 C ATOM 1967 O ILE A 126 -10.900 3.786 3.951 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.664 3.190 1.141 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.031 2.647 0.704 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.633 2.075 1.207 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.073 2.103 -0.700 1.00 0.18 C ATOM 0 H ILE A 126 -14.222 5.060 1.539 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.196 3.142 3.229 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.316 3.917 0.407 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.331 1.858 1.394 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.769 3.445 0.792 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.542 1.605 0.228 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.668 2.488 1.502 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.948 1.331 1.939 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.078 1.742 -0.920 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.808 2.892 -1.404 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.364 1.281 -0.793 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.968 5.441 2.436 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.663 5.988 2.797 1.00 0.24 C ATOM 1985 C ALA A 127 -9.595 6.393 4.271 1.00 0.24 C ATOM 1986 O ALA A 127 -8.521 6.375 4.875 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.343 7.179 1.921 1.00 0.27 C ATOM 0 H ALA A 127 -11.454 5.962 1.706 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.924 5.203 2.638 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.368 7.582 2.196 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.325 6.868 0.876 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.104 7.947 2.058 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.740 6.739 4.842 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.808 7.188 6.222 1.00 0.22 C ATOM 1995 C ALA A 128 -10.433 6.066 7.158 1.00 0.23 C ATOM 1996 O ALA A 128 -9.447 6.143 7.892 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.213 7.678 6.544 1.00 0.23 C ATOM 0 H ALA A 128 -11.641 6.716 4.364 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.103 8.009 6.354 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.253 8.012 7.581 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.469 8.508 5.885 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.924 6.865 6.397 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.214 5.010 7.106 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.014 3.897 8.002 1.00 0.35 C ATOM 2005 C TRP A 129 -9.889 2.989 7.532 1.00 0.25 C ATOM 2006 O TRP A 129 -9.362 2.208 8.315 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.320 3.144 8.228 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.136 2.915 7.001 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.193 3.667 6.593 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -12.989 1.867 6.040 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -14.713 3.162 5.435 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -13.992 2.053 5.071 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -12.109 0.792 5.901 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -14.139 1.201 3.979 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -12.254 -0.049 4.816 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -13.262 0.158 3.867 1.00 3.91 C ATOM 0 H TRP A 129 -11.991 4.900 6.454 1.00 0.25 H new ATOM 0 HA TRP A 129 -10.699 4.292 8.968 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.092 2.179 8.680 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.922 3.699 8.948 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.568 4.538 7.110 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -15.508 3.547 4.924 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -11.329 0.622 6.629 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -14.918 1.358 3.247 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -11.577 -0.882 4.697 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -13.349 -0.519 3.030 1.00 3.91 H new ATOM 2027 N MET A 130 -9.513 3.091 6.260 1.00 0.24 N ATOM 2028 CA MET A 130 -8.296 2.440 5.785 1.00 0.26 C ATOM 2029 C MET A 130 -7.106 2.945 6.586 1.00 0.25 C ATOM 2030 O MET A 130 -6.357 2.168 7.183 1.00 0.29 O ATOM 2031 CB MET A 130 -8.071 2.722 4.300 1.00 0.31 C ATOM 2032 CG MET A 130 -8.778 1.751 3.375 1.00 0.29 C ATOM 2033 SD MET A 130 -7.745 0.350 2.923 1.00 1.08 S ATOM 2034 CE MET A 130 -6.500 1.176 1.935 1.00 0.31 C ATOM 0 H MET A 130 -10.026 3.611 5.548 1.00 0.24 H new ATOM 0 HA MET A 130 -8.403 1.364 5.919 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.411 3.733 4.077 1.00 0.31 H new ATOM 0 HB3 MET A 130 -7.001 2.692 4.093 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.684 1.388 3.859 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.088 2.276 2.471 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.369 0.642 0.994 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.817 2.199 1.730 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.555 1.191 2.478 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.954 4.261 6.617 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.883 4.884 7.374 1.00 0.24 C ATOM 2046 C ALA A 131 -6.054 4.632 8.862 1.00 0.24 C ATOM 2047 O ALA A 131 -5.080 4.364 9.568 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.830 6.372 7.093 1.00 0.25 C ATOM 0 H ALA A 131 -7.561 4.917 6.125 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.940 4.437 7.059 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.022 6.822 7.669 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.653 6.535 6.030 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.777 6.830 7.378 1.00 0.25 H new ATOM 2054 N THR A 132 -7.290 4.728 9.340 1.00 0.26 N ATOM 2055 CA THR A 132 -7.580 4.434 10.737 1.00 0.29 C ATOM 2056 C THR A 132 -7.165 3.013 11.121 1.00 0.30 C ATOM 2057 O THR A 132 -6.498 2.808 12.133 1.00 0.32 O ATOM 2058 CB THR A 132 -9.072 4.597 11.062 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.479 5.959 10.877 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.338 4.159 12.494 1.00 0.40 C ATOM 0 H THR A 132 -8.100 5.005 8.786 1.00 0.26 H new ATOM 0 HA THR A 132 -6.999 5.154 11.313 1.00 0.29 H new ATOM 0 HB THR A 132 -9.651 3.970 10.384 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.511 6.164 9.919 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.398 4.277 12.720 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.056 3.113 12.613 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.751 4.773 13.177 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.582 2.030 10.332 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.274 0.639 10.631 1.00 0.32 C ATOM 2070 C TYR A 133 -5.773 0.408 10.685 1.00 0.32 C ATOM 2071 O TYR A 133 -5.297 -0.391 11.488 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.931 -0.296 9.621 1.00 0.33 C ATOM 2073 CG TYR A 133 -9.244 -0.863 10.111 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -10.420 -0.132 9.996 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -9.313 -2.129 10.675 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -11.626 -0.646 10.432 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -10.515 -2.651 11.110 1.00 2.40 C ATOM 2078 CZ TYR A 133 -11.650 -1.904 11.036 1.00 2.40 C ATOM 2079 OH TYR A 133 -12.866 -2.423 11.417 1.00 3.13 O ATOM 0 H TYR A 133 -8.132 2.170 9.484 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.683 0.414 11.616 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.100 0.244 8.689 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.249 -1.116 9.395 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -10.391 0.855 9.558 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -8.412 -2.716 10.775 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -12.538 -0.082 10.307 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -10.554 -3.654 11.510 1.00 2.40 H new ATOM 0 HH TYR A 133 -12.733 -3.305 11.823 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.026 1.113 9.847 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.578 1.105 9.965 1.00 0.30 C ATOM 2091 C LEU A 134 -3.208 1.683 11.324 1.00 0.32 C ATOM 2092 O LEU A 134 -2.549 1.032 12.128 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.924 1.934 8.849 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.451 1.605 8.568 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.958 2.362 7.356 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.580 1.948 9.760 1.00 0.88 C ATOM 0 H LEU A 134 -5.393 1.689 9.089 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.215 0.082 9.871 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.493 1.791 7.931 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.001 2.990 9.110 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.384 0.534 8.377 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.088 2.115 7.174 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.553 2.084 6.486 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.052 3.433 7.533 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.458 1.705 9.534 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.664 3.013 9.978 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.907 1.373 10.627 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.684 2.894 11.568 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.415 3.629 12.801 1.00 0.35 C ATOM 2110 C ASN A 135 -3.617 2.774 14.050 1.00 0.38 C ATOM 2111 O ASN A 135 -2.738 2.701 14.906 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.330 4.853 12.873 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.688 6.110 12.335 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.079 6.871 13.079 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.829 6.340 11.041 1.00 0.34 N ATOM 0 H ASN A 135 -4.275 3.403 10.910 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.368 3.930 12.777 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.242 4.650 12.312 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.624 5.018 13.910 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.423 7.178 10.625 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.344 5.680 10.459 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.769 2.126 14.151 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.108 1.392 15.364 1.00 0.42 C ATOM 2124 C ASP A 136 -4.526 -0.019 15.366 1.00 0.40 C ATOM 2125 O ASP A 136 -3.954 -0.463 16.360 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.626 1.318 15.534 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.020 0.670 16.843 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -6.921 1.342 17.893 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.434 -0.510 16.832 1.00 0.58 O ATOM 0 H ASP A 136 -5.478 2.093 13.418 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.668 1.937 16.199 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.045 2.323 15.487 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.056 0.754 14.707 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.670 -0.717 14.252 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.331 -2.133 14.190 1.00 0.38 C ATOM 2136 C HIS A 137 -2.888 -2.375 13.764 1.00 0.35 C ATOM 2137 O HIS A 137 -2.156 -3.119 14.414 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.274 -2.845 13.220 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.505 -3.401 13.870 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -6.513 -4.572 14.598 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -7.777 -2.940 13.894 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.735 -4.806 15.039 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.519 -3.831 14.627 1.00 1.34 N ATOM 0 H HIS A 137 -5.020 -0.328 13.376 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.444 -2.534 15.197 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.572 -2.146 12.438 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.734 -3.657 12.733 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -8.140 -2.038 13.424 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.040 -5.653 15.636 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -9.517 -3.751 14.822 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.486 -1.740 12.680 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.256 -2.108 11.999 1.00 0.29 C ATOM 2154 C LEU A 138 -0.053 -1.333 12.500 1.00 0.27 C ATOM 2155 O LEU A 138 1.038 -1.884 12.589 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.437 -1.878 10.509 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.692 -2.522 9.940 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.855 -2.173 8.481 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.641 -4.022 10.140 1.00 1.20 C ATOM 0 H LEU A 138 -2.992 -0.966 12.250 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.058 -3.159 12.208 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -1.470 -0.806 10.317 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.567 -2.269 9.981 1.00 0.30 H new ATOM 0 HG LEU A 138 -3.560 -2.134 10.473 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.758 -2.643 8.093 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.934 -1.091 8.372 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -1.991 -2.532 7.922 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.544 -4.475 9.730 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -1.767 -4.428 9.630 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.575 -4.245 11.205 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.261 -0.065 12.822 1.00 0.30 N ATOM 2172 CA GLU A 139 0.828 0.836 13.195 1.00 0.31 C ATOM 2173 C GLU A 139 1.743 0.229 14.267 1.00 0.30 C ATOM 2174 O GLU A 139 2.959 0.209 14.081 1.00 0.30 O ATOM 2175 CB GLU A 139 0.279 2.183 13.657 1.00 0.38 C ATOM 2176 CG GLU A 139 1.339 3.261 13.770 1.00 0.40 C ATOM 2177 CD GLU A 139 0.778 4.547 14.328 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.324 5.398 13.534 1.00 0.75 O ATOM 2179 OE2 GLU A 139 0.798 4.721 15.556 1.00 0.61 O ATOM 0 H GLU A 139 -1.183 0.370 12.833 1.00 0.30 H new ATOM 0 HA GLU A 139 1.436 0.991 12.303 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.490 2.512 12.958 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.204 2.057 14.626 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.147 2.909 14.411 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.771 3.450 12.787 1.00 0.40 H new ATOM 2186 N PRO A 140 1.196 -0.289 15.393 1.00 0.32 N ATOM 2187 CA PRO A 140 2.016 -0.950 16.411 1.00 0.34 C ATOM 2188 C PRO A 140 2.805 -2.115 15.823 1.00 0.32 C ATOM 2189 O PRO A 140 4.018 -2.209 15.995 1.00 0.34 O ATOM 2190 CB PRO A 140 0.997 -1.465 17.432 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.217 -0.632 17.228 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.234 -0.273 15.773 1.00 0.36 C ATOM 0 HA PRO A 140 2.754 -0.274 16.843 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.780 -2.521 17.273 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.375 -1.367 18.449 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.117 -1.181 17.505 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.185 0.263 17.850 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.812 -0.990 15.190 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.682 0.707 15.607 1.00 0.36 H new ATOM 2200 N TRP A 141 2.098 -2.977 15.098 1.00 0.31 N ATOM 2201 CA TRP A 141 2.691 -4.160 14.482 1.00 0.32 C ATOM 2202 C TRP A 141 3.831 -3.761 13.547 1.00 0.31 C ATOM 2203 O TRP A 141 4.921 -4.314 13.619 1.00 0.36 O ATOM 2204 CB TRP A 141 1.615 -4.930 13.719 1.00 0.35 C ATOM 2205 CG TRP A 141 1.891 -6.393 13.620 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.776 -7.004 12.786 1.00 0.43 C ATOM 2207 CD2 TRP A 141 1.271 -7.435 14.383 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.745 -8.360 12.981 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.830 -8.652 13.956 1.00 0.70 C ATOM 2210 CE3 TRP A 141 0.298 -7.456 15.386 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 1.450 -9.878 14.496 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.079 -8.674 15.921 1.00 1.19 C ATOM 2213 CH2 TRP A 141 0.496 -9.870 15.476 1.00 1.20 C ATOM 0 H TRP A 141 1.099 -2.875 14.921 1.00 0.31 H new ATOM 0 HA TRP A 141 3.103 -4.801 15.261 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.654 -4.782 14.212 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.526 -4.516 12.715 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.410 -6.495 12.075 1.00 0.43 H new ATOM 0 HE1 TRP A 141 3.313 -9.043 12.480 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.151 -6.538 15.737 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.893 -10.802 14.153 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -0.831 -8.703 16.696 1.00 1.19 H new ATOM 0 HH2 TRP A 141 0.180 -10.805 15.915 1.00 1.20 H new ATOM 2224 N ILE A 142 3.566 -2.798 12.677 1.00 0.26 N ATOM 2225 CA ILE A 142 4.585 -2.207 11.809 1.00 0.26 C ATOM 2226 C ILE A 142 5.866 -1.891 12.578 1.00 0.29 C ATOM 2227 O ILE A 142 6.957 -2.313 12.189 1.00 0.32 O ATOM 2228 CB ILE A 142 4.030 -0.912 11.186 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.947 -1.260 10.174 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.134 -0.082 10.548 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.987 -0.132 9.904 1.00 0.26 C ATOM 0 H ILE A 142 2.636 -2.400 12.549 1.00 0.26 H new ATOM 0 HA ILE A 142 4.830 -2.930 11.031 1.00 0.26 H new ATOM 0 HB ILE A 142 3.594 -0.302 11.977 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.419 -1.556 9.237 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.388 -2.123 10.536 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.706 0.824 10.119 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.870 0.188 11.305 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.618 -0.662 9.762 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.244 -0.453 9.174 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.487 0.150 10.831 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.534 0.725 9.512 1.00 0.26 H new ATOM 2243 N GLN A 143 5.720 -1.150 13.666 1.00 0.30 N ATOM 2244 CA GLN A 143 6.853 -0.745 14.488 1.00 0.35 C ATOM 2245 C GLN A 143 7.614 -1.959 15.034 1.00 0.39 C ATOM 2246 O GLN A 143 8.833 -1.913 15.194 1.00 0.43 O ATOM 2247 CB GLN A 143 6.369 0.131 15.639 1.00 0.41 C ATOM 2248 CG GLN A 143 5.523 1.310 15.184 1.00 0.43 C ATOM 2249 CD GLN A 143 6.279 2.294 14.310 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.490 2.471 14.450 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.563 2.937 13.398 1.00 0.52 N ATOM 0 H GLN A 143 4.818 -0.813 14.004 1.00 0.30 H new ATOM 0 HA GLN A 143 7.540 -0.177 13.861 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.788 -0.479 16.331 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.232 0.504 16.191 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.659 0.937 14.634 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.141 1.833 16.061 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.562 2.759 13.317 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.013 3.609 12.777 1.00 0.52 H new ATOM 2260 N GLU A 144 6.889 -3.050 15.294 1.00 0.40 N ATOM 2261 CA GLU A 144 7.491 -4.287 15.796 1.00 0.47 C ATOM 2262 C GLU A 144 8.407 -4.911 14.748 1.00 0.48 C ATOM 2263 O GLU A 144 9.265 -5.735 15.060 1.00 0.55 O ATOM 2264 CB GLU A 144 6.387 -5.285 16.143 1.00 0.51 C ATOM 2265 CG GLU A 144 5.317 -4.723 17.053 1.00 0.52 C ATOM 2266 CD GLU A 144 5.718 -4.705 18.514 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.629 -5.760 19.172 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.117 -3.632 19.017 1.00 0.67 O ATOM 0 H GLU A 144 5.879 -3.101 15.164 1.00 0.40 H new ATOM 0 HA GLU A 144 8.079 -4.047 16.682 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.921 -5.631 15.221 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.835 -6.156 16.620 1.00 0.51 H new ATOM 0 HG2 GLU A 144 5.078 -3.708 16.737 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.408 -5.314 16.941 1.00 0.52 H new ATOM 2275 N ASN A 145 8.206 -4.509 13.506 1.00 0.44 N ATOM 2276 CA ASN A 145 8.903 -5.094 12.371 1.00 0.48 C ATOM 2277 C ASN A 145 9.903 -4.111 11.790 1.00 0.47 C ATOM 2278 O ASN A 145 10.562 -4.392 10.787 1.00 0.57 O ATOM 2279 CB ASN A 145 7.881 -5.516 11.317 1.00 0.49 C ATOM 2280 CG ASN A 145 7.055 -6.690 11.790 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.325 -7.840 11.442 1.00 0.93 O ATOM 2282 ND2 ASN A 145 6.063 -6.407 12.616 1.00 0.54 N ATOM 0 H ASN A 145 7.554 -3.766 13.254 1.00 0.44 H new ATOM 0 HA ASN A 145 9.458 -5.971 12.703 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.225 -4.676 11.087 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.396 -5.780 10.393 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.484 -7.157 12.993 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.877 -5.439 12.876 1.00 0.54 H new ATOM 2289 N GLY A 146 10.004 -2.954 12.424 1.00 0.42 N ATOM 2290 CA GLY A 146 10.994 -1.981 12.035 1.00 0.45 C ATOM 2291 C GLY A 146 10.407 -0.614 11.764 1.00 0.44 C ATOM 2292 O GLY A 146 10.908 0.394 12.263 1.00 0.56 O ATOM 0 H GLY A 146 9.412 -2.673 13.206 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.743 -1.899 12.823 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.509 -2.333 11.141 1.00 0.45 H new ATOM 2296 N GLY A 147 9.344 -0.576 10.982 1.00 0.36 N ATOM 2297 CA GLY A 147 8.741 0.686 10.610 1.00 0.36 C ATOM 2298 C GLY A 147 8.614 0.817 9.109 1.00 0.38 C ATOM 2299 O GLY A 147 9.133 -0.021 8.367 1.00 0.49 O ATOM 0 H GLY A 147 8.884 -1.400 10.595 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.756 0.769 11.068 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.343 1.507 10.999 1.00 0.36 H new ATOM 2303 N TRP A 148 7.942 1.862 8.654 1.00 0.35 N ATOM 2304 CA TRP A 148 7.701 2.053 7.234 1.00 0.37 C ATOM 2305 C TRP A 148 9.000 2.283 6.470 1.00 0.38 C ATOM 2306 O TRP A 148 9.153 1.804 5.346 1.00 0.40 O ATOM 2307 CB TRP A 148 6.735 3.211 7.003 1.00 0.39 C ATOM 2308 CG TRP A 148 5.314 2.864 7.308 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.520 3.404 8.278 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.519 1.891 6.630 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.273 2.830 8.234 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.250 1.896 7.231 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.760 1.015 5.567 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.224 1.060 6.804 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.741 0.187 5.145 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.487 0.215 5.763 1.00 3.32 C ATOM 0 H TRP A 148 7.553 2.593 9.250 1.00 0.35 H new ATOM 0 HA TRP A 148 7.249 1.138 6.852 1.00 0.37 H new ATOM 0 HB2 TRP A 148 7.037 4.056 7.622 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.808 3.535 5.965 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.827 4.169 8.976 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.492 3.061 8.848 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.726 0.987 5.085 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.254 1.078 7.278 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.914 -0.494 4.325 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.709 -0.446 5.410 1.00 3.32 H new ATOM 2327 N ASP A 149 9.941 2.990 7.089 1.00 0.42 N ATOM 2328 CA ASP A 149 11.246 3.236 6.475 1.00 0.47 C ATOM 2329 C ASP A 149 11.960 1.924 6.190 1.00 0.47 C ATOM 2330 O ASP A 149 12.695 1.806 5.211 1.00 0.52 O ATOM 2331 CB ASP A 149 12.126 4.107 7.373 1.00 0.56 C ATOM 2332 CG ASP A 149 12.445 3.465 8.708 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.618 3.570 9.636 1.00 1.96 O ATOM 2334 OD2 ASP A 149 13.520 2.842 8.836 1.00 1.72 O ATOM 0 H ASP A 149 9.826 3.403 8.015 1.00 0.42 H new ATOM 0 HA ASP A 149 11.071 3.764 5.538 1.00 0.47 H new ATOM 0 HB2 ASP A 149 13.058 4.327 6.852 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.625 5.059 7.547 1.00 0.56 H new ATOM 2339 N THR A 150 11.732 0.942 7.044 1.00 0.47 N ATOM 2340 CA THR A 150 12.325 -0.367 6.861 1.00 0.51 C ATOM 2341 C THR A 150 11.740 -1.064 5.637 1.00 0.50 C ATOM 2342 O THR A 150 12.465 -1.694 4.871 1.00 0.56 O ATOM 2343 CB THR A 150 12.129 -1.258 8.099 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.697 -0.625 9.252 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.778 -2.617 7.886 1.00 0.67 C ATOM 0 H THR A 150 11.140 1.028 7.870 1.00 0.47 H new ATOM 0 HA THR A 150 13.394 -0.213 6.711 1.00 0.51 H new ATOM 0 HB THR A 150 11.060 -1.402 8.257 1.00 0.56 H new ATOM 0 HG1 THR A 150 13.005 -1.309 9.882 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.629 -3.234 8.772 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.325 -3.105 7.023 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.846 -2.487 7.710 1.00 0.67 H new ATOM 2353 N PHE A 151 10.433 -0.926 5.434 1.00 0.45 N ATOM 2354 CA PHE A 151 9.783 -1.540 4.283 1.00 0.47 C ATOM 2355 C PHE A 151 10.380 -0.961 3.013 1.00 0.48 C ATOM 2356 O PHE A 151 10.510 -1.636 1.998 1.00 0.55 O ATOM 2357 CB PHE A 151 8.271 -1.307 4.313 1.00 0.47 C ATOM 2358 CG PHE A 151 7.568 -1.835 3.094 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.374 -3.195 2.929 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.120 -0.974 2.105 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.741 -3.689 1.806 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.489 -1.464 0.978 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.300 -2.823 0.829 1.00 3.00 C ATOM 0 H PHE A 151 9.809 -0.400 6.046 1.00 0.45 H new ATOM 0 HA PHE A 151 9.951 -2.617 4.314 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.854 -1.783 5.200 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.076 -0.238 4.403 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.722 -3.879 3.689 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.266 0.090 2.216 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.592 -4.753 1.693 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.144 -0.784 0.214 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.807 -3.207 -0.052 1.00 3.00 H new ATOM 2373 N VAL A 152 10.753 0.298 3.108 1.00 0.45 N ATOM 2374 CA VAL A 152 11.453 0.996 2.053 1.00 0.49 C ATOM 2375 C VAL A 152 12.810 0.358 1.791 1.00 0.57 C ATOM 2376 O VAL A 152 13.138 -0.003 0.666 1.00 0.64 O ATOM 2377 CB VAL A 152 11.670 2.448 2.480 1.00 0.60 C ATOM 2378 CG1 VAL A 152 12.430 3.216 1.428 1.00 1.15 C ATOM 2379 CG2 VAL A 152 10.351 3.100 2.815 1.00 0.91 C ATOM 0 H VAL A 152 10.575 0.872 3.932 1.00 0.45 H new ATOM 0 HA VAL A 152 10.856 0.944 1.143 1.00 0.49 H new ATOM 0 HB VAL A 152 12.282 2.458 3.382 1.00 0.60 H new ATOM 0 HG11 VAL A 152 12.570 4.245 1.759 1.00 1.15 H new ATOM 0 HG12 VAL A 152 13.403 2.751 1.269 1.00 1.15 H new ATOM 0 HG13 VAL A 152 11.868 3.208 0.494 1.00 1.15 H new ATOM 0 HG21 VAL A 152 10.522 4.133 3.117 1.00 0.91 H new ATOM 0 HG22 VAL A 152 9.703 3.081 1.939 1.00 0.91 H new ATOM 0 HG23 VAL A 152 9.874 2.558 3.631 1.00 0.91 H new ATOM 2389 N GLU A 153 13.604 0.264 2.839 1.00 0.59 N ATOM 2390 CA GLU A 153 14.913 -0.365 2.777 1.00 0.69 C ATOM 2391 C GLU A 153 14.852 -1.721 2.069 1.00 0.70 C ATOM 2392 O GLU A 153 15.667 -2.019 1.196 1.00 0.80 O ATOM 2393 CB GLU A 153 15.450 -0.518 4.196 1.00 0.76 C ATOM 2394 CG GLU A 153 15.613 0.821 4.888 1.00 0.80 C ATOM 2395 CD GLU A 153 16.777 1.624 4.342 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.590 2.339 3.335 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.882 1.549 4.916 1.00 1.58 O ATOM 0 H GLU A 153 13.361 0.622 3.762 1.00 0.59 H new ATOM 0 HA GLU A 153 15.584 0.266 2.194 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.772 -1.145 4.775 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.412 -1.031 4.167 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.695 1.398 4.776 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.758 0.658 5.956 1.00 0.80 H new ATOM 2404 N LEU A 154 13.873 -2.525 2.453 1.00 0.67 N ATOM 2405 CA LEU A 154 13.668 -3.838 1.876 1.00 0.72 C ATOM 2406 C LEU A 154 13.038 -3.793 0.478 1.00 0.74 C ATOM 2407 O LEU A 154 13.638 -4.242 -0.498 1.00 0.83 O ATOM 2408 CB LEU A 154 12.763 -4.637 2.813 1.00 0.72 C ATOM 2409 CG LEU A 154 13.444 -5.225 4.049 1.00 0.83 C ATOM 2410 CD1 LEU A 154 14.168 -4.171 4.868 1.00 1.30 C ATOM 2411 CD2 LEU A 154 12.426 -5.949 4.908 1.00 1.14 C ATOM 0 H LEU A 154 13.197 -2.281 3.177 1.00 0.67 H new ATOM 0 HA LEU A 154 14.646 -4.306 1.762 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.950 -3.990 3.142 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.313 -5.452 2.246 1.00 0.72 H new ATOM 0 HG LEU A 154 14.197 -5.932 3.699 1.00 0.83 H new ATOM 0 HD11 LEU A 154 14.634 -4.640 5.734 1.00 1.30 H new ATOM 0 HD12 LEU A 154 14.935 -3.697 4.255 1.00 1.30 H new ATOM 0 HD13 LEU A 154 13.455 -3.418 5.203 1.00 1.30 H new ATOM 0 HD21 LEU A 154 12.921 -6.364 5.786 1.00 1.14 H new ATOM 0 HD22 LEU A 154 11.653 -5.249 5.224 1.00 1.14 H new ATOM 0 HD23 LEU A 154 11.972 -6.755 4.332 1.00 1.14 H new ATOM 2423 N TYR A 155 11.834 -3.243 0.389 1.00 0.69 N ATOM 2424 CA TYR A 155 11.004 -3.391 -0.805 1.00 0.78 C ATOM 2425 C TYR A 155 10.657 -2.037 -1.428 1.00 0.77 C ATOM 2426 O TYR A 155 9.696 -1.924 -2.192 1.00 1.15 O ATOM 2427 CB TYR A 155 9.721 -4.117 -0.407 1.00 0.86 C ATOM 2428 CG TYR A 155 9.223 -5.108 -1.434 1.00 1.40 C ATOM 2429 CD1 TYR A 155 9.805 -6.361 -1.564 1.00 1.83 C ATOM 2430 CD2 TYR A 155 8.173 -4.780 -2.281 1.00 2.24 C ATOM 2431 CE1 TYR A 155 9.353 -7.261 -2.508 1.00 2.65 C ATOM 2432 CE2 TYR A 155 7.715 -5.674 -3.227 1.00 3.16 C ATOM 2433 CZ TYR A 155 8.309 -6.944 -3.307 1.00 3.24 C ATOM 2434 OH TYR A 155 7.854 -7.805 -4.280 1.00 4.24 O ATOM 0 H TYR A 155 11.407 -2.688 1.131 1.00 0.69 H new ATOM 0 HA TYR A 155 11.559 -3.959 -1.551 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.891 -4.641 0.534 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.941 -3.378 -0.224 1.00 0.86 H new ATOM 0 HD1 TYR A 155 10.624 -6.636 -0.917 1.00 1.83 H new ATOM 0 HD2 TYR A 155 7.707 -3.809 -2.198 1.00 2.24 H new ATOM 0 HE1 TYR A 155 9.835 -8.222 -2.609 1.00 2.65 H new ATOM 0 HE2 TYR A 155 6.912 -5.401 -3.896 1.00 3.16 H new ATOM 0 HH TYR A 155 8.092 -7.455 -5.164 1.00 4.24 H new ATOM 2444 N GLY A 156 11.456 -1.031 -1.113 1.00 0.66 N ATOM 2445 CA GLY A 156 11.154 0.335 -1.493 1.00 0.64 C ATOM 2446 C GLY A 156 11.201 0.629 -2.972 1.00 0.78 C ATOM 2447 O GLY A 156 11.504 -0.229 -3.807 1.00 1.10 O ATOM 0 H GLY A 156 12.325 -1.139 -0.591 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.159 0.584 -1.123 1.00 0.64 H new ATOM 0 HA3 GLY A 156 11.857 0.997 -0.987 1.00 0.64 H new ATOM 2451 N ASN A 157 10.900 1.879 -3.263 1.00 0.70 N ATOM 2452 CA ASN A 157 10.813 2.400 -4.604 1.00 0.80 C ATOM 2453 C ASN A 157 12.199 2.548 -5.214 1.00 1.14 C ATOM 2454 O ASN A 157 12.969 3.424 -4.818 1.00 1.29 O ATOM 2455 CB ASN A 157 10.117 3.751 -4.522 1.00 0.70 C ATOM 2456 CG ASN A 157 9.972 4.448 -5.854 1.00 0.77 C ATOM 2457 OD1 ASN A 157 8.820 4.291 -6.478 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 10.877 5.150 -6.303 1.00 0.76 N flip ATOM 0 H ASN A 157 10.704 2.578 -2.547 1.00 0.70 H new ATOM 0 HA ASN A 157 10.251 1.718 -5.242 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.128 3.613 -4.086 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.677 4.396 -3.845 1.00 0.70 H new ATOM 0 HD21 ASN A 157 11.752 5.244 -5.788 1.00 0.76 H new ATOM 0 HD22 ASN A 157 10.752 5.638 -7.190 1.00 0.76 H new ATOM 2969 N GLY B1005 -13.122 -14.217 3.465 1.00 1.02 N ATOM 2970 CA GLY B1005 -12.548 -14.901 4.615 1.00 1.07 C ATOM 2971 C GLY B1005 -11.692 -16.110 4.220 1.00 1.05 C ATOM 2972 O GLY B1005 -10.664 -16.382 4.840 1.00 1.20 O ATOM 0 HA2 GLY B1005 -11.937 -14.199 5.182 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -13.351 -15.230 5.275 1.00 1.07 H new ATOM 2976 N ARG B1006 -12.142 -16.849 3.199 1.00 1.08 N ATOM 2977 CA ARG B1006 -11.378 -17.923 2.592 1.00 1.08 C ATOM 2978 C ARG B1006 -10.025 -17.439 2.097 1.00 1.04 C ATOM 2979 O ARG B1006 -8.981 -18.013 2.404 1.00 1.10 O ATOM 2980 CB ARG B1006 -12.156 -18.432 1.392 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.707 -19.770 0.876 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.740 -20.823 1.966 1.00 1.55 C ATOM 2983 NE ARG B1006 -10.575 -20.746 2.855 1.00 1.88 N ATOM 2984 CZ ARG B1006 -10.642 -20.796 4.187 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -11.808 -20.987 4.792 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -9.537 -20.671 4.914 1.00 2.87 N ATOM 0 H ARG B1006 -13.058 -16.709 2.773 1.00 1.08 H new ATOM 0 HA ARG B1006 -11.218 -18.699 3.341 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -13.211 -18.496 1.660 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -12.076 -17.701 0.587 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -12.350 -20.078 0.051 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.695 -19.687 0.478 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -12.650 -20.705 2.554 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -11.781 -21.812 1.510 1.00 1.55 H new ATOM 0 HE ARG B1006 -9.654 -20.648 2.427 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -12.658 -21.096 4.239 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -11.854 -21.024 5.810 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -8.636 -20.537 4.454 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -9.589 -20.709 5.932 1.00 2.87 H new ATOM 3000 N ALA B1007 -10.075 -16.384 1.311 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.918 -15.867 0.620 1.00 1.05 C ATOM 3002 C ALA B1007 -8.352 -14.678 1.371 1.00 1.02 C ATOM 3003 O ALA B1007 -8.519 -14.580 2.583 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.325 -15.465 -0.787 1.00 1.10 C ATOM 0 H ALA B1007 -10.930 -15.857 1.134 1.00 1.02 H new ATOM 0 HA ALA B1007 -8.145 -16.634 0.567 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.458 -15.073 -1.318 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.712 -16.336 -1.317 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -10.098 -14.698 -0.737 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.680 -13.791 0.638 1.00 0.84 N ATOM 3011 CA LEU B1008 -7.171 -12.530 1.174 1.00 0.83 C ATOM 3012 C LEU B1008 -6.107 -12.768 2.239 1.00 0.78 C ATOM 3013 O LEU B1008 -4.926 -12.560 1.982 1.00 0.79 O ATOM 3014 CB LEU B1008 -8.315 -11.658 1.704 1.00 0.90 C ATOM 3015 CG LEU B1008 -9.279 -11.110 0.634 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -8.512 -10.590 -0.565 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -10.292 -12.150 0.200 1.00 1.33 C ATOM 0 H LEU B1008 -7.472 -13.929 -0.351 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.694 -11.988 0.358 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.891 -12.241 2.423 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -7.886 -10.816 2.247 1.00 0.90 H new ATOM 0 HG LEU B1008 -9.827 -10.284 1.087 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -9.213 -10.208 -1.307 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -7.844 -9.788 -0.250 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.926 -11.399 -1.001 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.952 -11.722 -0.555 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.772 -13.012 -0.219 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.882 -12.465 1.061 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.531 -13.180 3.425 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.626 -13.663 4.451 1.00 0.78 C ATOM 3031 C ALA B1009 -4.615 -14.645 3.857 1.00 0.80 C ATOM 3032 O ALA B1009 -3.413 -14.383 3.807 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.398 -14.371 5.541 1.00 0.88 C ATOM 0 H ALA B1009 -7.513 -13.188 3.701 1.00 0.78 H new ATOM 0 HA ALA B1009 -5.102 -12.802 4.866 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.706 -14.728 6.304 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.109 -13.679 5.992 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.936 -15.218 5.115 1.00 0.88 H new ATOM 3039 N ALA B1010 -5.150 -15.772 3.377 1.00 0.89 N ATOM 3040 CA ALA B1010 -4.361 -16.865 2.803 1.00 0.94 C ATOM 3041 C ALA B1010 -3.418 -16.389 1.718 1.00 0.92 C ATOM 3042 O ALA B1010 -2.278 -16.841 1.625 1.00 0.92 O ATOM 3043 CB ALA B1010 -5.292 -17.921 2.221 1.00 1.03 C ATOM 0 H ALA B1010 -6.154 -15.952 3.376 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.760 -17.284 3.610 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.701 -18.732 1.795 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.934 -18.315 3.009 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.908 -17.473 1.441 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.891 -15.477 0.897 1.00 0.93 N ATOM 3050 CA PHE B1011 -3.137 -15.064 -0.264 1.00 0.93 C ATOM 3051 C PHE B1011 -2.390 -13.769 -0.004 1.00 0.85 C ATOM 3052 O PHE B1011 -1.792 -13.195 -0.908 1.00 0.89 O ATOM 3053 CB PHE B1011 -4.051 -14.932 -1.463 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.809 -16.189 -1.769 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -4.200 -17.251 -2.419 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -6.140 -16.300 -1.422 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.911 -18.398 -2.715 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -6.856 -17.438 -1.719 1.00 1.32 C ATOM 3059 CZ PHE B1011 -6.244 -18.488 -2.365 1.00 1.46 C ATOM 0 H PHE B1011 -4.790 -15.010 1.012 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.394 -15.832 -0.478 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.759 -14.123 -1.285 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.459 -14.651 -2.334 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -3.159 -17.181 -2.697 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.627 -15.483 -0.910 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -4.426 -19.221 -3.218 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -7.898 -17.507 -1.445 1.00 1.32 H new ATOM 0 HZ PHE B1011 -6.805 -19.381 -2.598 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.419 -13.311 1.238 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.507 -12.266 1.642 1.00 0.72 C ATOM 3071 C GLY B1012 -0.132 -12.853 1.780 1.00 0.73 C ATOM 3072 O GLY B1012 0.881 -12.154 1.795 1.00 0.78 O ATOM 0 H GLY B1012 -3.052 -13.641 1.966 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.503 -11.463 0.905 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.828 -11.829 2.588 1.00 0.72 H new ATOM 3076 N ASP B1013 -0.131 -14.172 1.860 1.00 0.78 N ATOM 3077 CA ASP B1013 1.076 -14.975 1.823 1.00 0.86 C ATOM 3078 C ASP B1013 1.670 -15.008 0.401 1.00 0.93 C ATOM 3079 O ASP B1013 2.744 -15.562 0.179 1.00 1.06 O ATOM 3080 CB ASP B1013 0.728 -16.384 2.328 1.00 0.98 C ATOM 3081 CG ASP B1013 1.856 -17.384 2.192 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.745 -17.401 3.067 1.00 1.48 O ATOM 3083 OD2 ASP B1013 1.839 -18.177 1.226 1.00 1.90 O ATOM 0 H ASP B1013 -0.984 -14.723 1.954 1.00 0.78 H new ATOM 0 HA ASP B1013 1.839 -14.539 2.467 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.437 -16.321 3.376 1.00 0.98 H new ATOM 0 HB3 ASP B1013 -0.138 -16.752 1.778 1.00 0.98 H new ATOM 3088 N CYS B1014 0.980 -14.371 -0.555 1.00 0.93 N ATOM 3089 CA CYS B1014 1.448 -14.292 -1.934 1.00 1.06 C ATOM 3090 C CYS B1014 2.805 -13.606 -1.986 1.00 1.08 C ATOM 3091 O CYS B1014 3.675 -13.969 -2.775 1.00 1.44 O ATOM 3092 CB CYS B1014 0.465 -13.488 -2.778 1.00 1.12 C ATOM 3093 SG CYS B1014 0.746 -13.643 -4.563 1.00 1.34 S ATOM 0 H CYS B1014 0.090 -13.901 -0.390 1.00 0.93 H new ATOM 0 HA CYS B1014 1.529 -15.306 -2.327 1.00 1.06 H new ATOM 0 HB2 CYS B1014 -0.549 -13.814 -2.549 1.00 1.12 H new ATOM 0 HB3 CYS B1014 0.533 -12.437 -2.498 1.00 1.12 H new ATOM 0 HG CYS B1014 -0.384 -13.874 -5.162 1.00 1.34 H new